#DEFINITION	Reference Metabolome for Kadsura longipedunculata
#IDENTTFIER	RefMeta-Kadsura longipedunculata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Kadsura longipedunculata
#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 Kadsura longipedunculata 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	1003.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62478	6.1
75.01458	0.8
79.05461	2.4
80.04989	0.9
81.03395	2.2
82.06566	1.5
85.02893	5.1
91.05463	2.0
92.31319	0.9
93.05762	1.5
93.07019	2.5
94.06537	6.5
95.04951	1.0
95.07346	3.5
96.08115	10.2
97.02868	2.8
97.06477	1.1
103.05473	1.1
106.06543	4.0
107.07327	2.2
108.04448	1.5
108.08107	13.7
110.05999	1.3
110.09666	14.0
116.04977	1.3
120.04433	3.1
120.08098	13.5
122.06008	13.9
122.09675	4.0
123.06780	0.9
124.07570	6.9
127.03918	1.8
132.08055	1.1
134.05989	2.3
134.09659	1.2
136.07558	18.0
137.08272	0.7
138.05528	1.3
138.09120	23.9
141.32648	0.7
144.04446	1.7
144.08046	1.1
146.05998	18.3
148.07542	12.8
150.09116	12.9
152.07050	13.2
160.03943	1.4
160.07448	1.1
162.05505	2.8
164.07042	10.2
166.08614	62.4
167.08891	1.0
172.03915	18.8
173.04247	1.2
174.05426	1.6
176.07042	2.4
182.08105	3.4
182.09529	0.8
190.04955	16.7
192.06523	1.0
197.10600	1.6
198.11526	2.9
199.12349	1.6
204.06534	25.8
205.06812	1.4
209.10780	1.6
210.11444	3.3
211.08624	0.8
211.12207	4.8
212.09212	0.9
212.12929	1.3
213.13707	1.3
218.08130	2.7
220.09740	1.1
222.11536	0.9
222.40442	0.8
223.08611	0.9
223.12160	5.3
224.09344	1.1
224.13014	1.9
225.10197	4.9
225.13799	3.0
226.10989	2.3
227.11743	3.7
234.11278	0.9
235.08643	2.6
235.12329	2.0
236.09399	1.8
236.12901	1.2
237.10184	6.1
237.13812	2.8
238.10887	5.6
239.11758	10.7
240.12424	1.8
241.13353	2.5
246.07413	0.9
248.09361	1.7
249.10197	11.0
250.10947	9.1
251.09056	1.4
251.11768	15.8
252.12488	4.8
253.09755	2.2
253.13318	8.0
255.11276	4.2
257.12827	2.6
259.14572	1.0
263.11746	31.7
264.08774	3.2
264.12463	9.0
265.09741	6.4
265.13327	14.9
266.10461	3.8
266.13718	1.9
267.11218	9.1
267.14188	1.3
268.11530	1.0
269.12729	4.8
271.10745	1.6
271.14554	4.2
273.12262	4.2
275.11737	1.9
276.12613	0.9
277.09686	4.6
278.10419	5.9
279.11224	24.3
280.11975	3.2
281.12799	15.1
282.10138	2.0
282.13278	1.4
283.10742	5.0
283.13876	1.2
284.11490	3.3
285.12314	12.6
286.12585	1.1
287.13840	2.7
290.10345	1.2
291.07950	1.8
291.11221	35.0
292.11990	7.2
293.12781	27.4
294.13120	1.0
295.10809	6.7
296.11581	3.2
297.12280	40.2
298.12854	4.6
299.13864	22.2
300.14423	1.0
301.15384	1.1
305.14981	1.9
307.10886	4.8
309.12299	21.8
310.12750	2.1
311.10223	3.3
311.13748	17.1
311.17142	1.3
312.11081	0.9
312.14554	1.1
313.11792	1.4
313.15475	1.2
315.13358	14.8
316.13858	1.2
319.10706	20.5
321.12167	4.5
323.10324	7.3
323.16187	1.9
325.11780	32.2
326.12152	1.6
327.13498	4.9
330.15891	1.0
335.13553	1.1
337.11777	100.0
338.12143	4.2
339.13367	5.9
341.11121	3.2
343.12805	4.0
351.13263	2.7
355.12949	3.7
357.14410	12.3
358.15198	2.0
369.14304	8.3
370.15323	1.9
371.15851	3.2
372.17169	1.4
373.13901	2.8
388.16461	1.3
390.17896	0.9
399.15582	1.7
401.13382	6.9
404.19620	2.5
416.15787	1.9
418.21008	2.7
422.15851	1.1
428.20013	1.4
430.17584	3.3
432.19058	2.0
444.19247	3.8
446.21237	4.5
448.17844	1.4
448.23065	1.1
449.19223	1.7
450.20410	4.5
453.64166	1.0
458.17062	3.4
459.17624	1.9
461.19128	1.5
462.20242	6.2
464.22028	20.0
465.22345	1.8
472.18423	4.3
474.20377	1.7
476.17996	4.0
481.16119	1.9
482.18866	2.2
487.17215	4.8
490.19684	42.1
491.19955	2.7
492.21136	1.0
494.19180	2.2
508.20715	5.1
514.21405	3.0
519.19098	1.1
522.22321	22.8
526.21960	1.4
603.27765	3.2
608.25037	1.3
611.24762	7.7
612.25323	1.4
624.24615	1.0
626.27051	31.7
627.26154	1.2
629.26050	16.4
630.25067	1.1
634.23999	5.2
636.25928	1.0
643.27100	1.9
647.27039	50.6
648.27313	2.4
652.24933	88.8
653.25165	5.1
654.26288	1.3
661.27563	2.9
670.25751	2.4
679.29572	18.8
680.29779	1.9
684.27509	40.3
685.27667	3.1
749.28906	0.9
773.30243	3.5
791.30896	6.5
796.29279	2.3
805.31818	1.2
809.17920	1.8
809.32239	33.0
810.32208	2.0
814.30090	8.5
841.20386	1.1
841.34912	15.0
971.36658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
56.04806	1.7
56.05029	16.5
56.96550	7.0
57.04558	2.6
57.18747	2.0
57.38827	1.7
58.96156	2.1
58.99844	2.2
59.06120	29.6
59.99915	2.9
60.04509	8.6
60.95832	5.5
60.99610	2.8
70.77163	2.2
70.77502	3.9
72.06909	1.8
78.00970	2.6
78.09679	1.9
79.01835	2.3
81.65001	1.7
82.01455	2.1
83.01518	5.3
83.04942	2.1
83.06095	3.6
84.01151	4.0
84.04507	4.6
100.02467	9.4
101.00883	18.6
101.02549	33.8
101.07104	7.7
102.02220	12.3
118.03611	2.2
119.01911	100.0
119.03598	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	1014.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	0.9
73.02921	0.5
74.00675	1.3
76.02219	35.0
76.03989	2.6
79.05481	6.9
80.04991	1.0
80.27254	0.2
81.03408	40.2
81.07048	6.9
82.03731	0.5
83.04971	2.4
83.06102	0.9
83.08608	8.2
84.04491	10.3
85.02901	1.0
85.04013	3.3
85.06527	0.6
86.00648	0.5
86.99046	1.4
88.02209	1.0
91.05471	9.3
92.01691	1.2
93.07030	4.3
95.04958	12.9
95.08587	2.3
96.05258	0.3
97.01121	0.7
97.02353	0.3
97.02867	1.6
97.06512	1.0
97.10170	1.7
97.76981	0.2
98.00606	0.3
98.21451	0.4
100.02167	0.4
102.05518	0.4
103.05453	0.4
105.06349	0.5
105.07021	6.3
107.04964	3.4
107.08586	2.3
109.02858	0.3
109.06511	2.7
109.10146	0.7
111.02644	0.5
111.04424	0.7
111.08061	2.9
112.02181	0.3
112.03957	0.8
113.00582	0.5
113.01302	0.2
113.03505	0.8
114.03696	0.3
115.05456	0.7
116.01665	10.3
117.07017	1.1
119.04934	0.4
119.08561	6.8
121.06480	1.6
121.10150	2.7
123.04421	0.7
123.08044	1.0
123.11700	0.5
124.02193	0.3
125.09631	0.9
127.03873	0.3
128.06242	0.6
129.07019	4.8
130.04985	8.8
131.04503	2.2
131.08548	4.6
133.06464	1.7
133.10100	2.1
135.08038	0.9
137.04190	0.3
137.05986	0.5
137.09610	0.5
138.03737	0.3
140.01646	0.3
141.04753	0.5
142.03209	5.6
142.07707	1.4
143.08513	0.4
144.01132	5.8
145.06030	1.5
145.10081	1.0
146.02719	0.4
147.04387	0.6
147.08025	2.2
147.11665	3.9
149.03754	0.4
149.09621	3.0
153.09119	0.3
155.08504	0.4
157.06544	0.4
157.10126	5.3
159.11639	0.5
160.00580	0.6
161.05931	0.3
162.02184	21.2
163.11198	0.8
165.12727	1.0
170.02698	1.9
171.07848	0.3
173.09682	0.4
175.11162	5.2
177.03282	7.7
177.12700	0.3
179.04832	33.9
181.05994	0.7
185.03767	1.4
187.05334	1.4
191.10649	0.3
193.12221	16.4
194.12555	0.4
205.12189	0.5
211.13190	1.5
215.04849	1.4
216.03249	0.4
219.13814	0.3
223.13278	0.4
224.10950	0.4
231.04282	1.2
231.13768	0.3
233.05870	10.2
233.15347	0.3
234.06168	0.4
235.13260	0.3
245.05864	2.3
249.14870	1.0
250.12637	1.1
266.11905	0.3
267.15884	53.7
268.13675	0.4
268.16248	1.7
273.05347	0.3
273.14871	0.3
276.15765	0.5
288.06433	1.1
289.04504	0.3
290.07971	0.9
291.06409	2.0
293.17380	0.4
301.14529	0.3
306.07483	0.9
308.09067	100.0
309.09351	2.2
309.16833	0.8
325.15646	0.3
341.10236	0.4
367.22610	1.0
385.23532	1.9
386.09860	0.4
396.20615	0.3
403.24631	0.3
434.12000	0.3
441.26370	0.7
452.13199	0.5
459.27350	24.3
460.27563	1.3
470.14252	1.1
477.28427	6.5
491.30090	0.5
501.28177	1.3
552.29681	0.4
555.28961	0.4
567.29169	1.1
588.31561	0.4
637.31305	1.7
655.32336	1.2
691.31921	0.4
709.33093	0.7
766.35724	2.7
784.23468	0.4
784.36719	6.6
785.36218	0.4
802.37640	0.5
817.37445	0.5
946.42029	2.8
977.92566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04964	0.8
71.54144	0.6
76.02215	57.4
76.03980	1.9
79.05479	14.7
80.04980	0.8
81.03403	27.1
81.06569	0.9
81.07041	16.2
83.04945	1.6
83.08602	5.4
84.04490	16.0
85.02877	1.5
85.04030	0.5
85.06507	0.5
86.99043	2.3
88.02184	0.6
91.03891	0.5
91.05466	11.4
93.07024	12.6
95.04953	9.6
95.08592	11.3
97.02872	1.4
97.06509	1.3
97.10148	1.2
102.05523	0.6
105.04527	0.5
105.07015	6.5
107.04927	2.0
107.08578	7.0
109.06485	1.2
109.10126	4.0
111.08062	2.0
114.03706	0.7
115.05430	1.0
116.00866	0.9
116.01658	16.4
116.06169	0.6
116.80297	0.4
117.06991	2.4
119.08543	6.8
120.08911	0.5
121.06480	0.7
121.10132	6.0
123.08029	0.6
123.11662	1.3
125.09566	1.1
129.06996	4.2
130.04970	9.4
131.08545	5.1
133.06445	0.7
133.10115	3.3
135.11676	3.8
137.09508	0.6
142.03189	7.8
142.07774	0.7
143.08511	0.5
144.00085	0.9
144.01125	10.6
145.06108	0.9
145.10106	2.5
146.02733	0.5
147.07999	1.0
147.11661	3.9
149.09592	1.5
149.13222	1.5
155.08588	0.5
157.10078	3.1
159.11623	2.1
161.13245	1.0
162.02171	30.6
163.11128	0.9
163.14871	0.9
163.34631	0.5
165.12663	0.6
170.02692	2.9
171.11642	0.5
173.13197	1.8
175.11182	2.4
177.03310	2.5
179.04823	53.8
187.05292	2.4
187.14719	0.6
193.12216	7.0
199.05246	0.6
211.13211	0.8
215.04826	1.9
227.04840	0.7
227.12758	0.9
233.05872	13.5
243.21104	1.4
245.05835	3.3
249.14893	0.8
261.22086	4.9
267.15875	26.2
268.16214	1.0
290.07959	1.1
291.06372	2.0
301.25308	0.7
308.09055	100.0
309.09433	2.2
309.16943	0.6
317.24768	0.6
335.25729	18.2
336.26019	0.8
341.10165	0.7
435.32394	1.1
452.13550	0.6
453.33481	1.6
470.14648	0.7
527.37225	11.8
528.37030	0.7
545.38367	5.5
697.15228	0.5
811.07532	0.5
834.44904	0.7
852.45984	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.1
51.02374	3.7
51.45547	0.6
53.03940	28.4
54.25216	0.7
55.01853	1.9
56.02940	0.6
56.05033	3.4
56.96563	1.5
57.03415	1.7
57.04516	0.9
57.05347	2.9
58.02952	1.0
58.06585	5.0
59.06118	7.5
60.04502	1.8
60.08153	1.3
60.95849	1.2
62.05773	0.9
62.06079	9.9
69.20606	6.4
73.07668	1.3
74.06027	0.8
75.05589	1.8
77.03915	5.3
80.42313	0.6
81.03398	2.5
85.02896	3.7
85.04782	0.7
85.07655	2.3
86.06054	6.2
95.04955	44.6
102.04671	5.6
103.03983	6.9
103.05453	100.0
103.08690	17.6
104.05799	1.6
104.10726	2.7
105.04510	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.4
53.03941	26.2
54.63810	0.7
55.01862	1.3
56.05018	1.3
58.02963	0.7
58.06587	1.2
59.06121	6.1
60.04507	1.2
60.06441	0.6
60.08147	2.5
62.06078	1.8
64.52468	0.6
70.01562	0.6
70.68909	1.9
73.07673	0.7
77.03922	4.4
81.03413	2.0
85.02904	1.0
86.06040	1.9
95.04958	43.4
96.05293	1.1
102.04670	4.5
103.05457	100.0
103.08684	4.3
104.05814	1.0
104.10733	3.1
105.04492	11.2
114.50896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33304	2.0
71.57549	3.2
72.04501	4.4
74.00643	6.4
76.02213	22.5
76.03973	6.4
77.88741	1.8
79.05473	17.1
80.05008	11.9
81.03410	38.7
81.05772	2.7
81.07045	15.1
82.06535	2.7
83.04964	4.9
83.06081	7.1
83.08617	10.9
84.04494	54.8
84.06699	1.9
85.01119	53.6
85.02908	10.0
85.04003	5.0
86.00642	36.0
86.99043	54.4
88.02201	5.3
91.05466	19.2
92.01694	3.1
93.07026	11.7
94.06496	1.9
95.04951	17.5
95.08621	9.6
96.04483	4.4
97.01124	14.7
97.02853	7.9
97.06518	2.2
97.10131	5.3
98.00615	7.9
98.06042	4.5
99.05521	4.1
100.02187	8.5
102.03745	42.4
102.05539	26.6
105.07008	12.2
106.06500	2.1
107.04951	10.2
107.06032	2.4
107.08568	7.4
108.04429	3.7
109.06481	3.1
109.07638	5.1
109.10173	11.2
110.06018	2.3
111.08057	4.1
111.73351	2.4
112.02185	37.5
112.03942	5.0
113.00575	9.0
114.03733	19.4
114.05479	2.2
116.01659	25.6
117.07014	3.9
119.08556	12.2
121.06470	3.5
121.10124	4.4
122.05975	2.9
123.04376	4.5
123.08051	3.9
124.02134	5.8
125.09593	4.9
126.03729	4.3
126.05486	4.5
128.07022	3.1
129.06651	9.4
130.03233	15.9
130.04973	30.2
131.04497	3.2
131.08553	8.3
132.01036	2.2
133.06403	1.9
133.10101	7.2
134.05997	4.0
135.04349	4.1
140.01630	4.8
142.03206	49.0
142.04930	4.5
143.02724	41.0
143.04457	2.7
144.01137	9.6
145.06085	6.4
145.10089	4.5
147.04419	7.1
147.07974	5.5
147.11629	7.0
149.09612	4.2
151.03906	2.2
152.01593	2.6
153.06558	5.6
155.08159	9.3
156.06497	8.8
157.10066	7.0
158.02676	9.1
161.05949	3.0
162.02155	12.7
163.11142	3.0
168.04811	9.3
169.04286	7.8
170.02718	5.9
171.02242	8.7
173.09236	5.9
175.03896	2.7
175.11186	9.8
177.03256	17.0
179.04822	20.3
181.04533	2.2
181.06036	9.8
185.03725	6.3
187.05409	2.8
188.03807	10.1
189.03267	94.3
191.10562	2.3
193.12230	18.7
196.04184	9.8
199.05318	4.1
199.07060	4.0
205.06375	32.7
211.13191	5.2
215.04807	41.0
217.06459	3.2
217.12247	2.6
223.07849	4.3
224.03766	3.7
227.04822	2.7
229.14307	3.6
231.04268	8.7
233.05896	37.8
241.06436	4.1
243.04248	2.1
245.05934	14.1
248.10959	2.8
249.14963	2.3
259.07397	4.6
265.03354	2.1
266.12021	10.9
267.15881	40.7
269.06012	2.5
275.10834	2.7
283.15433	2.1
285.16852	4.6
287.06891	13.7
287.12631	4.6
299.06989	2.6
306.07550	5.2
307.08337	5.4
308.09097	14.7
309.09512	1.9
315.12305	2.4
323.14240	2.2
330.20709	2.3
333.13190	4.1
334.10583	29.2
345.07507	2.9
351.13947	3.0
362.10138	62.7
369.14859	2.9
407.16830	5.7
434.53226	2.2
443.18439	3.3
459.27158	2.3
461.19458	2.5
473.29587	2.2
557.27478	3.7
578.28845	2.5
599.28772	13.8
617.29321	14.4
635.30481	28.2
653.31244	25.9
671.32196	17.8
689.33105	19.0
725.32599	4.8
743.33319	6.6
777.00525	2.3
782.34607	4.2
800.36359	21.9
801.35797	2.7
818.37238	100.0
819.37097	8.8
962.43115	3.7
980.42554	25.8
981.42572	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	1032.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00662	0.5
76.02212	48.2
76.03970	2.0
79.05477	14.0
80.05005	1.1
81.03401	24.8
81.07040	16.1
82.03719	0.4
83.04964	1.7
83.06090	1.0
83.08605	5.5
84.04484	12.9
85.02868	1.5
85.04017	1.1
85.06544	0.7
86.00665	0.4
86.99046	2.4
88.02213	1.0
91.05461	11.6
92.01666	0.5
93.07024	14.6
94.60199	0.3
95.04950	9.6
95.08584	11.6
96.08919	0.4
96.76816	0.3
97.02879	1.3
97.06508	1.0
97.10156	1.2
100.02159	0.4
101.38432	0.3
105.07007	8.1
106.31509	0.3
107.04911	1.8
107.08575	7.8
109.06496	1.8
109.10126	5.0
111.08082	1.6
112.08337	0.3
113.03432	0.3
114.03732	0.4
115.05436	0.5
116.01656	15.0
117.07020	2.4
119.08553	6.7
121.06476	1.3
121.10119	7.1
122.10518	0.4
123.04367	0.5
123.08038	0.8
123.11638	1.7
124.02108	0.3
125.09591	1.1
129.07011	3.4
130.04976	8.1
130.07758	0.4
131.04509	0.8
131.08527	5.0
133.06485	0.9
133.10089	3.9
135.11667	3.4
137.09593	1.0
137.13161	0.6
141.04834	0.6
142.03195	6.3
142.07750	0.7
143.08507	0.6
144.01115	8.6
145.06113	1.1
145.10089	2.9
147.08035	1.0
147.11674	3.5
149.09584	1.9
149.13248	2.6
155.08585	0.4
157.10118	2.9
159.11668	1.5
161.13252	1.6
162.02170	26.3
163.11104	0.8
163.14804	1.0
165.12779	0.7
170.02678	2.3
173.13187	1.7
175.11116	3.1
175.14764	0.5
177.03256	2.8
179.04819	43.8
180.05161	0.5
185.03773	0.7
187.05327	2.1
187.14835	0.8
189.05424	0.4
189.11131	0.4
189.16466	0.4
193.12201	7.4
199.05409	0.5
205.06380	0.4
211.13188	0.6
215.04851	1.9
227.04921	0.5
227.12686	0.8
233.05858	12.5
235.13200	0.4
243.21112	1.4
245.05855	2.6
249.14671	0.5
261.22110	5.8
267.15869	24.0
268.16241	0.5
276.15936	0.4
279.23065	0.5
285.16827	0.4
289.04852	0.4
290.07980	1.0
291.06406	1.4
301.25302	0.7
308.09039	100.0
309.09344	3.2
317.24707	0.9
335.25732	22.6
336.26056	1.2
345.14856	0.3
350.10056	0.5
386.10034	0.5
435.32599	0.8
445.81046	0.3
453.33667	1.5
470.14249	0.9
471.34750	0.9
527.37219	12.2
528.37592	1.2
545.38281	6.4
546.38495	0.7
547.84595	0.4
569.38031	0.7
656.41718	0.4
723.41034	0.4
834.44641	0.6
852.46753	1.7
942.19391	0.3
1014.50958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01133	0.3
74.00645	0.6
76.02218	46.4
76.03983	1.9
77.03948	0.3
79.05481	10.5
80.05000	0.8
81.03409	22.7
81.07047	14.6
83.04977	1.4
83.06099	0.9
83.08603	5.4
84.04489	11.9
85.02885	1.5
85.04021	1.2
85.06541	0.5
86.99046	2.0
88.02208	1.1
91.05467	9.6
92.01662	0.4
92.05811	0.4
93.07030	11.4
95.04958	8.1
95.05548	0.6
95.08593	9.7
97.01112	0.5
97.02895	1.6
97.06525	1.1
97.10151	1.0
99.04433	0.2
99.05561	0.3
100.02179	0.6
102.05525	0.4
105.04510	0.6
105.07013	6.9
106.02493	0.3
107.04944	1.7
107.08586	5.4
109.02898	0.3
109.06487	1.3
109.10144	4.1
111.04411	0.6
111.08064	1.7
112.07587	0.8
113.03471	0.4
114.03756	0.6
115.05470	0.6
116.01663	14.2
117.07024	1.7
119.08568	5.5
121.06489	0.8
121.10128	5.6
123.04397	0.4
123.08055	0.9
123.11675	1.3
125.09619	0.7
129.07030	2.4
130.04982	8.9
131.04480	0.5
131.08540	5.1
133.06519	0.9
133.10123	3.5
135.08038	0.5
135.11674	3.4
137.09601	0.5
141.04799	0.6
142.03203	6.6
142.07809	0.6
143.08539	0.3
144.01118	6.9
145.06081	0.9
145.10103	2.1
146.02649	0.4
147.08028	1.1
147.11658	3.6
149.09605	1.5
149.13249	1.7
151.11151	0.3
157.10118	3.1
159.11656	1.8
161.13254	1.2
162.02179	25.5
162.64522	0.4
163.02515	0.3
163.11121	0.6
163.14842	0.4
165.12759	0.5
170.02664	2.3
171.11693	0.3
173.13245	1.0
175.11180	3.1
175.14812	0.3
177.03265	2.3
179.04829	46.3
180.05177	0.6
181.05995	0.6
184.07388	0.3
185.03748	0.5
185.13148	0.3
186.02348	0.2
187.05339	1.5
187.14713	0.4
188.03658	0.4
189.11166	0.3
193.12234	6.6
199.05284	0.7
199.14717	0.3
205.06381	0.4
211.13228	0.8
215.04861	1.6
216.03236	0.6
227.12775	0.9
231.04385	0.4
233.05873	13.6
235.13271	0.3
243.21109	1.0
245.05901	2.4
249.14886	0.7
261.22137	4.9
267.15878	23.0
268.16257	0.8
273.18597	0.3
290.07980	1.2
291.06400	1.5
301.14279	0.3
301.25241	0.9
308.09058	100.0
309.09335	2.6
309.16937	0.3
317.24844	0.5
335.25742	17.0
336.26007	0.8
341.09973	0.4
435.27151	0.5
435.32507	0.8
452.13214	0.5
453.33621	1.5
464.30151	0.3
470.14334	0.9
471.34595	0.4
527.37225	9.9
528.37640	0.8
545.30261	0.5
545.38275	6.3
546.38220	0.7
569.38434	0.4
705.41138	0.4
723.41241	0.7
777.42932	0.3
834.45459	0.5
852.46545	2.5
1014.51208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39141	0.2
58.06592	5.7
59.07374	1.5
60.08158	52.8
61.08490	0.5
67.60777	0.2
69.31848	2.0
69.32172	0.3
97.60660	0.3
98.45998	0.2
104.10734	100.0
105.11056	1.5
108.15936	0.2
118.80833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00636	4.8
76.02225	18.9
76.03982	7.2
79.05477	16.2
80.04977	9.5
81.03402	7.8
81.05785	4.1
81.07048	20.1
83.04974	3.4
83.06089	6.9
83.08655	3.8
83.11187	1.9
84.04018	3.4
84.04493	45.7
85.01118	49.9
85.02889	3.5
85.03986	2.5
86.00631	34.1
86.99044	46.9
87.02688	3.9
88.02204	5.8
91.05481	12.5
93.07027	16.9
95.04955	5.6
95.08582	12.8
96.04473	6.6
97.01091	9.8
97.02866	2.1
97.06544	2.9
97.10135	4.7
98.00627	8.2
98.06045	2.4
99.05572	5.2
100.02181	8.9
101.59901	2.1
102.03753	32.3
102.05529	19.1
105.07014	8.9
107.04936	2.8
107.08583	8.6
108.04469	2.0
109.06493	2.1
109.07612	5.4
109.10149	5.9
110.40033	1.8
112.02166	27.1
112.03976	4.0
113.00579	7.0
114.03745	15.7
114.05505	2.7
116.01662	27.6
117.06982	2.9
119.08559	6.2
121.10126	7.8
124.02168	3.6
125.09603	4.9
126.03744	3.0
128.07109	2.0
129.06628	6.5
130.03241	16.4
130.04979	27.4
131.08563	5.6
132.01135	4.0
133.10092	6.9
135.11658	4.8
138.31339	1.8
139.66035	2.0
140.01640	4.9
142.03203	50.6
143.02724	33.6
144.01155	5.7
145.06078	5.5
145.10118	4.7
147.11688	2.9
153.06546	5.2
155.08157	7.1
156.06544	7.0
158.02678	8.6
160.04243	2.8
162.02205	12.2
168.04781	7.2
169.04311	6.8
170.02742	9.7
171.02226	9.1
173.09242	3.0
176.07088	2.5
177.03299	10.4
179.04834	16.9
181.06017	4.6
184.07434	2.9
185.03757	3.2
188.03731	7.0
189.03259	100.0
193.12183	3.7
196.04251	12.7
199.05379	3.7
199.07248	2.1
205.06409	35.2
207.79535	2.0
208.06023	2.8
215.04816	41.4
217.06438	4.9
224.03683	4.8
227.04884	3.6
231.04362	5.5
232.05090	3.2
233.05888	34.0
241.06323	5.1
243.04402	2.5
245.05916	18.5
257.72897	2.0
259.07462	8.0
266.12103	9.1
267.15839	3.9
269.05807	3.7
274.10242	2.1
275.11026	2.5
284.13110	2.3
287.06927	16.5
294.80151	1.9
299.06854	4.7
306.07529	4.1
307.08105	4.6
308.08994	6.0
334.10638	22.9
335.25699	19.3
341.15228	3.0
345.07199	2.7
362.10132	59.8
392.11383	3.7
443.18265	3.0
539.34607	2.5
559.36145	6.0
683.26276	2.3
703.38690	2.4
710.06458	2.5
721.40527	12.8
739.41638	12.1
757.42859	12.1
775.43030	2.3
793.42267	5.2
804.86615	2.3
811.43219	6.5
868.46246	15.4
886.47162	43.3
887.46893	2.8
1048.50452	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	1048.525
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00646	4.7
74.02433	1.6
76.02223	23.1
76.04000	10.5
76.61666	1.3
79.05480	19.7
80.04998	11.2
81.03410	10.6
81.05772	2.9
81.07045	20.9
82.06577	4.5
83.04976	3.1
83.06082	11.6
83.08610	3.5
83.19444	1.5
84.04493	55.7
85.01118	58.4
85.02891	4.5
85.04024	5.3
86.00112	2.4
86.00640	38.6
86.99041	56.0
87.02676	2.9
88.02201	5.4
91.05471	13.1
92.01692	2.3
93.07030	16.5
95.04955	5.4
95.08591	12.3
96.04469	5.3
97.01115	15.9
97.02864	4.5
97.10149	2.7
98.00632	6.5
98.06025	4.3
98.21481	4.8
98.93991	1.8
99.02660	1.9
99.05560	4.9
100.02200	10.0
102.03758	38.6
102.05527	24.7
105.07014	10.1
107.04905	4.1
107.06048	2.1
107.08584	8.1
108.04474	2.8
109.05222	1.6
109.06568	2.3
109.07626	6.0
109.10143	7.6
110.06020	2.6
111.08054	1.6
112.02178	31.4
112.03934	6.6
113.00579	6.3
114.00069	2.4
114.03736	16.8
114.05492	2.9
115.02125	1.7
116.01671	32.2
117.07007	3.2
118.06523	1.5
119.08549	3.5
121.06541	1.7
121.10128	6.9
123.08044	2.0
124.02174	5.4
125.00578	1.8
125.09606	2.8
126.03738	2.7
126.05532	3.9
127.05083	1.8
129.06546	11.5
130.03218	15.9
130.04970	35.6
131.01637	1.9
131.04483	3.9
131.08557	5.6
132.01138	3.7
133.03995	1.6
133.10110	5.4
134.05977	2.9
135.11667	4.5
136.03926	2.5
138.05481	1.8
139.02087	1.5
139.03177	1.3
140.01633	5.9
142.03201	46.9
142.04973	3.3
143.02724	39.0
143.04462	2.5
144.01135	7.6
145.06070	8.9
145.10110	5.2
147.11668	4.2
149.09668	2.3
149.13254	2.3
152.01640	3.0
153.06566	6.7
155.08134	11.7
156.06538	10.5
157.10109	1.9
158.02676	8.3
159.11633	2.0
161.13232	2.2
162.02213	14.6
162.05524	2.9
163.11200	2.2
167.16508	1.6
168.04781	10.0
168.06277	1.9
169.04242	8.3
170.02664	7.6
171.02228	7.8
171.11676	2.8
172.04303	1.7
173.09329	4.5
177.03282	28.2
179.04834	18.2
181.06067	8.2
181.12268	1.8
184.06035	2.6
185.03793	5.2
186.02197	1.9
187.05377	2.2
188.03795	7.1
189.03259	100.0
191.10774	1.7
193.12222	2.6
196.04274	15.6
197.03815	1.7
199.05287	3.9
199.07181	4.6
199.13264	2.2
205.06409	40.0
208.05966	2.9
215.04825	46.5
217.06297	4.0
224.03755	3.8
227.04897	6.0
227.12697	2.6
231.04356	6.9
231.08064	2.0
232.05110	3.0
233.05901	37.7
241.06380	4.0
243.04295	2.4
245.05864	22.6
259.07355	8.9
259.20673	1.9
261.22226	1.9
266.12143	7.2
267.15875	6.9
269.05856	2.8
275.10889	2.0
283.15356	1.7
284.13174	3.1
287.06912	17.5
288.06491	3.3
291.19492	4.1
294.11417	2.4
299.06821	4.2
306.07526	10.5
307.08240	7.4
308.09012	9.7
316.09500	1.8
317.08127	1.8
324.08966	1.7
334.10614	30.2
335.25742	25.9
336.26028	2.0
340.15811	2.3
341.15247	2.9
345.07553	4.5
358.16843	2.4
362.10098	69.8
365.23300	2.0
369.14670	2.0
377.32846	1.5
385.45016	1.5
392.10995	1.9
392.87692	1.7
404.11798	2.0
461.19662	3.7
489.35300	2.0
519.33600	1.8
527.37006	2.2
559.36078	5.1
608.23785	1.8
618.37823	3.6
639.42175	2.1
703.39307	2.0
721.40747	13.3
722.40662	2.6
739.41949	18.2
740.42615	2.3
757.42786	13.2
775.41650	2.2
793.42273	6.3
811.43829	9.9
850.46344	2.1
868.45551	11.2
886.47021	52.6
887.46478	5.9
929.08069	1.8
1048.51331	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	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03939	13.3
55.01856	0.9
62.16085	0.6
65.03923	2.0
66.12459	0.5
67.22529	0.7
72.14143	0.6
77.03914	2.6
79.05482	49.9
80.05815	0.7
81.03375	1.4
93.12321	0.5
94.13082	0.6
95.04958	21.9
96.05287	1.0
103.05460	32.4
104.05763	0.6
105.04512	6.3
105.07015	100.0
105.11061	3.2
106.06579	1.3
106.07342	2.3
118.06509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02365	1.9
53.03692	0.7
53.03940	13.1
53.27792	0.5
55.01866	1.0
57.30073	0.6
65.03935	1.4
67.32093	0.5
71.16160	1.0
71.16489	0.7
77.03917	3.5
78.57057	0.6
79.05485	51.7
80.05815	0.8
80.77322	0.5
81.03410	1.4
95.04346	1.0
95.04958	18.0
103.05457	31.4
104.05741	1.1
105.04531	5.3
105.07019	100.0
105.11044	0.7
106.07359	2.6
107.51943	0.6
108.28944	0.5
109.88920	0.5
118.06523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	2.6
53.03942	16.9
55.01865	1.6
60.08159	1.3
61.08482	2.0
65.03944	8.2
65.74999	1.3
66.01690	1.1
68.21836	1.2
69.30094	10.8
70.49747	1.0
71.94984	1.1
77.03915	4.2
79.05485	51.7
91.05466	4.7
95.04959	22.7
96.05294	1.3
103.04770	1.8
103.05462	37.2
105.04508	9.5
105.07020	100.0
105.11037	5.8
105.27415	1.0
106.06572	2.0
106.07342	2.6
116.62655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01580	0.9
51.02364	1.9
53.03697	0.9
53.03941	13.6
55.01837	0.8
64.05882	0.9
65.03934	1.3
68.50874	0.8
69.27945	9.7
69.64155	0.8
77.03919	3.3
79.05482	52.1
79.19393	0.8
80.05805	1.9
81.03391	1.4
95.04960	22.6
97.35866	0.8
103.05458	38.3
104.90852	0.9
105.04495	7.1
105.07019	100.0
106.06612	1.6
106.07366	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	2.0
53.03942	11.4
55.01852	1.2
58.50587	1.0
62.19053	1.0
65.03943	1.9
71.26629	1.2
71.26950	1.6
77.03911	3.5
79.05481	52.5
81.03404	2.3
81.86165	1.0
95.04958	21.9
103.05450	31.8
105.04491	8.0
105.07017	100.0
106.06635	1.2
106.07352	3.6
114.23196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
53.03943	14.6
55.01861	0.7
56.22188	0.8
60.04488	0.7
65.03926	2.7
71.57362	1.3
77.03928	3.8
79.05484	53.6
80.04719	0.7
80.05812	0.8
81.03412	1.3
91.05460	1.3
95.04959	22.3
96.05264	0.8
103.05455	35.0
105.04517	6.7
105.07018	100.0
106.06546	1.9
106.07358	2.3
120.54730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.1
53.03940	16.1
60.08142	4.8
61.08487	10.3
63.75886	1.3
65.03931	7.6
67.79802	1.4
71.54324	2.5
75.06370	1.4
77.03921	3.1
79.05486	54.8
81.03425	1.8
81.78802	1.4
87.40206	1.5
91.05490	2.1
95.04949	26.0
96.04512	2.4
103.05451	33.7
105.03413	2.5
105.04489	12.5
105.07019	100.0
105.10432	3.0
105.11052	20.3
106.06522	4.4
106.07330	3.1
111.40276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.9
50.66661	0.6
51.02365	3.2
52.11073	0.6
53.03698	0.9
53.03940	18.1
54.10838	0.6
65.03935	3.4
71.54849	0.6
72.54257	0.6
73.92101	0.6
77.03908	2.8
79.05484	60.9
80.05808	0.9
81.03410	1.1
88.91931	0.6
95.04959	29.8
96.04417	0.7
103.05456	37.7
104.05742	1.0
105.03403	1.5
105.04515	10.7
105.07017	100.0
106.06556	2.1
106.07359	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	106.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03941	3.6
53.16377	0.3
55.01863	0.3
56.96552	0.3
59.03730	0.5
60.04514	1.1
63.42752	0.2
64.92805	0.6
65.03930	1.2
67.04235	2.9
70.06571	0.5
70.13418	1.2
72.93774	0.2
76.03980	0.4
77.03926	0.4
78.03438	0.6
78.04701	0.3
79.05483	22.2
80.05008	3.7
80.05775	1.1
81.03415	0.5
88.03950	0.3
88.07606	0.6
89.03913	0.3
91.05473	3.0
95.04962	5.4
96.04482	3.2
104.05773	0.5
105.04491	1.4
105.07024	0.9
106.06543	100.0
107.04942	4.9
107.06075	2.7
107.06885	2.6
107.08579	0.9
109.06524	0.3
119.55469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01587	0.4
51.02367	1.1
53.03944	10.6
55.01862	2.1
65.03928	3.7
67.04236	0.8
67.05491	1.1
69.94560	1.6
73.48149	0.3
77.03922	1.9
79.05486	19.4
80.05022	4.6
80.05807	0.7
81.03406	1.2
91.05473	26.2
92.05764	0.5
92.06284	0.7
93.05793	0.6
95.04958	16.5
96.04500	0.3
96.05330	0.4
98.20782	0.5
105.04499	3.9
105.07022	6.5
107.04944	100.0
107.08588	6.2
108.04478	1.1
108.05312	2.3
108.08105	1.0
109.06516	3.4
119.06016	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01592	0.2
51.02366	0.7
53.03941	6.1
53.04193	0.3
54.04278	0.2
55.01856	0.4
58.71328	0.2
64.91625	0.2
65.03922	0.4
67.04241	0.5
70.68629	0.3
70.68995	0.3
72.57661	0.2
77.03909	1.0
79.05481	100.0
80.05038	0.8
80.05816	2.5
81.03407	0.6
82.71328	0.2
91.05470	2.3
95.04957	9.7
96.05315	0.4
98.20663	0.2
105.04505	3.0
105.07014	0.6
107.04939	6.6
107.06083	0.5
107.08568	0.6
108.04472	0.3
108.05592	0.2
108.08076	0.2
109.06504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03948	1.5
55.01850	0.4
57.34828	0.2
59.73257	0.2
64.49254	0.2
65.03934	13.7
66.03458	0.3
67.04246	0.8
67.05495	3.2
70.17160	0.9
77.03919	0.4
79.05484	20.1
80.05013	2.4
80.05785	0.5
81.03431	0.3
91.05469	100.0
92.05772	1.5
92.06286	2.4
95.04958	2.5
96.04463	0.2
103.05426	0.5
105.04482	0.9
105.07019	28.7
106.04148	0.5
106.07348	0.7
107.04944	3.8
107.06084	1.0
107.08581	28.7
108.04472	0.6
108.05595	0.3
108.08080	0.6
108.08906	0.5
109.06508	14.3
110.06830	0.4
119.06049	6.2
121.54459	0.2
124.05179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02374	0.5
53.03941	3.1
55.01873	0.6
55.05519	0.3
63.02371	0.4
65.03933	14.3
66.04260	0.3
67.04246	0.4
67.05494	3.2
70.66521	0.9
70.66872	0.3
77.03944	0.6
79.05484	21.7
80.05018	1.9
80.05766	0.2
91.05470	100.0
92.05743	1.5
92.06290	2.8
95.04953	5.1
103.05466	0.7
105.04491	1.0
105.07018	28.8
106.04177	0.6
106.07359	0.8
107.04207	0.4
107.04940	10.7
107.06087	1.1
107.08580	25.8
108.04464	0.6
108.05608	0.4
108.08116	0.4
108.08861	0.5
109.06503	13.3
119.06057	5.6
124.05185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03942	4.2
55.01863	1.0
65.03931	13.0
66.03452	1.0
66.04269	0.5
67.04242	1.9
67.05502	3.7
68.41000	0.3
69.72169	2.4
77.03912	0.5
79.05482	30.0
80.05003	8.7
80.05794	0.8
81.03406	0.5
81.04500	0.4
91.05468	100.0
92.03736	0.4
92.05782	1.6
92.06284	2.7
93.05763	0.9
95.04964	5.7
96.04477	0.8
103.05444	0.6
105.04492	1.6
105.07017	29.1
106.06525	0.4
106.07330	0.8
107.04942	12.4
107.06050	4.0
107.08578	29.9
108.04469	2.4
108.05641	1.9
108.08078	1.5
108.08839	0.6
109.06497	13.7
119.06039	6.4
124.05194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02359	2.5
53.00292	1.7
53.03941	43.9
54.03461	0.9
54.04248	0.7
55.01872	5.3
55.05257	1.1
55.05503	10.3
55.18933	0.8
56.05026	1.0
65.03934	11.9
65.44899	0.6
67.04252	3.4
67.05498	83.5
67.40596	0.7
67.56614	0.7
68.05022	17.0
68.05824	1.9
69.04559	5.5
69.07055	5.7
69.24705	3.5
69.25137	4.5
79.05483	27.9
80.05004	2.4
80.06258	1.4
81.03409	81.1
81.07048	44.6
82.03744	1.9
82.06094	1.1
82.06567	17.6
82.07309	1.0
83.06091	2.0
86.00697	0.6
87.00443	3.1
91.05474	12.0
92.05002	3.6
93.04530	1.1
94.04177	8.6
94.07819	1.7
95.04980	0.9
96.00964	0.9
107.04932	3.1
107.08585	2.7
109.02872	18.5
109.06502	100.0
109.07629	43.6
109.10141	32.3
110.06019	18.2
110.07142	23.1
110.07922	1.5
110.10518	1.2
113.96407	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02373	1.6
51.31878	0.4
53.00298	0.8
53.03941	25.6
55.01618	0.7
55.01865	8.1
55.05505	7.2
65.03639	0.7
65.03934	7.2
66.04698	1.5
67.05495	54.7
68.05022	4.7
68.05823	0.8
69.04540	2.8
69.07056	4.1
69.29425	3.8
69.29836	1.3
79.05482	47.3
80.05003	0.6
80.05808	1.2
80.06268	1.0
81.03407	35.0
81.07044	52.2
82.03747	1.1
82.06555	3.4
82.07369	1.0
83.06124	0.5
86.00653	0.6
87.00435	4.2
91.05467	15.3
93.04506	0.5
94.04179	5.3
94.06120	0.7
94.07821	0.8
95.04958	1.8
95.44549	0.4
96.00961	0.7
98.51236	0.9
107.04932	1.5
107.08565	2.2
109.02863	7.3
109.06500	100.0
109.07579	7.8
109.10136	22.6
110.06024	7.2
110.07130	13.1
113.96384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.01588	1.5
51.02364	3.2
53.00296	1.3
53.03942	89.2
54.03471	1.8
54.04267	1.3
55.01854	4.1
55.05508	12.2
65.03938	10.0
67.04261	1.9
67.05499	100.0
68.05017	12.4
68.05832	1.6
69.03426	0.9
69.04551	8.3
69.07057	7.3
69.46444	5.6
69.46870	3.2
79.05057	2.2
79.05487	37.8
80.04985	2.1
80.05762	1.0
80.06264	1.7
81.03410	82.2
81.07050	45.9
82.03754	1.6
82.06577	9.7
83.06089	2.1
83.45731	1.0
86.00716	1.9
87.00444	5.4
89.53780	0.9
91.05476	7.7
92.05019	1.3
93.04521	1.2
94.04182	7.1
94.07806	1.5
95.04939	1.4
98.21439	1.9
107.04948	2.4
107.08594	3.9
109.02869	22.0
109.06505	64.1
109.07639	25.8
109.08422	1.5
109.10144	40.0
110.06034	15.0
110.07148	26.4
113.96395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54587	0.7
51.02367	1.0
53.00303	1.1
53.03942	16.2
54.04287	1.0
55.01858	1.0
55.05506	10.1
55.05767	0.8
65.03935	7.2
67.05497	100.0
68.05020	6.6
68.05827	2.4
69.04538	3.5
69.07059	6.3
71.18404	1.4
79.05487	16.6
80.05013	0.8
80.06258	1.3
81.03409	23.1
81.04493	0.9
81.07048	33.7
82.03748	1.1
82.06571	3.8
82.07348	0.9
87.00455	2.4
91.05468	3.3
92.04979	1.0
92.05792	0.6
94.04189	4.0
107.04935	1.7
107.08569	2.7
109.02874	5.6
109.06507	11.5
109.07633	8.0
109.10143	40.6
110.06036	8.3
110.07159	10.3
110.10491	1.3
113.96401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.39445	0.7
53.00304	0.8
53.03941	9.8
55.01862	0.6
55.05504	12.1
55.05772	0.7
60.52787	0.5
65.03931	5.4
67.05497	100.0
68.05017	4.9
68.05828	2.7
69.04542	1.2
69.07058	6.4
69.62238	2.4
69.62652	1.6
73.78806	0.6
79.05485	12.4
80.06273	1.7
81.03406	14.1
81.07047	35.9
82.06557	3.6
82.07342	0.9
87.00446	1.1
91.05466	1.9
94.04194	1.2
94.07828	1.1
95.04974	0.8
98.21479	1.2
107.08572	4.0
108.03634	0.6
109.02850	3.3
109.06491	5.2
109.07630	8.5
109.10143	38.3
110.06022	3.5
110.07146	4.1
110.07858	0.7
110.10509	1.5
113.96358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.00329	0.4
53.03942	9.5
55.01870	0.9
55.05506	10.8
65.03933	4.5
67.05498	100.0
68.05814	2.0
69.07060	6.1
71.53979	0.3
71.54401	0.5
79.05485	10.6
80.05837	0.5
80.06282	1.3
81.03409	16.9
81.07050	32.7
82.03741	0.8
82.06564	1.0
82.07386	0.8
86.50646	0.6
87.00434	0.9
90.89227	0.4
91.05470	1.9
94.04204	0.7
94.07822	1.6
105.07023	0.7
107.04959	0.4
107.08582	4.8
109.02876	3.5
109.06537	3.1
109.07652	1.1
109.10144	41.4
110.06034	4.8
110.07166	1.2
110.10487	1.3
112.96714	0.4
113.96414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.52614	0.4
53.00298	0.5
53.03947	3.5
54.06345	0.4
54.27896	0.4
55.05505	11.5
58.21950	0.4
65.03939	4.5
66.00986	0.4
67.05496	100.0
68.05824	1.5
69.07059	6.3
70.88973	0.5
70.89313	0.9
78.81886	0.4
79.05478	9.5
80.06271	1.2
81.03415	3.8
81.07047	30.2
81.61349	0.4
82.06551	0.7
82.07370	1.2
85.96154	0.4
91.05482	1.3
94.07800	1.0
97.35137	0.4
107.08582	3.1
108.61716	0.4
109.02843	1.0
109.06516	1.2
109.10143	41.7
110.06033	1.3
110.10455	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02388	1.1
53.00313	0.6
53.03939	16.7
54.04276	0.8
55.01870	1.3
55.05502	11.2
56.05031	0.6
60.70014	0.5
63.29656	0.5
65.03930	7.0
66.04700	0.7
67.02978	0.4
67.04244	1.5
67.05495	100.0
68.05021	9.7
68.05837	2.1
69.04545	2.5
69.05804	0.5
69.07060	6.3
69.25047	4.0
76.85384	0.5
77.89491	0.4
79.05479	16.1
80.05002	1.1
80.05843	0.5
80.06278	1.3
81.03406	27.0
81.04479	0.8
81.07046	37.3
82.03741	0.7
82.06571	7.2
82.07356	0.9
83.06091	1.2
87.00453	3.6
91.05454	2.6
92.05005	1.8
93.04524	0.6
93.07072	0.4
94.04178	1.9
94.07832	1.7
96.00983	0.5
98.21500	0.8
98.51262	0.7
105.07018	0.6
107.08561	3.9
109.02851	5.4
109.04028	0.5
109.05791	0.6
109.06500	14.6
109.07623	16.0
109.10139	38.1
110.06026	7.2
110.07146	12.2
110.10473	1.6
111.04468	0.5
113.96404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02370	0.9
52.38533	0.6
53.03940	12.2
55.05504	10.8
65.03930	5.9
66.01659	0.5
67.05495	100.0
68.05014	4.5
68.05830	2.0
69.04539	1.7
69.07054	5.3
69.68861	3.2
79.05479	12.9
80.06252	1.3
81.02925	0.8
81.03400	16.3
81.07046	33.1
82.03738	0.7
82.06565	2.7
82.07367	0.7
83.06059	0.8
87.00436	1.8
88.09969	0.5
88.15205	0.6
91.05467	4.7
92.04987	0.9
94.04179	2.6
94.07795	1.4
95.04951	0.6
98.21387	1.0
106.30470	0.6
107.04948	1.0
107.08566	3.9
109.02861	3.9
109.06510	9.3
109.07628	5.8
109.10138	36.3
110.06040	5.1
110.07144	7.1
110.10468	1.4
113.96383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0443
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
51.02374	0.8
53.00294	1.2
53.03937	7.7
55.01863	12.2
55.05505	84.4
56.05027	1.2
56.05841	1.0
56.96563	20.2
65.03933	63.0
65.91747	0.8
66.04256	1.9
66.27219	0.8
67.05496	55.8
68.05008	1.0
68.05833	1.6
68.99776	3.2
69.03416	9.5
69.07053	1.7
70.02927	1.0
70.06576	6.8
70.95881	1.1
71.95241	2.2
72.96040	1.0
80.17020	1.0
81.03400	1.6
82.04186	3.7
82.05312	1.9
83.04970	100.0
83.06073	3.1
84.04491	1.6
84.05296	2.2
84.08133	2.1
91.05499	0.9
91.53711	1.1
93.03393	13.0
93.07040	2.7
94.02917	1.1
94.06541	1.9
95.01331	0.8
95.04955	2.0
100.02455	1.1
108.02345	0.9
110.97564	1.1
111.00793	6.5
111.04427	71.1
111.05618	3.6
111.06383	2.6
111.08054	4.2
111.09203	6.1
112.03954	2.3
112.05033	2.0
112.07598	8.5
128.98582	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	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
54.03467	3.0
54.68498	1.4
55.05505	34.5
56.05015	5.7
56.05853	1.3
57.04570	1.2
57.07058	1.8
58.06588	5.4
67.05491	3.8
68.05025	10.5
69.04529	3.4
69.07061	100.0
69.08516	1.4
69.97302	6.2
70.02940	1.7
70.04890	1.3
70.06585	71.4
70.07379	2.7
71.06102	9.6
71.07342	1.7
83.04952	1.9
83.06094	6.2
84.05639	1.3
84.08118	3.9
85.07658	9.0
87.50586	1.7
88.00466	12.3
88.01401	1.2
94.06551	6.0
95.06080	9.0
96.05619	1.9
96.06876	4.9
97.00986	15.0
98.00745	2.6
99.51268	5.7
106.01553	1.4
108.51787	3.0
110.07146	7.9
111.02075	1.6
111.04453	2.7
111.05611	6.3
111.06760	2.7
111.07516	4.4
111.09192	90.3
112.03936	1.7
112.05086	3.1
112.07597	3.2
112.08727	56.7
112.09537	4.3
115.96403	7.1
116.97218	2.9
117.95950	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	1125.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
88.54786	0.2
108.49491	0.2
276.49496	0.2
278.65775	0.2
311.25800	0.2
335.25339	0.2
396.12250	0.5
397.12863	1.1
398.13483	0.6
409.13214	0.3
410.13794	1.3
411.14514	3.7
412.15302	2.1
413.16177	1.1
416.96732	0.2
422.13727	0.2
423.15079	1.0
424.11118	0.7
424.15320	1.6
425.16263	7.2
426.16858	5.0
427.17612	1.4
428.18420	1.3
437.16678	0.9
438.13034	1.8
438.17435	1.0
439.13522	10.8
440.13785	0.7
440.19061	4.0
441.19235	26.6
442.19586	1.9
451.17975	0.5
452.13953	2.1
453.15213	12.4
454.15906	3.4
455.16797	0.3
456.18253	0.3
457.15091	0.6
458.15381	0.4
463.13998	0.6
465.15671	0.6
466.11584	0.2
466.16644	0.5
467.17136	21.2
468.17831	10.4
469.18771	9.4
470.18793	0.7
471.16580	0.8
472.17532	0.7
478.15790	0.2
479.17236	0.4
480.17291	0.7
481.14633	12.0
482.15027	2.3
483.15875	0.4
485.17987	0.6
486.18735	0.6
494.17102	0.7
495.16061	3.3
496.17105	8.0
497.17990	2.7
498.18393	0.6
499.15741	0.6
499.19986	0.7
500.20203	0.3
508.19186	0.6
509.18137	1.8
512.20392	0.8
513.21918	0.4
514.22412	2.3
522.17462	0.7
523.20013	1.2
524.19904	0.4
526.18903	0.2
527.23407	2.5
528.23657	0.4
537.19391	0.7
539.19458	0.2
540.19995	0.5
542.21362	0.8
545.24030	0.4
551.19080	0.2
555.22327	23.7
556.22693	1.8
557.23004	0.3
558.20740	0.2
568.19623	0.4
573.22797	0.4
582.20648	0.3
583.21808	71.3
584.22137	5.1
585.22070	0.6
586.20337	0.8
587.25220	1.1
600.21942	0.3
611.21234	1.6
614.23737	0.6
615.24377	6.6
615.34387	0.3
616.24384	0.3
642.23108	2.9
643.23859	100.0
644.24084	5.2
644.32166	0.1
645.24207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02374	5.0
53.03939	28.8
58.06588	6.0
58.13330	2.4
59.07363	5.5
65.03933	5.6
71.54149	2.5
72.08140	8.0
76.01276	2.0
76.93361	5.2
77.03925	3.5
79.05481	7.3
91.05473	100.0
93.07088	2.3
94.94401	2.4
95.04961	43.0
103.05469	7.0
103.24115	1.8
104.06243	10.3
105.04523	11.6
109.06490	2.6
112.95477	2.2
115.05451	4.6
117.07011	13.9
118.06525	39.4
118.08620	13.1
119.04962	3.3
119.06062	6.0
119.06828	2.5
119.08570	57.9
130.79109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01583	3.3
51.02370	6.9
53.03941	76.8
61.28777	3.3
69.48650	23.1
77.03911	8.6
81.03415	6.6
91.05466	13.7
95.04958	100.0
104.02267	2.9
105.04507	38.3
105.20568	2.9
106.71046	2.4
118.06528	91.8
119.06863	4.2
119.08575	10.2
125.62269	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	9.9
53.03707	2.9
53.03941	53.7
55.01858	5.2
59.07367	3.9
69.47091	13.9
69.47494	4.3
72.08145	3.5
77.03937	12.8
81.03419	4.5
83.59469	2.2
85.32986	2.2
91.05462	26.5
95.04357	5.0
95.04959	100.0
96.05273	2.5
103.05451	2.9
105.04504	23.9
118.06532	83.3
118.08650	6.7
119.06068	3.2
119.06866	2.6
119.08553	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	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01579	2.0
51.02144	1.2
51.02372	9.0
53.03940	54.8
59.06115	14.1
64.37704	1.2
65.03931	15.9
69.87115	7.8
72.04501	2.1
72.08144	3.4
76.93369	6.5
77.03902	6.6
79.05466	2.2
81.03392	5.5
87.05556	2.1
91.05469	100.0
94.94396	1.9
95.04954	87.5
98.21485	1.7
103.05414	2.2
104.06222	1.8
105.04501	21.3
110.57668	1.3
117.07007	4.2
118.04178	2.1
118.06525	81.9
119.04924	24.4
119.05836	2.1
119.06016	1.5
119.06857	3.1
119.08574	13.8
129.04616	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	2.6
51.02377	6.6
51.58148	2.5
53.03940	64.8
55.01851	2.8
55.15642	2.8
57.60373	2.6
58.06584	7.6
59.07369	3.4
61.61451	2.6
64.14050	2.3
67.23658	2.5
72.81924	2.3
77.03905	8.9
77.43928	2.6
81.03407	8.5
91.05462	19.7
91.12115	2.3
95.04957	100.0
105.04505	30.4
117.06992	3.4
118.06529	85.0
118.08668	4.4
119.06865	4.4
119.08569	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25933	3.4
52.45181	3.3
53.05799	3.0
56.96546	4.1
59.06107	9.7
62.32920	3.1
62.42584	3.5
65.03918	3.5
65.52180	4.1
67.05487	7.3
69.03423	31.5
70.71805	3.4
70.72167	9.4
71.02998	4.7
72.94270	3.1
78.52958	5.5
79.03004	3.5
79.05509	3.4
79.38642	3.3
79.51942	4.6
80.02941	3.5
80.06251	3.2
82.01441	8.1
87.53493	7.5
91.05473	18.9
92.52713	3.3
93.07017	3.8
93.53444	6.3
100.02474	46.7
101.00881	14.9
101.02573	7.1
102.02217	3.7
103.02435	11.6
107.05271	12.6
107.55363	4.0
111.04443	4.6
116.05787	8.1
118.03517	32.6
119.01911	100.0
119.03621	4.2
120.02054	5.3
120.05598	3.4
121.03495	10.5
133.03461	7.9
133.73764	2.9
137.02959	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03928	1.2
55.01865	1.2
55.05497	1.5
56.05029	6.2
56.96559	34.8
57.03428	2.9
58.06582	1.1
59.06118	12.9
60.04520	5.3
60.95844	0.8
61.02908	2.1
62.06065	0.9
65.03934	18.2
66.04263	0.6
67.02958	0.6
67.05501	3.7
68.95274	0.8
69.03427	2.6
70.06575	1.0
70.60280	1.9
70.98106	0.6
71.04982	0.6
71.95276	0.8
72.04507	1.7
72.08141	0.8
73.02900	1.2
73.04023	0.5
74.06071	18.8
74.97581	0.7
75.01022	0.8
77.00822	0.8
78.00452	0.5
79.05478	1.3
81.03402	1.8
81.99975	0.5
82.01421	0.6
83.00782	0.8
83.04989	2.8
84.04480	0.7
84.08143	0.8
84.16024	0.5
84.96032	0.7
85.02879	0.7
87.00813	1.0
87.05586	2.5
87.53487	1.0
88.01790	0.8
91.05470	100.0
92.02444	1.3
92.04985	2.0
92.05785	3.1
93.03409	1.7
94.01783	0.6
94.54252	1.8
95.04955	0.9
95.52362	0.6
96.01501	1.1
97.02300	0.9
97.02893	1.1
97.99151	0.7
98.06030	0.5
98.97567	2.1
100.02454	3.3
101.00861	1.8
101.02582	1.0
102.05505	3.1
102.09161	1.8
103.02388	1.1
103.05441	1.5
103.54754	1.0
104.52881	1.4
105.00158	0.8
105.53459	0.6
111.04430	1.2
116.00259	0.6
116.01267	0.7
116.52816	0.9
116.98634	1.7
117.07034	1.2
118.03488	3.4
119.01910	12.6
119.03561	9.6
119.04920	15.8
119.06041	1.4
119.06809	0.6
119.08589	3.3
120.01970	1.1
120.04549	0.7
120.05552	1.8
120.06458	0.7
120.08098	3.0
123.01191	0.9
128.98630	0.7
134.99672	0.9
136.04520	0.8
137.02942	7.5
137.04572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44333	0.6
58.31404	0.5
59.06126	4.5
59.20634	0.5
60.04547	0.9
64.27358	0.7
65.03934	18.1
69.78072	2.3
69.78491	1.4
79.05467	0.8
86.14584	0.6
87.05585	1.5
91.05470	100.0
92.05793	3.6
93.07007	0.9
103.05469	1.2
117.07025	1.8
119.04929	31.8
119.08561	4.9
120.04478	0.7
120.05463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
59.06114	2.3
65.03936	21.7
66.66456	0.6
69.65782	3.7
75.02335	0.5
78.22309	0.5
91.05475	100.0
92.05005	0.5
92.05811	3.1
95.04939	0.7
96.62388	0.5
119.04935	31.9
119.08590	1.4
120.05363	0.8
129.04489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
59.06107	3.0
65.03937	20.3
65.91341	0.5
69.84807	2.2
87.05581	0.8
91.05472	100.0
92.05814	3.9
95.04931	0.6
98.21490	0.5
103.05430	0.8
113.08945	0.5
117.07044	1.3
119.04932	34.0
119.08574	4.2
120.05298	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.04175	0.3
53.03947	0.4
56.56042	0.3
59.06120	0.6
60.66406	0.3
63.02365	0.3
65.03937	19.9
69.37820	3.2
71.02556	0.3
74.06087	0.4
79.05512	0.6
91.05475	100.0
92.05033	0.5
92.05801	3.1
95.04953	0.7
103.05457	0.7
104.06265	0.8
115.05473	0.5
117.07019	2.1
119.04935	31.8
119.08576	5.6
120.04489	0.4
120.05329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
59.06116	1.4
65.03932	17.2
71.24393	0.8
74.06066	0.6
77.03510	0.8
78.04688	0.4
79.05486	2.1
91.05467	100.0
92.04998	0.9
92.05802	3.3
93.07037	1.3
95.04955	1.6
96.05307	0.6
103.05442	3.6
104.06250	2.2
105.04494	0.5
109.06499	0.4
115.05438	1.4
117.07001	6.8
119.04928	22.2
119.06009	2.1
119.06792	0.6
119.08561	16.6
120.04432	1.2
120.05515	2.5
120.08112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13823	0.2
51.13669	0.2
53.00285	0.3
53.03937	0.9
59.06122	1.0
59.34195	0.2
63.02370	0.2
65.03932	16.4
65.23641	0.2
66.04272	0.5
69.45797	1.4
69.46214	0.5
77.03514	0.3
78.04720	0.3
79.05479	2.2
91.05469	100.0
92.04980	0.4
92.05801	3.5
93.07008	1.6
95.04942	1.7
96.05301	0.4
103.05443	3.4
104.06243	3.8
105.04522	0.4
109.06533	0.6
111.04396	0.3
115.05431	1.9
117.07001	10.3
118.04173	0.2
118.07320	0.4
119.04927	23.7
119.06798	0.8
119.08562	21.5
120.04438	0.4
120.05428	1.3
120.08100	0.5
120.08910	0.9
121.04009	0.2
129.04488	0.3
131.06085	0.2
133.01445	0.2
135.92639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63363	0.4
53.03946	3.2
53.80885	0.4
54.04288	0.4
59.06114	1.6
62.06175	0.4
64.46770	0.4
65.03935	4.8
65.13860	0.4
70.41799	1.4
74.54461	0.4
77.03534	0.8
77.03919	0.5
78.04710	0.9
79.05482	6.1
82.91207	0.4
91.05473	100.0
92.05000	1.3
92.05792	2.6
93.07030	5.1
95.04956	4.6
96.05268	0.7
103.05457	12.5
104.06255	11.1
105.04523	0.9
109.06506	1.2
113.28599	0.4
115.05448	6.2
117.07007	29.3
118.07349	0.7
119.04948	2.4
119.06166	2.8
119.06812	1.4
119.08569	64.7
120.04477	0.9
120.05616	2.2
120.08173	0.9
120.08910	2.3
121.06460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	1.4
59.06108	0.6
65.03931	16.1
66.04274	0.4
70.11737	0.3
70.12936	1.1
70.13359	0.7
72.70757	0.3
76.54307	0.3
79.05486	1.8
91.05468	100.0
92.04987	0.4
92.05814	2.8
93.07023	1.1
95.04948	1.3
103.05455	3.8
104.06238	3.2
109.06504	0.6
115.05455	1.9
117.07002	9.9
118.07355	0.5
119.04929	24.2
119.06764	0.7
119.08562	20.0
120.04464	0.4
120.05497	1.0
120.08113	0.5
120.08921	0.8
137.51927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86201	0.4
53.03939	2.2
57.43811	0.5
60.53607	0.5
65.03925	4.5
67.05521	0.5
69.38577	5.2
75.57929	0.5
77.03931	0.6
77.65857	0.5
78.04707	1.4
79.05477	6.8
91.05470	100.0
92.05799	2.9
93.07027	6.9
95.04952	5.4
103.05459	14.6
104.06245	11.7
105.04523	1.1
109.06509	2.2
115.05441	7.3
117.07001	43.7
118.07336	1.8
119.04958	2.2
119.06075	1.9
119.08565	72.2
120.04458	0.5
120.05599	0.8
120.08881	3.0
121.06470	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	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
53.07106	0.7
57.87730	0.7
65.03933	3.9
71.43049	1.2
78.04698	1.7
79.05486	7.9
79.93698	0.7
81.03379	0.7
91.05466	100.0
92.05772	3.4
93.07040	5.4
95.04949	4.4
96.05328	0.8
102.04603	0.8
103.05455	14.4
104.06237	13.5
105.04527	1.0
115.05432	7.2
117.07001	29.7
119.04899	1.2
119.06052	2.7
119.08560	87.8
120.04575	0.7
120.05507	0.9
120.08110	1.2
120.08870	3.9
121.06456	1.5
124.75623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
59.90422	0.8
65.03942	4.8
69.49660	1.6
69.50076	5.3
70.89481	0.7
78.04705	1.3
79.05476	7.4
91.05473	100.0
92.05795	2.9
93.07019	5.7
95.04959	5.5
96.05254	1.2
103.05451	12.4
103.89369	0.8
104.05610	1.0
104.06244	12.3
105.04527	1.2
109.06498	1.3
115.05451	7.1
117.07008	23.4
119.04971	1.3
119.06048	3.8
119.06788	1.8
119.08566	73.0
120.04417	1.3
120.05594	1.1
120.08907	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33935	0.6
53.03937	2.7
58.33440	0.8
61.36631	0.7
63.03921	0.6
65.03925	4.0
69.35699	6.3
77.03908	1.1
78.04679	1.5
79.05486	8.1
84.95257	0.7
90.80773	0.7
91.05469	100.0
92.05805	2.1
93.07027	5.5
95.04939	5.3
103.04781	0.8
103.05457	14.8
104.06235	11.0
105.04534	0.8
106.04844	0.7
109.06519	1.9
115.05425	5.5
117.07003	35.6
118.07323	0.9
119.06059	1.8
119.08566	81.2
120.05560	0.9
120.08910	3.1
121.06550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03930	3.5
58.24377	0.8
65.03928	3.5
69.28642	1.3
69.29060	7.6
78.04683	2.1
79.05473	7.7
80.06510	0.8
84.00955	0.8
86.90510	0.9
91.05467	100.0
92.05806	3.1
93.07037	5.6
95.04951	5.3
103.05456	15.6
104.05598	1.6
104.06235	15.7
109.06502	1.9
110.78482	1.0
115.05431	8.1
117.07002	39.0
118.07314	2.3
119.08562	78.4
120.08898	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.00302	0.6
53.03942	3.4
54.04288	0.7
59.06121	14.3
60.04512	1.2
65.03932	6.6
66.57949	0.6
71.56781	0.7
78.04704	0.9
79.05483	7.3
81.03419	0.6
83.72684	0.5
87.05589	2.3
91.05476	100.0
92.04997	2.0
92.05815	2.7
93.07043	4.8
95.04961	4.3
96.05305	0.6
102.04656	0.9
103.05457	14.7
104.06252	10.7
109.06474	1.1
115.05457	6.1
117.07011	19.4
119.04951	2.7
119.06032	2.1
119.08573	69.7
120.04461	1.2
120.05570	2.9
120.08089	4.8
120.08910	2.7
121.03986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5837
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04981	1.2
83.06082	0.8
83.08610	4.4
84.04491	9.8
85.02898	2.7
85.04000	1.2
85.06483	0.3
86.00651	0.3
86.99036	1.5
88.02200	1.2
91.03928	0.9
91.05467	9.6
92.01651	0.3
93.06453	0.5
93.07033	9.4
95.04347	0.4
95.04958	7.3
95.08039	0.5
95.08598	7.0
96.04470	0.4
97.01089	0.4
97.02870	2.0
97.06491	0.8
97.10144	1.1
99.08059	0.4
102.05519	0.3
103.05462	0.5
105.04473	0.3
105.07016	6.9
107.04951	1.9
107.06110	0.3
107.08579	4.8
109.06500	1.0
109.10152	3.6
111.04412	0.6
111.08044	1.5
113.03407	0.4
114.03750	0.9
115.05431	0.9
116.01662	12.3
117.06986	2.1
119.04903	0.3
119.08562	5.4
121.06469	1.0
121.10126	4.5
123.04375	0.4
123.08056	0.6
123.11702	1.4
124.02165	0.4
125.09602	0.6
127.03897	0.9
128.06197	0.5
128.07068	0.5
129.05528	0.3
129.07074	2.5
130.04985	7.8
131.04503	0.8
131.08549	4.0
133.06465	0.8
133.10126	3.1
135.08067	0.5
135.11676	2.7
137.09584	0.7
139.03943	0.3
141.04796	0.5
141.06918	0.3
142.03204	6.5
142.07744	0.6
143.08492	0.4
144.01126	6.8
145.04979	0.5
145.06110	1.3
145.10077	2.3
146.02673	0.6
146.08112	0.6
147.08034	1.0
147.11676	3.3
149.09605	1.2
149.13208	1.7
151.03888	0.3
155.08498	0.3
157.10120	2.6
159.11656	1.1
161.13225	1.0
162.02184	23.7
163.05978	0.7
163.11166	0.6
163.14824	0.7
165.12775	0.5
170.02702	2.5
171.11722	0.4
173.09744	0.3
173.13269	1.4
175.11151	2.8
175.14763	0.6
177.03244	2.6
179.04831	40.0
185.03802	0.7
185.13286	0.3
186.02161	0.4
187.05350	1.7
187.14780	0.5
188.03680	0.3
189.03360	0.3
189.11243	0.3
189.12738	0.3
192.06664	0.3
193.12219	6.2
199.05365	0.7
201.16309	0.3
205.06372	0.4
205.12102	0.3
208.05991	0.8
211.13223	0.6
215.04832	1.7
216.03186	0.5
227.04848	0.3
227.12755	1.0
231.04335	0.6
233.05891	12.6
235.13351	0.5
238.07162	0.4
243.04376	0.3
243.21092	1.2
245.05867	2.7
249.14836	0.5
259.13275	0.4
261.22113	3.2
267.15881	20.3
268.16290	0.7
274.09183	0.3
276.15948	0.5
288.06488	0.5
289.04987	0.6
290.08038	1.0
291.06470	2.1
301.14349	0.4
301.25281	0.5
306.07550	0.5
308.09067	100.0
309.09344	2.8
309.16821	0.4
317.24719	0.6
333.24310	0.3
335.25769	17.2
336.26138	0.9
341.10101	1.1
350.10239	0.9
386.10016	0.5
416.11218	0.4
431.28656	0.3
434.12225	0.6
435.27109	0.5
435.32681	0.6
452.13516	1.2
453.33701	1.2
470.14417	3.6
471.34409	0.5
509.36313	0.3
527.37286	11.3
528.37366	0.9
545.38312	10.2
546.38562	0.8
569.38159	0.6
620.39856	0.4
632.19507	0.4
656.41699	0.3
705.40845	0.8
723.41260	0.8
740.99402	0.3
759.41962	0.4
777.42249	0.5
834.44891	0.9
835.46570	0.3
852.46576	3.7
853.46271	0.4
869.46210	0.5
870.45874	0.9
1014.51782	2.0
1176.56958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04965	0.9
83.06087	0.6
83.08617	3.8
84.04498	8.7
85.02899	2.4
85.04015	1.3
85.06512	0.3
86.99044	1.7
87.04507	0.2
88.02200	0.8
91.03950	1.3
91.05476	9.7
92.01705	0.4
93.06464	0.6
93.07036	10.2
95.04960	6.4
95.08596	8.2
97.02863	2.1
97.06526	0.6
97.10147	1.3
98.06105	0.3
99.08057	0.3
100.02196	0.4
103.05437	0.3
105.06374	0.5
105.07029	5.9
107.04940	1.7
107.08588	5.6
109.06503	1.2
109.10149	4.3
111.04428	0.5
111.08057	1.0
114.03735	0.6
115.05440	0.5
116.01672	10.6
117.07018	1.9
119.08572	5.6
121.06493	0.8
121.10129	5.8
123.04399	0.6
123.08087	0.7
123.11715	1.5
125.09576	0.6
126.05502	0.4
127.03880	0.7
128.06178	0.5
128.07065	0.4
129.07011	2.8
130.04993	7.9
131.04520	0.8
131.08559	4.5
133.06490	0.7
133.10110	3.4
135.08049	0.5
135.11679	2.7
136.03883	0.3
137.09616	0.6
141.04854	0.3
142.03209	5.3
142.07774	0.8
143.08514	0.4
144.01128	6.8
145.04984	0.4
145.06023	0.6
145.10117	2.3
146.02740	0.4
146.08116	0.3
147.08032	0.6
147.11670	3.2
149.09589	1.3
149.13232	1.7
149.27225	0.3
157.10136	2.2
159.11638	1.4
160.00705	0.5
161.13252	1.2
162.02184	22.9
163.02457	0.4
163.05988	0.7
163.11131	0.8
163.14809	0.8
165.12737	0.7
169.10115	0.5
170.02670	2.5
171.11710	0.5
173.13264	1.4
175.11169	1.9
175.14780	0.7
177.03242	2.0
179.04836	38.0
185.03821	0.7
187.05319	1.7
187.14861	0.6
189.11122	0.3
193.12238	6.0
199.05342	0.4
203.62410	0.3
208.05956	0.4
211.13278	0.7
214.01671	0.4
215.04813	1.5
216.03304	0.5
221.24594	0.3
227.04770	0.5
227.12798	0.9
231.04353	0.5
233.05890	10.7
243.21117	1.5
245.05879	2.6
249.14914	0.4
250.12677	0.3
261.22104	5.3
267.15894	20.2
268.16132	0.4
279.23080	0.4
288.06863	0.4
289.04837	0.6
290.07971	1.3
291.06442	1.3
301.25266	0.8
303.16403	0.3
308.09073	100.0
309.09375	1.6
309.16980	0.5
317.24792	0.9
335.25763	18.9
336.26117	0.7
341.10123	0.9
350.09973	0.7
386.10092	0.5
421.26099	0.6
432.71649	0.3
435.27316	0.5
435.32690	1.3
442.14099	0.3
445.99896	0.3
452.13260	1.4
453.33646	1.5
470.14447	4.3
477.91199	0.3
527.37323	12.8
528.37701	0.9
545.38342	11.5
546.38702	0.6
569.38605	1.3
623.39160	0.4
632.19232	0.4
635.40118	0.4
653.39734	0.5
656.41345	0.6
671.42285	0.4
705.40247	0.6
723.41437	0.6
834.44897	1.0
852.46594	3.7
853.47864	0.6
885.48547	0.3
996.49689	0.5
1014.51788	2.4
1176.56360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0445
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
52.11338	0.2
53.03949	0.3
56.05028	0.3
60.04530	0.4
65.03934	46.8
66.03442	0.4
66.04279	1.2
70.71232	0.9
74.06076	0.5
78.93118	0.3
79.05479	1.1
91.05457	1.7
92.04995	100.0
93.03434	0.3
93.04642	0.6
93.05328	2.5
93.07045	1.6
94.06552	0.3
95.04963	0.7
103.05460	1.2
105.07049	0.8
110.06034	3.5
111.04428	0.4
117.36035	0.3
120.04453	51.4
120.05495	2.6
120.08047	1.4
121.02898	1.2
121.03969	0.7
121.04750	1.8
121.06485	1.2
121.10144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
54.97543	0.6
69.30065	5.9
79.05513	0.7
79.49409	0.6
80.05013	0.7
91.05474	9.5
93.07033	15.4
94.07362	0.9
95.04975	4.0
98.20650	1.0
102.04688	1.0
103.05456	85.0
104.05790	2.7
105.04503	1.0
109.25355	0.6
110.05988	0.6
118.06522	1.6
119.07310	1.0
120.08094	100.0
121.08437	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	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
51.74812	0.9
53.03941	9.9
55.05503	1.5
56.05019	1.5
60.04520	1.2
62.01833	0.9
65.03602	1.1
65.03931	16.1
66.04292	1.1
67.05516	1.1
68.04986	0.9
68.08704	0.9
71.53056	1.6
74.04903	0.8
74.06075	3.0
77.03911	1.2
78.93137	1.5
79.02967	2.0
79.05482	12.4
81.04532	1.9
81.05774	1.4
91.05471	28.8
92.05006	7.1
92.05801	19.0
93.03379	0.9
93.04510	6.6
93.07028	30.5
94.07397	1.3
95.04960	13.3
102.04675	1.3
103.05453	100.0
104.05801	3.6
105.04498	4.1
105.07029	25.3
106.07816	2.3
110.06033	0.9
111.04426	2.2
114.93080	0.9
115.08526	0.9
118.06535	2.6
118.07348	2.0
119.07315	1.5
119.08574	2.7
120.04472	6.4
120.05573	20.1
120.08092	98.4
120.08882	9.7
121.02879	6.7
121.03947	4.3
121.06490	15.0
121.07614	2.5
121.08453	2.6
121.10125	12.9
123.08067	3.0
133.07632	1.6
135.16130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	0.9
51.20302	0.7
53.03943	12.4
55.01862	1.3
55.05503	9.2
65.03933	9.0
66.93241	0.7
67.05486	3.8
69.03379	0.6
69.26559	0.8
69.33881	4.5
69.34309	2.9
77.03922	2.0
78.04713	1.2
79.05482	46.1
80.05005	1.7
80.05783	0.7
80.06261	0.9
81.03407	1.8
81.04529	1.2
81.07053	5.0
88.02190	1.6
91.05468	46.6
92.05777	1.5
93.03400	0.9
93.07028	100.0
94.06558	1.9
94.07365	3.7
95.04957	21.1
96.05308	0.8
103.05451	12.6
105.03365	1.0
105.04508	6.9
105.07017	54.6
106.07858	5.3
107.07323	2.5
111.04429	2.9
112.03933	1.3
119.08564	7.9
121.02866	6.7
121.03954	3.1
121.06493	3.2
121.07661	0.9
121.10125	35.2
122.06073	6.4
122.07040	5.1
122.09653	5.2
122.10417	1.3
123.08035	6.4
133.07588	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02360	1.5
53.03941	15.5
54.03459	8.0
54.04234	1.4
55.01859	1.7
55.05501	11.3
65.03934	6.9
67.05501	5.5
68.05016	2.0
70.06560	2.0
71.38570	2.3
77.03927	2.6
79.05481	72.5
80.05827	2.6
80.06276	1.7
81.04533	16.1
81.07039	2.7
82.05308	16.3
91.05466	51.7
92.05795	2.0
93.07028	100.0
94.02937	1.3
94.06546	4.3
94.07365	4.4
95.04954	30.8
95.06026	7.1
103.05460	20.6
104.05816	1.7
105.04529	8.6
105.07014	88.0
105.76028	1.1
106.07879	7.6
107.04902	2.2
107.07303	3.1
111.04442	1.3
115.79927	1.1
119.08577	13.3
121.02853	4.6
121.03967	3.7
121.05070	1.4
121.06498	20.4
121.07425	2.1
121.10123	50.6
122.06071	3.5
122.07135	74.5
122.09635	2.6
122.10459	1.5
123.08036	9.9
133.07571	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	1.0
53.03940	7.7
54.03461	2.6
55.01867	1.1
55.05513	1.1
57.97894	0.5
58.40203	0.6
59.07887	0.6
62.26824	0.5
64.98963	0.6
65.03931	6.9
66.04269	0.5
67.05486	1.0
69.87714	3.2
70.06592	0.6
72.50275	0.5
77.03921	1.7
79.05484	38.7
80.05060	0.7
80.05842	0.9
81.03410	0.8
81.04527	3.4
81.07057	0.7
81.42619	0.6
82.05311	3.0
87.66619	0.5
91.05472	18.8
92.05802	0.7
93.07034	18.5
94.06547	1.5
94.89262	0.6
95.04964	14.0
95.06078	0.8
103.05454	19.6
104.05729	0.6
105.04531	4.0
105.07020	100.0
106.07249	2.1
106.07925	5.8
107.07331	2.5
111.04418	1.4
112.03956	1.2
119.08560	13.7
120.05694	1.0
120.08918	0.6
120.49299	0.6
121.02863	6.0
121.03989	1.8
121.05124	0.9
121.06501	22.2
121.10129	45.5
122.06022	4.0
122.07130	17.0
122.09638	4.1
122.10460	2.5
123.08049	12.1
124.08403	0.6
133.07596	5.7
138.06688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01585	0.5
51.02370	1.3
51.64006	0.4
53.03691	0.7
53.03940	10.3
53.43140	0.4
53.98252	0.4
55.01834	0.3
55.05507	8.1
59.77897	0.4
61.82658	0.4
64.88878	0.3
65.03941	3.5
67.05519	2.3
67.05802	0.4
72.84879	0.3
77.03911	1.4
79.05486	34.4
80.05843	0.6
80.06277	1.0
80.34605	0.4
81.03410	0.9
81.07047	4.7
86.02272	0.4
88.33102	0.4
91.05473	41.7
92.05798	1.0
93.07034	100.0
94.07359	3.1
95.04962	16.8
96.05302	0.5
98.21500	0.8
103.05462	7.0
104.05765	0.4
105.04514	4.7
105.07019	30.8
106.07876	3.0
117.06979	0.4
119.08566	5.0
120.05762	0.4
121.02850	2.4
121.03925	0.8
121.06513	0.9
121.10130	22.7
122.06004	0.6
122.09676	0.4
122.10456	1.3
123.08053	2.5
133.07594	1.4
137.69249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
54.42506	0.6
55.05503	8.2
65.03935	2.4
66.44483	0.6
67.05502	1.5
70.97989	1.3
75.40601	0.6
77.03915	1.5
79.05484	31.6
80.05820	0.9
80.06266	1.4
81.03416	0.9
81.07042	5.7
89.45555	0.6
91.05473	44.6
92.05781	1.5
93.07032	100.0
94.07364	3.5
95.04961	17.1
103.05456	7.2
105.04504	4.3
105.07021	28.6
106.07858	3.0
119.08575	4.9
121.02835	0.9
121.10130	20.7
122.05992	0.6
122.07204	0.6
122.10489	0.8
123.08061	1.9
133.07594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03937	9.5
55.05230	0.6
55.05505	10.0
65.03943	1.5
67.05495	1.5
69.26013	2.9
69.26443	2.6
77.03909	1.7
79.05482	33.5
80.05802	1.4
80.06254	1.2
81.03427	0.8
81.07044	5.3
91.05467	42.1
92.05798	1.0
93.07030	100.0
94.07375	3.4
95.04951	14.5
98.20705	1.1
103.05463	6.1
105.04495	3.9
105.07012	30.0
106.07868	2.9
119.08562	5.0
121.02841	0.8
121.10121	22.9
122.06039	0.5
122.10475	1.4
123.08047	3.0
133.07596	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	1.3
53.03944	11.4
55.05508	8.5
59.32730	0.7
65.03942	2.7
65.76608	0.8
67.05500	1.7
67.15364	0.8
69.23175	0.8
71.02115	1.8
77.03918	1.7
79.05487	36.0
80.05812	1.1
80.06272	1.2
81.03379	1.2
81.07046	6.4
87.93678	0.7
91.05476	45.9
92.05815	1.3
93.07037	100.0
94.06563	0.8
94.07363	3.6
95.04963	19.2
103.05468	6.8
105.04533	4.6
105.07024	31.9
106.07816	3.4
107.07359	0.8
119.08588	4.3
121.02865	1.6
121.04012	0.9
121.06561	1.2
121.10132	22.7
122.06059	1.6
122.07047	0.7
122.09698	1.1
123.08076	2.4
133.07620	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03938	11.6
54.03451	4.5
55.05505	6.4
65.03932	8.1
67.05486	3.2
68.05033	1.1
70.66433	2.4
70.66812	3.1
77.03917	1.5
79.05483	34.7
79.50551	1.0
80.06280	1.5
81.04530	31.7
81.07036	4.5
82.05305	3.3
89.18612	1.1
91.05473	50.9
91.60242	1.1
93.07032	100.0
94.04775	1.1
94.06543	2.5
94.07352	4.4
95.04963	20.0
95.06075	5.5
103.05440	9.1
104.05778	1.1
105.04504	6.5
105.07019	33.0
106.07829	2.6
107.07317	1.2
119.08553	5.6
120.05532	3.5
120.06363	1.2
121.02853	4.8
121.04030	2.2
121.06422	8.1
121.07649	2.6
121.10123	25.0
122.07140	47.1
122.09646	2.7
122.10458	1.3
123.08026	2.4
133.07607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01587	1.0
51.02367	1.1
51.61529	1.0
53.03942	15.6
54.03472	8.3
54.04255	1.1
55.05508	9.9
60.22217	0.9
63.84864	0.8
65.03928	8.5
67.02964	1.2
67.05482	3.8
68.05002	3.2
68.14100	1.0
70.06571	1.6
71.52609	2.0
77.03917	2.0
79.05485	50.3
80.04987	1.0
80.05814	1.4
80.06261	1.3
81.03381	1.4
81.04138	1.1
81.04540	14.2
81.05795	1.1
81.07040	4.2
82.05318	19.5
84.98007	1.0
91.05473	55.5
92.05779	1.9
93.03430	1.0
93.07034	100.0
94.06551	2.3
94.07366	2.9
95.04353	0.9
95.04962	23.3
95.06068	13.6
103.05453	18.8
105.04512	9.4
105.07020	63.5
106.07890	5.3
106.25285	0.9
107.07359	1.8
111.04440	2.2
119.08558	9.6
121.02878	6.9
121.03960	3.9
121.04716	0.9
121.06479	12.9
121.07604	2.8
121.09412	0.8
121.10124	39.5
122.06077	3.4
122.07140	67.7
122.09645	4.8
122.10450	2.9
123.08024	6.0
123.56189	1.0
133.07584	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02361	1.3
53.03741	1.1
53.03945	15.2
54.03455	4.8
55.01870	2.7
55.05494	5.5
59.79202	1.6
65.03930	4.8
67.05491	2.0
70.60746	4.1
77.03951	1.9
79.05486	56.5
80.05811	1.8
81.04536	10.1
81.07027	4.2
82.05309	8.1
91.05474	46.5
92.05788	1.9
93.07034	73.6
94.04192	1.6
94.06554	2.2
94.07376	1.6
95.04966	20.4
95.06068	3.8
96.37049	1.2
103.05466	20.5
105.04507	5.7
105.07019	100.0
106.07873	7.8
107.07333	2.0
111.04392	1.6
119.08578	12.0
120.05664	1.7
120.08882	1.4
121.02899	2.8
121.03992	2.7
121.06522	8.8
121.07306	1.2
121.10130	58.4
121.11018	2.8
121.64941	1.1
122.06123	2.2
122.07143	38.6
122.09635	3.3
122.10486	3.9
123.08076	8.1
133.07600	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02383	1.2
53.03942	8.3
53.14391	0.5
54.03471	2.1
55.01867	0.7
55.05505	1.3
65.03943	2.3
67.05488	1.0
71.40839	1.0
77.03927	1.6
78.04711	0.7
79.05487	37.5
80.05782	0.8
81.03420	1.0
81.04526	5.1
81.07021	0.7
82.05319	4.6
91.05477	17.1
93.07034	16.9
94.06561	1.1
94.07356	1.0
95.04966	12.2
95.06078	2.2
103.05463	19.2
104.06287	1.0
105.04542	3.6
105.07021	100.0
106.07236	1.9
106.07911	5.2
107.04945	25.5
119.07767	0.9
119.08573	14.7
120.05660	0.7
120.08926	0.7
121.02819	1.2
121.03992	0.6
121.06509	13.0
121.10132	47.8
122.07172	25.1
122.09648	1.2
122.10469	2.1
123.08063	11.1
133.07591	6.3
134.72490	0.6
138.06775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34972	0.3
50.40496	0.3
52.96228	0.3
57.03410	0.3
58.99863	1.3
69.71218	0.5
69.71639	1.4
77.00909	0.7
80.05009	0.5
82.01432	12.7
82.99835	1.3
83.01491	0.6
88.27184	0.3
92.82719	0.3
96.34909	0.3
98.21456	0.5
100.02469	58.8
101.00866	21.2
101.02534	3.2
118.03504	36.8
119.01902	100.0
123.04048	1.1
124.02447	0.4
131.01924	0.4
136.04547	1.2
137.02934	41.7
139.03429	0.5
141.05092	1.0
142.03470	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01863	1.5
56.76341	0.5
56.96548	1.6
57.02196	0.5
57.03433	3.0
58.99857	2.3
61.02905	2.2
67.05482	2.3
69.03412	1.9
70.76428	1.9
70.99849	1.4
73.02894	1.3
75.68422	0.5
77.00891	2.0
78.16979	0.6
79.05483	2.6
80.05011	6.4
81.03397	1.6
81.07032	1.5
81.57043	0.6
82.01427	10.3
82.99860	1.3
85.02897	1.2
86.52701	0.7
88.02670	1.6
89.00862	1.0
93.01896	0.6
95.04960	15.4
96.04484	3.6
97.02869	1.3
98.52689	0.7
98.97599	0.7
100.02471	57.5
101.00870	17.7
101.01551	0.7
101.02518	3.4
102.02366	2.1
105.03363	1.2
105.04502	0.7
106.02931	0.6
111.02931	0.8
112.03944	1.5
115.02456	0.8
115.74025	0.6
117.10239	0.7
118.01160	1.4
118.02644	1.1
118.03511	35.7
119.01910	100.0
119.03596	2.7
120.02024	0.9
121.01619	0.9
123.04391	3.9
123.05546	13.3
123.08048	1.0
124.02440	1.0
124.03931	7.5
131.01898	3.3
132.04996	0.6
133.03470	1.3
136.04585	0.7
137.02943	43.9
140.03464	1.0
141.05112	0.8
142.03482	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	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01583	1.5
51.02377	5.4
53.03690	0.7
53.03941	10.4
54.03463	2.0
55.01859	2.7
55.05497	0.7
56.05032	2.6
62.95350	0.5
65.03934	2.2
67.04244	0.5
67.05157	0.8
67.05499	14.4
68.05029	3.0
69.04523	0.7
70.06570	0.5
70.62724	1.8
77.03923	12.1
78.03442	0.9
78.04695	1.3
79.05482	3.2
80.05010	12.4
80.50845	0.5
81.03406	1.7
81.04528	3.4
81.07041	5.1
82.01444	0.8
82.06585	0.7
83.06099	4.4
93.07048	0.7
95.04961	43.4
95.06099	1.6
95.08619	2.4
96.04478	7.9
96.05272	1.4
96.08118	0.5
97.07644	2.2
100.02446	4.0
100.69598	0.5
105.03386	14.1
105.04465	4.7
107.06084	2.7
112.03947	2.4
118.03522	2.6
119.01921	3.7
121.05843	0.5
123.04416	100.0
123.05508	19.1
123.08046	2.3
123.09105	0.8
124.03930	11.6
124.04788	3.4
124.07782	0.9
124.08691	6.3
137.02924	1.9
140.03403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02358	1.5
53.03940	11.3
54.03458	3.7
55.01850	1.6
55.05505	11.5
56.04784	0.9
56.05027	10.4
57.03421	0.6
57.07043	1.6
57.58471	0.7
57.74412	0.8
65.03941	3.3
67.05497	62.0
68.05014	6.7
68.05809	1.7
69.03419	1.1
69.04536	1.9
69.07039	1.5
70.06564	2.9
71.31451	1.3
77.03896	2.0
78.03435	1.6
79.05483	16.2
80.05007	35.9
80.06259	1.6
81.03418	5.5
81.04530	8.9
81.05298	0.8
81.07047	49.2
82.01420	1.4
82.02893	0.9
82.04848	1.4
82.05287	1.7
82.06561	2.0
82.07368	0.8
83.05621	1.2
83.06093	14.3
91.05457	3.2
93.07044	9.5
95.01318	1.0
95.04958	100.0
95.06037	3.3
95.08595	39.1
95.09223	1.2
96.04479	22.2
96.05275	2.3
96.08117	1.5
96.08910	1.4
96.88772	0.7
97.04016	0.9
97.04865	0.7
97.07625	9.2
99.37547	0.7
100.02465	12.9
101.00919	0.9
105.04491	4.5
105.07013	3.8
106.02911	2.2
107.04945	1.9
107.06068	12.3
108.05727	7.7
112.03960	11.0
118.03507	12.0
118.04281	0.9
119.01907	10.8
121.06538	0.8
121.10117	0.8
122.07151	0.9
123.04455	18.9
123.05565	59.9
123.08083	70.0
123.09144	3.3
123.11680	11.6
124.03938	47.0
124.05889	2.2
124.07598	3.0
124.08698	22.0
137.02950	5.9
140.03381	5.8
141.01865	0.9
141.05098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01589	0.8
51.02361	1.3
53.00290	0.8
53.03944	9.8
54.03468	4.7
55.01849	2.6
55.02991	0.9
55.03796	0.9
55.05261	1.0
55.05503	16.9
55.75136	0.7
56.04777	0.9
56.05030	9.9
57.07069	4.2
58.06585	1.4
65.03931	4.3
66.03445	0.8
67.01837	0.8
67.02974	0.7
67.05497	70.1
68.05025	8.0
68.05816	2.2
69.03407	1.8
69.04540	2.2
69.07050	2.7
69.13074	0.6
70.06591	4.5
70.33784	1.5
70.34178	1.2
77.03915	2.2
78.03432	2.1
79.05484	20.1
80.05009	39.2
80.06240	1.5
81.03410	5.7
81.04529	11.7
81.07048	86.9
82.01418	1.1
82.04860	0.8
82.05304	2.2
82.06549	1.4
82.07374	2.0
83.05619	1.5
83.06093	14.1
84.06896	0.9
91.05468	3.2
93.07030	13.2
94.07809	1.2
95.01334	0.8
95.04959	100.0
95.06033	2.9
95.08596	52.4
96.04482	23.1
96.05281	2.4
96.06393	1.0
96.08136	1.7
96.08881	1.2
97.03963	0.6
97.07641	11.4
97.08273	0.4
98.21399	0.8
100.02477	11.2
101.00871	0.8
103.05390	0.8
105.03380	0.6
105.04489	5.1
105.06986	4.7
106.02930	1.8
106.04852	0.9
106.06557	0.9
107.04951	2.2
107.06063	13.1
108.05735	10.8
108.07645	1.1
112.03954	13.1
118.03507	10.9
118.10604	0.6
119.01913	8.2
119.03643	1.1
121.06494	1.4
121.10197	1.0
123.04453	20.2
123.05566	56.6
123.08089	60.8
123.09125	3.1
123.09968	1.5
123.11690	17.6
123.12553	1.3
124.03940	46.6
124.05902	2.3
124.07625	2.1
124.08702	23.7
137.02917	4.8
140.03407	6.0
141.01811	1.4
141.05141	1.0
142.03511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03934	5.9
54.03446	0.9
55.01863	1.2
55.05504	21.9
56.05025	1.7
57.03432	0.6
57.25965	0.5
61.14214	0.5
65.03923	4.2
67.05498	93.5
68.05022	0.8
68.05825	3.0
69.23138	5.8
70.06586	0.7
77.03935	0.6
79.05481	8.4
80.05004	6.1
80.05817	0.5
80.06264	2.3
81.03412	7.8
81.04530	1.6
81.07049	9.3
82.05312	0.6
83.04974	1.3
83.05672	0.5
83.06081	2.7
89.08728	0.5
91.05473	5.3
93.07037	18.7
94.64569	0.5
95.04958	60.4
95.08597	61.2
96.04491	3.4
96.05281	1.5
96.08927	1.9
97.07649	2.0
97.88684	0.5
97.99772	0.5
98.20695	1.0
100.02477	2.7
103.05443	0.9
103.39973	0.4
105.04516	1.4
105.07018	4.0
106.02962	0.6
107.04930	1.8
107.06072	2.2
108.05733	4.7
112.03981	2.6
118.03522	2.0
119.01925	0.8
123.04439	2.3
123.05543	10.5
123.08057	100.0
123.11685	1.4
124.03951	7.5
124.08483	6.4
140.03406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02379	1.9
52.49414	0.8
53.03943	11.9
54.03459	3.3
55.01865	2.5
55.05252	1.2
55.05505	16.8
56.05030	4.6
58.06588	1.0
65.03937	5.2
65.53213	0.8
66.03432	1.0
67.05498	75.5
68.05025	4.7
68.05828	1.7
69.43377	2.6
69.43790	4.7
70.06583	2.1
77.03880	1.0
78.03429	1.7
79.05484	11.2
80.05010	36.6
80.06271	1.5
81.03408	8.2
81.04535	6.4
81.07050	23.6
82.01437	1.6
82.04840	1.2
82.05304	1.3
82.06588	1.1
83.05655	1.6
83.06088	7.7
91.05467	4.7
93.07033	15.1
95.01318	1.3
95.04959	100.0
95.08597	46.9
96.04494	21.8
96.05280	4.5
96.08089	1.7
96.08920	2.0
97.07649	7.0
100.02486	8.7
101.02583	1.1
103.05524	1.6
105.03362	1.2
105.04502	4.9
105.07021	3.2
106.02946	1.3
107.04961	1.5
107.06087	6.7
108.05694	5.2
112.03955	14.5
118.03512	10.0
119.01945	2.9
123.00856	1.2
123.04453	17.1
123.05561	57.2
123.08074	77.4
123.11713	3.9
124.03941	55.2
124.04887	1.8
124.05884	1.8
124.07613	2.3
124.08705	19.3
137.02940	1.7
140.03426	6.7
141.01881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02365	1.6
53.03938	8.2
54.03468	3.5
55.01867	2.5
55.05506	14.9
56.05028	8.4
57.07056	2.2
58.06600	1.0
65.03931	4.8
66.03455	0.7
67.02990	0.9
67.05495	71.2
68.05021	6.0
68.05819	2.3
69.03430	0.6
69.04538	1.7
69.05363	0.5
69.07049	1.1
70.06582	3.5
71.53104	0.5
77.03931	1.5
78.03462	1.4
79.05108	0.4
79.05481	15.8
80.05006	32.6
80.06281	1.6
81.03414	7.2
81.04529	11.0
81.05327	0.9
81.07045	47.7
82.01451	0.8
82.04863	1.1
82.05325	1.9
82.06554	1.1
82.07382	1.4
83.04984	0.6
83.05656	1.0
83.06089	12.7
84.06876	0.6
87.73675	0.4
91.05464	3.9
93.07035	14.0
94.04229	0.6
94.06548	0.9
95.01340	1.3
95.04957	100.0
95.08592	48.4
96.04484	21.2
96.05277	2.8
96.06345	0.8
96.08125	1.3
96.08904	1.5
97.07636	8.0
100.02463	10.0
101.02591	0.7
103.05479	0.7
103.25360	0.5
105.03419	0.6
105.04494	4.6
105.06997	3.1
106.02916	1.5
106.07401	0.7
107.02444	0.6
107.04932	1.4
107.06061	10.4
107.06764	0.7
108.05728	5.8
109.66582	0.4
112.03950	11.3
118.03512	9.4
119.01904	5.1
119.03601	1.0
121.06425	0.6
121.10126	0.6
123.00794	0.8
123.04448	15.8
123.05556	53.6
123.08075	75.4
123.09118	2.6
123.11672	6.9
124.03936	39.8
124.05890	1.5
124.07610	2.0
124.08693	20.8
137.02972	3.8
140.03389	5.9
141.01794	1.3
141.05083	0.6
141.06657	0.7
142.03375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02363	1.0
53.03943	5.7
55.01864	1.6
55.05505	19.4
56.05033	2.0
56.46938	0.5
58.46892	0.5
63.60400	0.6
65.03931	3.5
67.05498	91.3
68.05028	1.1
68.05827	2.4
69.26493	3.6
69.26916	2.5
70.06587	1.3
77.03900	0.8
78.03429	0.7
79.05486	6.8
80.05007	9.5
80.05794	0.6
80.06280	2.4
81.03412	9.0
81.04527	1.8
81.07049	14.3
82.01440	0.8
83.06097	2.6
91.05465	5.3
93.07034	19.1
95.04958	64.6
95.08595	57.2
95.23247	0.7
96.04500	4.8
96.05305	2.4
96.08936	2.5
96.14275	0.7
97.07649	2.3
97.68203	0.6
98.21497	1.2
100.02465	3.8
103.05471	0.9
105.04494	2.0
105.07009	4.9
107.04937	1.4
107.06084	2.0
108.05733	3.8
111.84762	0.5
112.03952	2.7
118.03513	2.2
119.01903	1.3
121.06455	0.6
123.04428	3.5
123.05547	16.1
123.08060	100.0
123.11683	2.2
124.03944	14.9
124.04891	0.7
124.05878	0.6
124.07561	1.0
124.08550	5.3
140.03424	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	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01857	1.0
55.05500	5.2
56.53603	0.5
57.07065	4.9
65.03935	1.8
67.05495	19.1
68.05012	1.4
68.05837	0.7
69.04583	0.4
69.07054	2.9
70.27306	1.6
77.03934	0.5
79.05483	17.2
80.05008	15.7
80.05758	0.6
81.07045	100.0
82.07354	2.6
91.05459	0.6
93.07040	3.2
94.07815	0.9
95.01304	0.9
95.04955	17.7
95.08593	18.4
96.04472	10.5
96.05148	0.7
96.05312	0.6
96.08096	0.6
96.08886	0.5
100.02473	4.5
103.49853	0.5
105.04494	1.3
105.07028	2.1
106.02936	0.8
107.04969	0.7
108.05746	2.2
108.09402	1.0
112.03942	6.2
118.03506	3.7
119.01884	2.4
121.10125	1.6
121.29384	0.4
123.04443	4.9
123.05544	27.7
123.08051	16.7
123.09093	0.9
123.11688	23.6
124.03938	24.6
124.05841	1.3
124.07587	2.0
124.12014	0.7
125.19363	0.5
137.02985	1.3
140.03387	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	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03946	5.0
55.01847	0.7
55.05502	5.1
57.07066	4.8
65.03946	1.7
67.01834	0.6
67.05497	16.3
68.05016	1.6
69.07068	3.2
71.53680	1.2
76.39389	0.6
79.05481	18.2
80.05006	20.4
80.05743	0.8
81.07045	100.0
82.07381	3.2
93.07040	2.6
94.07826	1.2
95.01334	0.6
95.04955	20.6
95.08591	16.8
96.04483	11.9
96.05143	0.9
100.02464	6.4
101.02538	0.6
105.04494	1.5
105.07029	1.2
108.05723	0.9
108.09368	1.3
112.03948	8.0
118.03501	5.2
119.01898	2.6
120.05843	0.6
121.10133	1.2
123.04410	5.1
123.05529	32.4
123.08037	5.1
123.11695	22.4
124.03938	30.3
124.05880	1.4
124.07563	1.6
124.12006	1.4
137.02910	2.1
140.03397	4.6
141.05028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03941	7.1
54.03467	3.8
55.01861	1.6
55.05507	6.0
56.05030	6.4
57.07066	5.5
58.06593	1.5
65.03942	2.7
66.03453	1.0
67.05496	23.9
68.05022	6.1
69.03420	0.9
69.04554	1.2
69.07072	3.0
69.29678	0.9
69.30078	5.1
70.06578	2.3
77.03917	1.4
78.03448	1.7
79.05481	18.9
80.05008	21.7
80.05763	0.9
81.03416	1.7
81.04532	8.0
81.07044	100.0
82.04860	0.8
82.05322	1.5
82.06587	0.9
82.07373	4.1
83.05617	1.0
83.06094	11.7
93.07037	3.3
94.07790	1.5
95.01333	1.3
95.04955	54.4
95.06094	2.7
95.08595	18.9
96.04481	12.0
96.05281	2.3
96.06394	1.0
96.08964	0.6
97.07643	6.1
98.21557	0.9
100.02477	6.6
105.03383	1.0
105.04482	3.1
105.07022	2.3
106.02909	0.6
106.06514	0.8
107.06075	9.2
108.05734	3.3
108.09385	0.7
112.03944	7.8
118.03506	5.8
119.01906	4.3
119.08396	0.6
121.04878	0.5
121.10109	1.2
123.04419	17.6
123.05534	32.3
123.08057	12.4
123.09162	2.0
123.11685	21.9
124.03936	27.5
124.05887	1.1
124.07693	1.2
124.08698	16.2
124.12055	0.9
125.07143	0.6
137.02957	2.5
140.03430	3.5
141.01808	0.8
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
51.02359	0.9
53.03940	9.6
54.03468	3.0
55.01840	1.9
55.05507	10.2
56.04774	0.6
56.05027	7.2
57.07069	4.4
58.06572	1.5
64.06540	0.5
65.03939	2.7
66.03439	0.9
66.04726	0.7
67.01856	0.5
67.05498	45.0
68.05021	6.8
68.05820	2.2
69.03423	0.7
69.04538	1.3
69.07051	3.5
70.06575	3.0
71.56745	0.7
77.03925	1.7
78.03439	1.0
79.05487	20.8
79.82580	0.5
80.05010	28.3
80.06257	0.8
81.03412	2.2
81.04539	9.9
81.07048	100.0
82.01444	1.0
82.05315	1.4
82.06557	1.7
82.07384	3.4
83.05609	1.2
83.06096	13.2
91.05486	1.9
93.07037	7.3
95.01319	0.8
95.04960	65.7
95.06086	1.7
95.08596	41.8
96.04496	15.1
96.05297	2.5
96.08101	1.1
96.08945	1.4
97.03952	0.5
97.07648	9.6
100.02481	6.9
103.05504	0.7
105.03403	1.5
105.04495	4.0
105.07015	4.3
106.02929	0.9
106.04811	0.6
106.06623	0.6
107.04983	1.2
107.06059	10.6
107.06732	0.8
108.05730	4.7
108.07722	0.6
108.09373	1.1
112.03954	7.3
112.04598	0.6
115.00903	0.5
118.03522	5.9
119.01906	5.3
121.06497	0.8
121.10182	0.9
123.04479	16.7
123.05592	39.7
123.08112	22.0
123.09187	2.8
123.10007	0.8
123.11692	20.9
124.03940	37.3
124.05941	1.4
124.07639	2.4
124.08695	20.5
124.12048	0.8
125.07149	0.9
131.37575	0.6
137.02925	3.0
140.03409	4.4
141.01871	0.8
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
51.02378	0.7
53.00301	0.9
53.03939	8.7
54.03458	1.8
55.01860	1.4
55.05507	5.6
56.05034	4.0
57.07068	5.2
58.06585	0.9
65.03932	1.9
66.82364	0.7
67.05496	20.0
68.05025	3.1
68.05825	1.0
69.07054	2.5
70.06586	1.3
71.56056	0.9
71.69682	0.6
77.03929	1.3
78.03446	1.1
79.05481	18.1
80.05011	32.7
81.03419	1.6
81.04533	4.7
81.07048	100.0
82.01437	1.3
82.05330	0.8
82.06578	0.8
82.07381	2.8
83.06087	4.2
93.07040	3.2
94.07817	1.5
95.04962	49.1
95.06002	1.6
95.08588	15.4
95.09145	1.1
96.04484	21.4
96.05267	1.8
96.06378	0.7
96.08125	0.9
97.07653	4.9
100.02478	11.3
101.00931	0.7
105.04519	2.8
105.07089	0.8
106.02912	1.7
106.30053	0.6
107.06076	4.6
108.05740	1.1
108.09428	0.7
112.03950	11.6
114.13988	0.7
117.01707	0.6
118.03503	10.2
119.01917	4.6
119.03661	1.5
121.10120	1.3
123.04449	9.4
123.05556	53.3
123.07380	2.4
123.08180	8.2
123.08985	1.3
123.09990	0.9
123.11688	18.9
124.03943	50.7
124.05871	1.6
124.07611	3.3
124.08707	10.6
137.03001	2.2
140.03407	6.8
141.05090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35004	0.6
51.02366	0.8
53.03945	7.1
54.03458	2.4
55.01865	1.5
55.02991	0.7
55.05506	5.1
55.13390	0.6
56.05040	4.2
57.07069	4.3
65.03928	1.0
65.17442	0.5
66.03456	0.7
67.01839	0.6
67.05497	22.2
68.05015	2.2
69.04517	0.7
69.07050	2.3
69.88649	1.7
69.89066	2.1
70.06587	1.9
70.35025	0.6
74.23674	0.5
77.03926	1.7
77.53062	0.6
78.03443	1.1
79.05486	17.7
80.05011	28.7
81.03412	1.3
81.04541	3.7
81.07050	100.0
82.01463	1.4
82.04869	1.1
82.05330	0.8
82.07384	3.0
83.06120	4.3
85.43436	0.6
91.05450	0.7
93.07033	2.1
94.91505	0.6
95.01350	1.1
95.04961	44.0
95.08598	13.7
95.20513	0.7
96.04488	16.7
96.05234	0.8
96.08123	0.9
97.07642	5.0
100.02473	12.5
100.25735	0.7
101.02573	0.6
105.03365	0.8
105.04501	2.3
105.06979	1.5
106.02892	1.1
107.04931	0.7
107.06075	4.5
108.05719	3.0
112.03967	10.1
115.59357	0.6
118.03512	10.7
119.01907	4.3
121.10133	1.2
123.00784	1.1
123.04453	10.8
123.05557	48.3
123.07327	1.3
123.08144	13.3
123.09135	1.3
123.10046	0.9
123.11697	17.2
123.12566	1.0
124.03948	41.5
124.04917	1.6
124.05898	1.8
124.07610	2.9
124.08707	8.1
137.02959	2.5
140.03433	5.4
141.01817	1.1
141.05101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
55.92924	0.2
56.96556	0.7
57.03418	0.3
58.99860	1.7
61.02892	0.2
64.64874	0.2
69.03436	0.2
69.73161	1.4
69.77625	0.2
70.99849	1.4
77.00911	1.1
78.03426	0.2
80.05001	0.8
82.01411	0.3
82.99829	1.0
83.01515	0.6
84.01196	0.4
88.98853	0.2
89.00876	0.9
95.01941	0.4
96.04481	0.5
97.02901	0.3
100.02466	1.7
101.00864	19.8
101.02534	3.2
102.00970	0.8
102.02203	1.7
118.03490	1.0
119.01902	100.0
120.01978	4.8
120.03275	0.9
121.01579	0.3
121.02354	0.5
124.02468	0.4
124.03928	4.1
124.07595	0.3
124.08610	0.2
129.89650	0.2
130.26453	0.3
133.01653	0.3
133.03426	0.4
137.02936	39.1
138.03015	2.1
142.03477	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78191	0.6
70.78548	0.3
78.01565	0.2
81.41315	0.2
82.01429	0.3
82.27814	0.2
82.99847	0.9
83.01517	0.6
84.01204	0.4
91.51267	0.2
99.60851	0.2
100.02465	1.2
101.00868	17.9
101.02544	2.1
101.46300	0.2
101.72330	0.2
102.00911	0.9
102.02236	1.2
107.73232	0.2
112.38638	0.2
118.03499	0.6
118.25610	0.2
118.69903	0.2
119.01908	100.0
120.01990	4.0
120.03278	0.5
121.02359	0.4
124.02469	0.5
124.04062	0.2
125.88824	0.2
130.28606	0.2
137.02940	36.7
138.03012	1.5
142.03494	6.1
143.03664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
52.01897	0.3
53.03931	1.1
54.03455	1.1
54.93767	0.2
56.05028	4.7
56.96559	0.4
58.06583	0.9
66.03453	0.6
66.57510	0.3
67.04226	0.9
67.05483	0.3
68.05016	3.1
68.05823	0.3
69.03388	0.7
69.04533	1.2
70.06580	1.3
70.85394	0.9
78.03441	2.2
79.05470	1.0
80.05003	26.5
81.04534	4.3
81.05323	0.9
81.05772	0.5
82.05297	0.5
82.06540	0.4
83.05016	0.4
83.06090	9.0
95.05017	0.3
95.06060	0.4
96.04477	17.6
96.05262	1.5
96.06844	0.3
96.08101	0.5
97.02882	2.2
97.04800	0.4
97.06529	0.2
97.07629	5.2
98.06064	0.4
101.00857	4.0
101.02565	0.6
102.02227	0.7
105.01968	0.3
107.06060	6.8
109.05284	0.3
112.03960	4.0
119.01900	23.6
120.02006	1.7
120.03214	0.3
124.03933	100.0
124.07584	0.8
124.08685	9.3
125.02346	1.2
125.04295	2.6
125.05985	0.4
125.07128	1.9
137.02930	12.8
138.03058	1.0
140.03387	2.8
142.03481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14994	0.6
53.03950	1.8
55.01866	0.9
55.02991	1.1
55.05513	2.2
56.05031	5.7
56.96569	1.5
57.03421	1.1
57.07071	44.0
58.06595	1.1
58.07407	1.4
59.06123	3.1
67.05510	1.4
68.05030	0.8
69.03425	47.7
69.07059	5.7
70.03751	1.1
70.06586	2.2
70.81916	1.9
71.04994	2.2
72.04516	2.0
72.08153	10.1
72.29041	0.7
74.09714	27.0
75.10051	0.7
82.06573	3.8
83.06112	0.8
84.04496	35.5
84.08136	29.3
85.04032	1.1
85.04829	1.5
85.07661	3.3
87.09221	1.6
91.05484	3.0
94.06584	1.1
95.04959	2.6
98.04813	0.7
103.05464	24.2
103.06117	1.6
110.94357	0.7
112.07596	100.0
113.05900	0.8
113.07118	3.2
113.07932	5.6
113.10757	0.8
130.02151	0.9
130.04984	1.9
130.06528	24.8
130.08629	18.8
130.09656	1.3
130.15906	49.3
131.04938	5.3
131.06845	1.3
131.08568	2.9
131.16241	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.2
50.37675	0.1
50.41451	0.2
51.02377	0.5
53.03941	5.3
53.04198	0.3
53.48375	0.2
55.01855	0.4
56.49811	0.2
56.96558	0.5
57.03434	0.2
62.43806	0.1
64.05128	0.2
69.03419	0.3
69.77825	0.9
69.78231	0.3
70.03732	0.4
72.04541	0.2
72.98522	0.2
73.29536	0.2
77.03918	0.9
81.03423	0.5
85.04816	0.3
85.08427	0.2
86.06039	0.2
91.05457	1.1
95.04958	7.3
98.97591	0.3
102.04672	1.6
103.05453	100.0
104.05782	3.8
105.04494	1.8
105.75432	0.2
113.07952	0.7
115.05387	0.2
116.06234	0.5
116.98603	0.2
131.04910	13.5
131.08496	0.8
132.05301	0.6
132.08069	0.3
144.08073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03915	0.3
55.01853	0.3
56.05020	0.5
56.96561	1.3
57.03419	0.3
57.05803	0.6
58.06594	1.0
58.99567	0.3
59.04974	0.2
61.01138	0.9
67.05473	0.3
69.03413	0.3
69.07057	23.7
70.06540	0.3
70.07388	0.8
70.98028	0.6
71.04978	0.3
73.06575	0.2
74.06065	0.4
86.09692	100.0
87.02669	1.7
87.09483	0.2
87.10011	3.4
91.05499	0.2
98.97572	0.4
105.00032	0.2
105.07011	0.4
132.10222	0.7
133.09731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02375	0.8
53.03941	3.6
55.01863	7.3
55.05484	0.9
57.09587	0.5
58.05334	1.4
62.66064	0.5
65.03916	1.0
69.54568	2.2
69.55000	1.5
75.05581	0.9
77.03912	2.2
77.94704	0.5
78.04677	0.7
79.05482	24.9
80.05814	0.9
81.03387	0.5
87.05564	0.5
91.05470	5.3
93.07036	1.2
95.04948	6.8
103.05452	16.1
105.03397	2.4
105.04517	1.8
105.07015	100.0
106.07350	3.4
115.05448	4.4
117.06962	0.6
118.07797	0.8
131.04945	0.8
131.08546	0.9
133.02794	1.1
133.06471	52.4
133.10118	7.2
134.03642	0.7
134.05960	1.1
134.06909	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	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
51.27065	0.3
53.03944	3.0
53.80336	0.3
55.01869	4.7
55.05502	0.6
56.05010	0.3
56.83640	0.4
58.05332	1.5
59.06123	0.3
65.03914	0.5
67.05502	0.4
70.06576	0.4
71.52414	0.5
73.04047	0.6
75.05614	1.5
76.94545	0.3
77.03928	1.2
77.87920	0.3
78.04692	0.4
79.05485	18.7
85.04010	0.8
87.05580	0.8
91.05471	5.9
93.07043	1.1
94.04175	0.5
95.04955	3.9
103.05455	12.5
103.06139	0.7
104.05730	0.4
105.03388	1.3
105.07017	100.0
106.06624	0.5
106.07352	3.2
107.04948	1.5
115.05441	5.2
117.07013	1.1
118.07772	0.7
131.04913	1.6
131.08577	1.4
132.05649	0.6
133.02850	1.4
133.06476	71.7
133.10112	8.7
134.05936	0.9
134.06885	2.5
138.99669	0.4
143.06049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03939	1.8
55.01863	0.9
55.05509	3.7
58.05342	0.8
65.03930	0.5
67.05495	1.3
70.74265	1.4
73.57104	0.5
74.67546	0.6
77.03918	1.1
78.91446	0.6
79.04513	0.5
79.05485	10.5
80.34906	0.5
87.05592	0.5
90.83078	0.6
91.05474	28.7
92.05785	1.2
92.06294	0.6
93.07034	5.1
95.04992	2.6
103.05454	5.4
104.06288	0.8
105.03403	0.8
105.07019	100.0
106.06600	0.9
106.07355	5.0
107.06085	0.6
107.08566	1.1
111.06642	0.5
115.05447	5.8
116.06240	1.0
117.07028	5.0
118.07819	5.2
129.07027	0.9
131.08546	9.3
132.08971	0.9
133.02846	1.5
133.06514	6.5
133.10118	50.9
134.05997	1.9
134.07025	1.3
134.09601	0.7
134.10475	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02362	0.8
53.03932	2.6
55.01856	1.7
55.05500	2.8
58.05332	2.5
65.03945	1.2
67.05487	0.9
70.06569	0.6
71.52767	0.6
75.05595	1.8
77.03909	1.5
78.04707	0.9
79.05488	12.8
80.05006	0.5
85.04019	2.0
87.05581	0.8
91.05470	26.9
92.05803	1.0
93.07030	6.2
95.04964	3.9
96.08755	0.6
103.05453	8.5
105.03374	1.6
105.07017	100.0
106.06540	1.7
106.07352	4.7
106.10588	0.5
107.04982	0.6
107.08542	1.3
115.05460	7.8
116.06284	0.8
117.07002	7.4
118.07800	7.6
131.08559	8.1
133.02837	1.7
133.06482	23.2
133.07523	1.1
133.10112	64.7
134.03671	0.8
134.05995	2.5
134.07013	2.4
134.10495	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	1.3
55.05496	3.6
67.55620	0.7
68.96465	0.8
79.05484	7.0
83.03094	0.8
91.05471	31.9
92.05787	1.5
93.07043	4.6
95.04972	1.4
98.20698	2.2
103.05460	2.8
105.07021	100.0
106.07355	3.7
107.08527	0.8
115.05449	2.8
117.07010	3.9
118.07786	3.3
131.08566	7.7
133.06488	1.5
133.10120	42.8
134.06010	1.1
134.10449	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03926	2.0
55.05504	3.9
65.03906	1.0
67.05481	1.1
69.46976	6.0
70.42683	0.6
79.05484	9.1
84.94220	0.7
89.56850	0.7
91.05470	35.1
92.05789	1.0
93.07019	7.2
95.04960	2.5
103.05455	5.2
105.07015	84.1
106.07351	3.1
107.08539	1.6
107.55244	0.7
115.05450	7.8
116.06234	1.6
117.07001	9.9
118.07803	10.7
129.07008	1.3
131.08553	9.3
133.06479	3.0
133.10110	100.0
134.05989	1.9
134.10460	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02369	0.3
53.03931	1.0
53.33714	0.2
55.05503	2.5
65.03922	0.6
67.05494	0.8
67.70560	0.2
70.81931	0.5
77.03904	0.3
79.05487	7.1
80.05798	0.2
89.51866	0.2
91.05471	21.1
92.05795	0.8
92.06301	0.3
93.07037	5.9
94.07363	0.2
95.04966	1.8
103.05453	3.9
105.07020	54.3
105.97549	0.2
106.07345	2.4
107.08581	1.7
109.06505	0.2
115.05441	7.1
116.06297	1.3
117.07006	8.7
117.07842	0.5
118.07797	9.0
119.08125	0.5
129.06989	0.8
131.08554	7.3
132.08859	0.2
133.10115	100.0
134.10452	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	2.0
55.01847	0.4
55.05504	2.7
65.03912	0.4
65.42609	0.3
67.05495	1.1
70.67484	0.8
77.03915	0.8
79.05486	9.3
80.05815	0.4
87.05598	0.3
91.05470	25.3
92.05787	1.0
92.06280	0.7
93.07024	5.7
95.04971	2.0
103.05457	4.9
105.03387	0.5
105.07018	68.0
106.06622	0.4
106.07327	3.0
107.08571	1.5
115.05439	8.4
116.06222	1.2
117.07005	10.0
118.07796	9.2
119.08114	0.3
123.07908	0.3
129.06998	0.7
131.08562	7.8
131.09502	0.6
132.08879	0.4
133.02837	0.4
133.06583	2.6
133.10114	100.0
134.06020	1.1
134.07108	0.8
134.10446	6.9
150.09816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.56236	0.6
53.03936	1.8
55.05495	3.6
64.83276	0.5
65.03941	0.9
67.05495	1.1
70.68892	0.8
70.69226	1.0
77.03934	1.1
79.05485	9.9
89.21029	0.5
91.05469	29.3
92.05795	1.1
93.07021	5.3
95.04948	2.4
95.24315	0.5
103.05447	5.2
105.03366	0.9
105.07018	100.0
106.07317	3.9
107.08608	0.7
115.05444	5.5
116.06214	1.0
117.07015	5.6
118.07801	7.2
129.06956	0.6
131.08566	8.7
133.02837	0.8
133.06503	4.7
133.10115	56.9
134.05969	0.9
134.10463	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02342	0.8
53.03946	3.2
53.35733	0.7
55.05499	3.3
60.48387	0.6
65.03921	1.3
67.05491	1.0
69.03407	0.8
70.66740	1.5
70.67102	1.3
76.83411	0.7
77.03909	1.3
79.05485	10.9
84.41119	0.6
88.04011	0.5
91.05471	31.4
92.05770	1.6
92.06293	0.7
93.07036	7.0
95.04946	3.2
95.28108	0.7
97.02869	0.7
103.05466	6.3
105.03394	3.6
105.07018	100.0
106.06660	0.8
106.07329	4.0
107.08608	0.9
112.02258	0.7
115.05435	8.9
116.06198	1.5
117.06995	10.4
118.07789	10.8
129.07001	1.0
131.08546	10.2
133.02856	1.1
133.06563	4.9
133.10115	90.4
134.05981	2.7
134.07053	1.6
134.10478	5.4
151.03818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35567	4.5
55.01858	6.6
56.96544	8.9
57.03423	13.7
63.40880	3.9
69.52811	20.6
69.53230	14.4
70.06583	36.1
71.04981	60.1
72.10345	3.7
73.02899	4.5
74.02427	100.0
76.29464	4.8
76.46626	4.1
81.03394	8.4
86.52686	12.2
88.02685	5.0
88.03976	50.9
88.07618	18.4
88.51673	4.4
95.53232	5.5
100.02462	10.9
111.02930	8.1
118.03537	12.8
119.01904	34.5
119.02662	6.1
120.02013	11.3
121.01681	7.2
125.99193	8.5
128.49484	6.7
131.01906	9.3
134.05972	8.6
137.02948	7.0
137.49985	23.5
138.49948	6.8
140.51323	5.4
142.03500	20.5
143.03764	5.2
144.03242	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	134.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77890	0.4
53.03951	0.5
54.37771	0.4
55.01860	3.3
55.05514	0.6
56.05029	3.8
56.96559	3.4
57.03431	3.7
57.05372	0.4
58.06593	3.1
58.47472	0.5
58.99837	0.6
61.02932	0.6
65.03934	0.4
67.05482	0.4
68.50909	0.4
68.51373	0.4
68.54239	0.4
69.03415	1.8
70.02950	1.1
70.06586	73.2
70.72939	1.3
71.04986	100.0
71.06926	1.4
72.05317	2.4
72.08150	10.5
73.02915	4.6
74.02434	38.3
74.06061	2.2
75.01891	0.8
75.02783	0.8
76.34964	0.4
77.00894	0.5
79.05470	3.0
81.03392	1.1
82.01408	0.6
83.05009	0.4
85.02896	0.8
86.52666	0.7
88.02690	2.0
88.03983	18.2
88.07622	31.1
89.03897	1.4
89.07967	0.9
90.09183	8.2
93.01885	1.5
93.53474	0.9
95.04957	0.7
95.53166	0.4
98.06053	6.5
99.04466	0.9
100.02460	2.4
101.00871	3.1
102.02396	1.7
106.06555	2.1
107.04935	2.0
111.02917	3.3
111.53007	0.7
113.00879	0.5
113.53210	0.7
115.02470	0.6
116.03478	1.0
116.07099	2.9
118.03510	1.9
119.01922	7.3
120.02008	1.0
121.01611	1.0
124.02433	1.1
131.01865	2.6
133.03452	0.6
134.06023	4.9
134.07042	0.7
134.08105	4.0
134.09610	0.6
134.11754	18.4
135.04405	1.8
135.06442	0.5
135.12099	0.6
137.02957	1.3
138.02989	0.4
142.03487	8.4
143.03612	0.7
147.04897	0.5
149.02942	0.8
151.28632	0.5
152.63051	0.4
154.03485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03940	2.9
55.01872	0.6
63.02357	5.1
70.09084	2.1
70.09496	1.2
77.03934	0.8
79.05486	13.9
81.03410	0.8
81.97953	0.7
89.03909	100.0
90.04229	3.4
91.05441	0.6
91.58553	0.6
93.07034	0.6
95.04954	7.4
98.21445	0.6
99.98763	0.7
101.03689	0.7
105.04511	1.5
107.04263	1.3
107.04950	16.3
117.03368	34.5
118.03723	1.6
135.04402	61.3
136.02184	2.1
136.04747	2.7
145.03966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02378	1.0
53.03937	5.5
55.01851	1.2
55.05490	2.4
56.38159	0.9
57.96016	0.8
63.02356	5.1
65.03928	1.8
67.05492	0.9
68.05013	1.8
69.92776	4.6
77.03923	1.0
79.05049	1.4
79.05481	22.4
80.05820	0.9
81.07030	1.2
87.05576	1.4
89.03905	100.0
89.89235	0.6
90.04221	2.7
91.05464	14.9
93.07027	10.4
94.06543	1.1
95.04948	8.9
95.06051	1.2
96.06841	0.9
105.04508	2.2
105.07018	4.7
107.04945	24.0
107.08581	15.0
109.01087	1.1
109.06498	1.9
109.07612	2.9
115.05454	4.1
117.03361	32.7
117.07012	2.2
118.03732	1.7
119.06026	1.3
119.08566	1.6
135.04401	62.0
135.08051	6.2
135.11674	2.6
136.02147	13.3
136.04756	2.1
136.06166	2.1
136.07608	1.8
136.08630	1.6
145.03993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
58.47306	1.0
63.02358	4.3
68.05004	1.2
71.01591	1.8
79.05482	16.4
87.05595	2.4
89.03908	100.0
90.04266	2.2
91.04938	1.0
91.05476	3.7
93.07006	1.7
95.04963	7.3
96.06868	1.0
97.20510	0.9
105.04518	3.1
105.07031	1.0
107.04948	15.5
107.08598	2.6
117.03366	35.3
118.03712	2.0
135.04407	57.9
135.08061	1.7
136.02161	5.3
136.04781	2.4
136.06152	2.0
136.08716	1.3
145.04039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0802
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.35029	1.0
52.82161	0.9
53.03940	6.7
54.03466	1.8
55.01858	4.7
55.05499	4.2
62.83817	0.9
63.02366	1.7
65.03929	12.8
67.02962	1.6
67.05499	7.8
67.59220	0.9
68.05015	7.8
69.03424	2.6
69.07054	2.5
69.53815	7.2
74.35099	1.0
77.03923	1.7
79.05483	62.7
80.04998	1.8
80.05843	2.6
81.03401	1.2
81.04536	1.1
81.07040	4.0
82.06570	1.2
87.05598	1.6
89.03909	30.8
90.04195	1.3
91.05468	96.1
92.05784	3.1
92.06256	3.2
93.06465	1.9
93.07032	28.8
94.04070	1.4
95.04961	12.3
95.06067	3.9
96.06863	8.0
101.53184	1.0
105.04492	4.2
105.07017	34.2
106.07335	1.2
107.04942	17.1
107.06062	1.8
107.08577	80.2
108.04453	1.2
108.05566	1.1
108.08126	1.7
108.08915	3.2
109.01100	5.8
109.06488	11.0
109.07633	6.2
115.05444	20.5
116.06202	1.0
117.03368	11.8
117.06999	11.2
119.04989	0.8
119.05248	1.1
119.06050	8.3
119.08557	6.8
120.05724	2.7
120.09327	2.5
121.06498	1.7
135.04414	29.9
135.06583	2.9
135.08035	100.0
135.11656	13.2
136.02148	67.7
136.03876	2.5
136.05090	2.2
136.06175	12.0
136.07536	3.9
136.08551	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	135.0803
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.90731	0.9
53.03940	6.0
55.01867	4.6
55.05504	4.8
57.58677	0.8
61.18191	1.0
65.03934	9.5
67.05493	5.8
68.05009	3.9
69.03420	2.1
69.07047	1.5
69.99776	1.5
70.00189	3.4
79.05481	47.3
80.05035	1.1
80.05816	1.1
81.07056	2.4
89.03870	0.9
91.05470	95.2
92.05778	2.9
92.06264	2.5
93.05799	1.2
93.07033	16.7
94.07341	1.6
95.04961	9.0
96.06870	2.2
105.04506	1.6
105.06306	0.8
105.07012	29.9
107.04945	9.1
107.08578	66.0
108.08908	3.3
109.01083	3.5
109.06502	12.1
109.07604	1.8
112.68272	0.9
115.05444	20.2
117.07007	11.1
119.06030	5.8
119.08549	3.5
120.05687	2.2
121.06509	2.0
135.04480	5.5
135.08037	100.0
135.11642	7.8
136.02142	52.4
136.03902	2.7
136.05199	1.8
136.06151	9.4
136.07532	3.3
136.08466	6.1
137.04558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	6.0
55.01868	14.4
55.05501	2.2
57.05544	0.9
65.03937	11.9
67.05505	6.4
68.05005	1.5
68.14561	0.8
69.03424	13.0
71.11523	1.9
77.03915	1.0
77.87989	0.9
78.46882	0.9
79.05485	56.3
80.04987	1.8
80.05800	1.4
81.03400	1.4
81.07040	2.6
89.03918	1.3
91.05471	100.0
92.05795	3.5
92.06297	2.1
93.05818	1.0
93.07036	18.6
95.04954	11.8
105.04561	1.6
105.07022	33.4
107.04957	11.3
107.08582	57.7
108.08145	1.2
108.08904	2.2
109.01089	7.9
109.06505	17.1
115.04650	1.9
115.05443	30.0
117.07008	23.3
118.06558	1.6
119.03591	1.8
119.06035	6.7
119.08556	2.8
120.05711	2.2
120.09312	1.0
124.05217	1.6
135.04398	5.8
135.05470	2.4
135.06497	2.0
135.08046	40.9
135.09019	1.4
135.11649	5.9
136.02148	83.8
136.03888	3.1
136.05127	2.0
136.06178	23.3
136.07541	6.4
136.08440	1.6
136.11183	1.2
137.04564	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02360	1.5
53.03941	8.6
55.01856	1.6
55.05500	12.8
65.03924	4.6
67.05489	17.9
69.03406	1.3
69.07054	5.4
69.99695	1.1
70.12975	2.8
70.13372	2.0
79.05480	55.4
80.04990	2.2
80.05807	1.5
81.07033	13.7
91.05466	41.0
93.07027	75.8
94.07354	3.0
95.04953	10.9
98.20849	1.3
103.05443	1.2
105.04494	3.4
105.07016	14.3
107.04918	9.2
107.08579	64.5
108.04439	2.0
108.08908	2.6
108.37921	1.4
109.01088	8.0
109.06491	5.5
115.05461	2.4
117.07005	2.4
119.03526	2.9
119.06068	1.7
119.08569	7.7
120.09349	2.0
135.04411	9.5
135.05540	3.0
135.06570	2.0
135.08020	5.6
135.11665	33.6
136.02141	100.0
136.03900	4.2
136.05099	2.5
136.06171	26.8
136.07529	5.8
136.11136	1.4
136.12047	1.7
137.04588	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	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	5.8
55.01863	0.9
55.05502	6.8
57.07061	2.3
62.48827	0.6
65.03931	3.1
67.05494	2.2
68.05019	1.6
69.07063	2.7
71.02876	0.7
71.03214	1.1
77.03925	1.0
79.05480	19.7
81.03326	0.8
81.07050	2.6
89.03909	5.0
91.05468	56.2
92.05788	1.7
93.07031	48.4
94.07368	1.3
95.04949	7.7
96.06850	1.6
103.05426	0.8
105.04504	1.8
105.07016	23.3
106.04163	0.9
107.04931	3.2
107.08576	100.0
108.08905	4.0
109.01118	1.5
109.06512	8.7
109.07613	1.1
115.05453	2.8
117.06995	4.7
117.51781	0.8
119.06093	3.6
119.08565	20.2
120.09362	5.9
124.05214	1.3
133.10158	1.4
135.04388	4.3
135.06555	1.0
135.08044	5.6
135.11665	34.5
135.12700	1.7
136.02148	14.9
136.05153	1.0
136.06152	2.4
136.07581	1.5
136.08595	1.7
144.05707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	10.7
55.05509	16.7
62.68470	2.4
63.85659	2.3
65.03934	5.4
67.05502	13.8
69.07047	6.0
70.09811	11.9
72.06803	2.3
73.22452	2.4
79.05484	64.4
80.05791	2.7
81.07042	16.3
89.05845	2.3
91.05470	88.7
93.07030	84.7
95.04953	17.9
104.06234	3.5
105.04531	2.9
105.07017	32.1
107.04958	7.7
107.08576	96.7
108.08875	3.6
109.01095	9.6
109.06505	9.1
110.66733	2.3
115.05466	3.7
117.06992	10.1
118.06493	2.4
119.03525	3.2
119.06077	4.8
119.08566	56.3
120.09354	9.4
135.04390	9.4
135.08028	17.6
135.11668	64.4
136.02142	100.0
136.06163	23.4
136.07468	3.9
136.12016	3.0
137.09566	3.4
147.09068	3.3
153.62851	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	8.9
53.83245	0.9
55.05504	17.3
65.03940	2.0
65.61116	0.9
67.05161	1.5
67.05499	19.3
68.78332	1.0
69.07063	7.6
69.84881	5.9
77.03865	1.0
79.05486	60.5
80.05824	2.5
81.07045	22.9
82.07346	1.1
83.28825	1.0
91.05472	32.8
92.05788	1.1
93.07036	100.0
94.07355	3.0
94.07884	1.5
95.04967	11.4
95.08609	1.4
95.22966	0.9
98.21556	1.1
105.04499	3.8
105.07012	11.1
107.04926	3.9
107.08584	71.8
108.08936	2.3
109.01057	2.5
109.06493	2.9
117.07024	0.9
119.06066	1.8
119.08590	4.8
120.09329	2.2
135.04369	3.9
135.06523	1.1
135.08002	1.0
135.11681	42.2
136.02153	34.2
136.06171	11.2
136.07396	1.9
136.12044	2.2
136.62601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03941	8.0
55.05505	17.9
61.32988	1.1
64.13757	1.0
65.03918	3.0
67.05157	1.8
67.05496	20.6
69.07055	7.8
69.98695	3.5
69.99104	2.0
77.03867	1.2
79.05484	64.4
80.05801	1.2
81.03447	0.9
81.07048	23.4
81.37602	1.1
89.53207	0.9
91.05471	39.8
93.07034	100.0
94.07367	3.3
94.07863	1.1
95.04960	11.7
105.04542	1.9
105.07018	13.3
107.03701	1.2
107.04961	1.8
107.08581	88.0
108.08907	3.3
109.01077	2.1
109.06512	5.6
117.07005	1.4
119.06060	1.8
119.08570	8.4
120.09353	1.7
133.10109	1.3
135.04402	1.6
135.08113	1.2
135.11681	45.8
136.02147	18.4
136.06166	7.8
136.12021	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	6.3
55.01858	1.3
55.05503	9.0
57.07053	1.0
57.43946	0.7
65.03944	3.8
67.02956	0.8
67.05499	4.6
68.05025	2.5
69.07047	3.3
69.71069	5.1
70.77190	0.7
79.05486	25.6
80.04955	0.9
81.07049	4.6
89.03900	1.2
91.05470	47.6
92.05808	1.3
93.07034	49.2
94.07840	1.0
95.04945	10.0
95.05982	0.8
96.06870	2.3
103.05443	0.9
105.04499	2.4
105.07014	21.1
106.07851	1.0
107.04942	4.7
107.08581	100.0
108.04481	1.1
108.08216	0.7
108.08879	3.4
109.01100	2.9
109.06506	7.8
109.07609	1.5
115.05458	1.7
117.03413	1.1
117.07021	2.6
118.06595	0.9
119.03512	0.9
119.06052	3.5
119.08572	9.9
120.09352	3.1
133.10156	1.5
135.04405	5.5
135.05440	1.5
135.06557	1.1
135.08058	5.2
135.08945	0.8
135.11688	17.1
136.02150	34.7
136.03801	1.5
136.06171	10.8
136.07552	2.7
136.08636	2.2
136.12059	1.2
149.66278	0.6
151.47119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02379	1.1
53.03937	5.9
55.01862	1.5
55.05260	0.6
55.05508	9.6
57.07066	1.0
57.30701	0.6
65.03941	2.7
67.05506	3.4
68.05014	1.4
69.07052	4.2
69.62529	3.7
77.03922	0.9
79.05485	25.5
79.05952	1.3
80.05822	0.8
81.03391	0.6
81.07056	4.6
89.03886	0.6
91.05471	45.1
92.05794	1.4
92.06300	0.8
93.07037	46.0
94.07349	1.5
94.07868	0.9
94.49658	0.5
95.04964	8.8
95.06043	0.7
95.08598	0.9
96.06871	1.4
98.21375	0.8
104.06269	0.6
105.04505	2.2
105.07022	21.2
106.07301	0.9
107.04959	3.5
107.08582	100.0
108.08286	0.6
108.08912	4.1
109.01086	2.4
109.06506	8.9
115.05437	2.1
117.06995	2.1
119.06059	4.0
119.08574	7.9
120.09330	2.6
124.05223	1.0
133.10117	1.2
135.04439	2.7
135.05426	0.6
135.06558	1.0
135.08060	5.0
135.08981	0.7
135.10664	1.0
135.11684	18.1
136.02148	27.0
136.05130	1.0
136.06175	5.5
136.07553	1.8
136.08560	1.2
136.12047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	5.2
54.03454	0.5
55.01864	0.9
55.05503	11.4
56.28078	0.5
57.07082	0.8
65.03938	2.8
67.05491	3.7
68.05026	1.8
69.03440	0.5
69.07055	3.5
71.52996	0.6
76.08350	0.4
77.03915	0.6
79.05483	27.2
80.05003	0.5
81.07053	4.6
89.03904	1.0
91.05471	44.7
91.82496	0.5
92.05786	1.1
92.06281	0.7
92.27423	0.5
93.07032	54.2
94.07330	1.1
94.07835	1.4
95.04963	7.1
95.06070	1.2
95.08582	0.8
96.05235	0.6
96.06863	2.0
100.49415	0.5
103.05428	0.8
104.06294	0.5
105.04507	2.2
105.07021	21.3
106.07321	0.9
107.04953	4.6
107.08582	100.0
108.04522	0.7
108.08910	4.3
109.01089	1.9
109.06512	8.6
109.07616	1.1
115.05434	1.9
117.06997	2.3
119.06039	3.1
119.08571	8.5
120.09382	3.1
133.10071	0.8
135.04449	3.5
135.05351	1.0
135.06544	0.6
135.08078	6.0
135.09030	1.0
135.10678	1.0
135.11678	19.5
136.02148	30.3
136.03870	1.4
136.05118	1.0
136.06148	6.7
136.07619	2.6
136.08650	1.8
136.12050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.6
65.03942	0.3
67.02969	0.6
67.05472	0.2
70.77698	0.2
70.78031	0.4
91.05473	8.2
92.02486	1.0
92.05831	0.3
94.04043	5.4
101.00871	0.3
107.04930	0.4
108.08115	0.2
109.05096	0.9
112.05037	0.4
119.03535	16.6
119.04805	1.8
120.03875	0.4
131.01877	0.5
136.06169	100.0
137.04575	9.8
137.06583	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96551	0.6
65.03942	0.3
67.02969	0.6
67.05472	0.2
70.77698	0.2
70.78031	0.4
91.05473	8.2
92.02486	1.0
92.05831	0.3
94.04043	5.4
101.00871	0.3
107.04930	0.4
108.08115	0.2
109.05096	0.9
112.05037	0.4
119.03535	16.6
119.04805	1.8
120.03875	0.4
131.01877	0.5
136.06169	100.0
137.04575	9.8
137.06583	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	0.6
53.03934	2.1
55.01865	0.8
65.03938	2.4
66.04716	7.5
67.05482	3.1
67.44215	0.5
69.03391	0.5
71.27656	0.9
77.03922	1.0
79.05490	6.2
81.03410	0.9
81.07050	6.5
91.05471	8.0
93.07048	1.3
94.04177	55.3
95.04482	1.6
95.05015	2.7
95.08583	3.8
105.03392	1.0
105.04484	0.8
107.04953	2.3
109.02850	0.7
109.06512	3.0
109.10123	1.0
110.06035	1.7
121.43935	0.5
122.03633	74.2
123.03999	3.1
135.04454	1.8
137.02510	3.1
137.05960	100.0
137.09587	1.3
138.01749	1.3
138.05460	2.1
138.06381	4.3
138.09042	0.6
148.73883	0.5
149.53532	0.5
157.36765	0.5
158.39792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.4
51.70951	0.2
53.03948	1.2
55.01864	0.5
65.03928	2.1
65.97639	0.2
66.04356	0.4
66.04715	7.2
67.05127	0.2
67.05499	1.1
69.03423	0.3
70.61362	0.7
77.03928	0.9
79.05487	4.7
81.03410	0.2
81.07047	2.4
89.55539	0.2
91.05473	4.2
93.03397	0.4
93.07040	0.2
94.04179	55.9
95.04433	1.4
95.05043	1.3
95.08584	0.5
105.03406	0.9
105.04475	0.3
106.04942	0.2
106.90939	0.2
107.04932	1.5
109.06513	1.2
110.17192	0.2
111.04416	0.4
117.90585	0.2
122.03637	72.0
123.03979	2.5
135.04398	0.9
137.05965	100.0
138.05478	0.4
138.06317	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02360	0.5
51.29671	0.5
53.03939	1.0
55.01870	0.6
55.44463	0.4
56.45380	0.4
65.03919	2.0
66.04716	7.6
67.05493	1.6
69.04546	0.6
70.58178	0.6
70.58524	1.8
77.03935	0.7
79.05486	5.1
81.03354	0.5
81.04532	0.9
81.07047	3.1
91.05474	4.9
91.31026	0.4
93.26729	0.5
94.04176	48.5
95.04478	1.2
95.04966	1.8
95.08575	0.8
97.06386	1.3
105.03408	0.5
105.04572	0.6
107.04960	2.3
109.06497	1.6
110.07127	1.5
115.92171	0.4
118.72605	0.5
119.04898	0.6
122.03633	66.4
123.03957	2.2
129.12737	0.5
137.05962	100.0
138.06302	3.9
150.39900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	8.9
54.03452	6.4
55.01857	4.8
55.05508	10.4
56.03758	2.6
56.05020	2.8
57.07080	2.9
61.38704	1.6
65.03934	7.4
66.04703	5.8
67.05498	63.2
68.05030	3.4
69.03414	4.5
69.04530	4.4
69.07058	5.7
71.07697	3.6
72.04513	2.1
77.03924	1.8
79.05119	1.9
79.05494	19.7
80.05012	1.8
81.03403	5.4
81.04543	12.4
81.05757	2.0
81.06576	3.0
81.07048	50.9
82.06566	6.0
83.06091	5.0
91.05470	35.7
92.05019	2.2
92.05769	1.7
93.07025	17.3
94.02914	2.5
94.04177	41.7
94.06551	4.2
95.04964	30.3
95.06052	1.8
95.07967	2.7
95.08591	52.7
96.04515	3.9
96.05614	4.9
96.08924	2.2
97.03996	1.7
97.06392	23.3
97.07676	1.9
98.04797	3.6
98.21355	1.8
105.04495	1.7
107.04910	9.4
107.08585	4.6
109.06507	28.5
109.07643	2.4
109.10139	32.2
110.06030	4.8
110.07154	18.1
110.07880	2.8
111.05549	5.7
119.04922	5.5
119.08568	9.2
120.04445	4.7
120.05564	3.1
121.06460	3.2
121.07627	2.0
122.03635	52.0
122.07274	37.5
122.08144	1.8
137.02490	14.6
137.03484	2.9
137.05960	100.0
137.08096	9.8
137.09619	44.2
137.10631	2.5
137.13232	4.1
138.01750	3.6
138.05464	15.4
138.06520	10.3
138.09108	3.1
138.10129	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02362	0.6
53.03939	1.4
53.31666	0.3
54.21838	0.3
55.01862	1.0
63.35237	0.3
63.57383	0.3
65.03914	1.7
66.04715	7.5
67.05113	0.3
67.05497	1.5
69.45403	2.1
69.45824	0.7
77.03926	0.8
79.05486	4.5
81.07059	3.1
86.33878	0.3
91.04943	0.6
91.05471	4.9
94.04176	54.3
95.04425	1.6
95.05033	1.6
95.08597	0.8
98.20747	0.7
105.03390	0.7
107.04940	2.9
109.06512	1.4
109.10146	1.0
113.46259	0.3
119.08562	0.8
122.03635	71.0
122.07249	3.5
123.03970	2.2
128.96941	0.4
135.04369	0.5
137.05963	100.0
137.09549	2.9
138.06297	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	1.4
55.05506	1.1
65.03944	1.5
66.04708	5.8
67.05495	6.4
68.05016	0.5
69.03411	1.0
70.86395	1.2
72.04494	0.4
77.03931	1.3
79.05482	6.0
81.03407	0.9
81.07047	8.5
82.76337	0.4
91.05470	7.6
92.05849	0.6
93.07037	1.9
94.04176	48.5
95.04435	0.9
95.05012	2.9
95.08591	8.8
95.09158	0.6
96.04463	2.1
96.05622	0.5
97.06378	2.0
105.04507	0.5
107.04926	4.2
109.06509	1.8
109.10155	3.9
110.06010	0.7
110.07203	0.9
119.04924	0.5
119.08586	2.5
120.24696	0.4
121.02805	0.5
121.06535	0.7
122.03634	65.3
122.07262	10.1
123.03950	2.9
135.04390	0.7
137.02527	2.1
137.05960	100.0
137.09589	10.5
137.13182	0.9
138.05450	1.4
138.06345	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02363	1.7
53.03941	7.1
53.33743	1.0
54.03460	1.2
55.01855	3.9
55.05507	5.9
56.05026	1.6
57.07069	5.6
61.45906	0.9
65.03923	4.7
66.04716	7.2
67.05497	34.3
68.04993	3.0
68.99755	1.5
69.03419	2.4
69.04530	2.9
69.07053	4.5
70.02946	1.1
71.52898	2.0
72.04492	2.9
77.03925	1.9
79.05486	20.1
80.05801	1.2
81.03407	3.4
81.04528	5.5
81.07049	49.3
82.06553	1.6
82.07362	2.1
83.06098	1.8
91.05470	39.0
92.05005	1.6
92.05779	1.8
93.07037	20.9
94.04175	53.1
94.07352	1.3
95.04465	1.4
95.04971	13.2
95.06049	2.6
95.08598	48.5
96.04504	1.0
96.05609	2.8
96.08922	1.7
97.06392	12.2
97.07631	2.1
98.04767	3.0
105.04463	1.0
107.04942	12.2
107.08588	1.3
109.06515	10.8
109.10144	23.1
110.06014	3.3
110.07172	12.1
111.05527	2.4
119.04925	7.9
119.06078	1.1
119.08572	7.5
120.04492	1.5
120.05523	1.6
121.02820	1.2
121.06485	4.5
121.07477	0.9
122.03633	68.2
122.07268	41.5
123.03960	2.1
135.08057	2.2
137.02394	9.7
137.05959	100.0
137.08057	5.5
137.09608	43.4
137.10648	1.9
137.13219	3.5
138.01778	2.4
138.05421	8.7
138.06345	8.1
138.09064	2.4
138.10077	3.6
159.24953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03939	5.8
54.03450	3.2
55.01859	1.9
55.05501	4.9
55.96064	0.8
56.05031	1.1
64.06142	0.9
65.03625	0.8
65.03928	4.0
66.04702	4.1
67.05498	46.9
68.05009	3.1
68.05827	1.6
69.03409	3.2
69.04547	3.1
69.07053	2.7
69.76704	4.5
69.77110	1.8
72.04515	1.2
77.03889	1.3
79.02962	1.0
79.05081	1.2
79.05488	9.7
80.05000	1.0
81.03392	3.0
81.04534	10.7
81.06573	1.3
81.07050	22.2
82.06577	2.6
83.06110	2.4
88.73805	0.7
91.05472	25.9
92.04948	0.9
92.05836	1.3
93.04533	1.0
93.07043	9.3
94.04179	27.7
94.06558	1.5
94.07819	1.5
95.04967	9.8
95.06081	2.1
95.08604	14.4
96.04523	1.3
96.05641	4.3
97.04015	1.1
97.06391	12.3
97.07673	2.1
98.04810	1.7
103.05479	2.1
104.06210	1.2
105.04495	0.8
107.04941	27.1
107.08575	4.3
109.06519	7.8
109.07610	1.1
109.10146	41.6
110.06001	1.8
110.07171	11.5
110.10465	1.3
111.05528	4.2
117.07000	2.5
119.04942	2.1
119.08570	18.3
119.09311	0.7
120.04398	1.0
120.05581	2.6
121.03955	1.1
121.06489	8.1
121.07590	1.8
122.03639	36.3
122.07274	100.0
123.03966	1.4
123.07611	2.5
135.08046	3.7
137.02441	5.3
137.03421	0.9
137.05161	1.1
137.05971	49.7
137.08232	7.2
137.09601	91.5
138.01750	1.7
138.05482	3.3
138.06538	4.5
138.10069	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.00381	0.5
51.02371	0.9
52.03161	0.8
53.03933	3.1
55.01860	1.4
55.05289	0.8
55.05508	8.9
57.07069	5.5
65.03926	4.6
66.04716	7.2
67.05497	53.3
68.05824	1.1
69.03403	2.9
69.04522	0.7
69.07060	5.0
69.40880	6.6
79.05480	11.6
81.03390	1.3
81.04527	1.6
81.07048	28.0
82.06565	0.7
82.07387	0.8
83.04961	1.1
91.05474	13.0
93.07040	6.9
94.04177	55.6
94.07855	0.8
95.04499	0.8
95.04974	9.2
95.08597	35.9
96.04482	1.9
96.05618	1.4
97.06372	4.0
100.93870	0.6
105.04510	1.0
106.97634	0.8
107.04948	4.0
107.08595	3.9
107.57334	0.6
109.05969	0.6
109.06518	6.8
109.10141	27.0
110.07203	3.2
110.07870	0.8
110.10427	0.8
117.07044	1.0
119.08560	4.3
120.04426	0.9
122.03634	68.4
122.07267	7.8
123.03970	2.8
129.95956	0.7
135.07991	0.9
137.02406	3.1
137.05963	100.0
137.09599	21.5
137.13232	5.0
138.01714	1.0
138.05444	1.9
138.06366	4.6
138.10037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
53.03938	5.0
55.01862	8.2
55.05504	49.8
56.05839	0.8
56.96560	5.6
60.97260	0.6
65.03932	30.6
66.04264	1.2
67.05496	32.0
68.05845	0.9
68.99780	1.8
69.03425	4.0
70.75393	1.1
70.75777	1.5
83.04971	100.0
84.05290	2.0
86.71338	0.6
93.03394	12.2
93.04602	0.7
95.04958	18.7
96.05277	0.8
98.20825	0.8
98.97569	8.8
98.98243	1.0
98.98380	0.8
102.86783	0.7
105.04491	1.1
111.04428	47.2
112.04761	1.4
116.98600	6.2
121.02847	7.6
134.99638	2.7
139.03877	25.0
140.04280	0.9
152.66417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.12641	0.4
53.00264	0.5
53.03940	3.2
55.01867	8.4
55.05256	0.6
55.05503	6.1
56.05011	1.6
56.96549	1.6
59.04963	0.8
65.03931	20.2
66.04270	0.8
67.01855	6.9
67.05493	8.9
68.99781	15.2
69.03436	2.5
70.06558	0.5
71.01337	3.4
71.04844	1.2
78.01881	0.5
79.01830	0.6
83.04978	12.9
83.05489	0.4
83.06057	1.4
84.05282	0.7
93.03392	14.2
94.03721	0.7
95.04961	3.9
95.06039	0.9
96.05622	0.8
97.02884	3.5
97.06455	0.7
98.07160	1.8
98.97570	2.8
98.98444	0.8
99.00790	0.6
99.05513	0.6
111.04427	33.7
112.04762	1.3
115.79067	0.4
116.98608	2.2
121.02877	2.8
121.04011	0.8
122.07166	0.8
123.05548	1.2
130.19669	0.5
134.99635	1.2
139.03882	100.0
139.09723	1.7
140.04233	3.9
140.08154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
50.30314	0.6
53.00065	0.9
53.00303	12.5
53.03928	1.8
54.03463	0.6
55.01871	4.1
55.05508	6.8
56.05016	1.7
56.96548	2.4
57.93524	0.7
65.03598	1.1
65.03934	20.5
66.04275	0.8
67.01828	1.3
67.05501	5.4
68.99789	4.1
69.03409	1.9
70.06564	1.1
70.72482	1.9
83.04974	12.6
83.06087	1.1
89.38042	0.5
93.03390	6.8
95.04980	3.0
95.06059	1.1
97.02863	1.6
98.07159	1.7
98.97564	7.2
98.98460	0.9
99.05559	1.1
111.04429	23.4
112.04078	0.6
113.79778	0.6
116.97211	1.0
116.98615	5.7
121.02852	12.8
122.03197	0.7
122.07092	1.3
134.99664	3.1
139.03885	100.0
139.09764	0.9
140.04234	3.2
140.08180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47315	0.5
50.53135	0.5
56.05024	1.3
56.96558	35.2
62.17523	0.5
65.70993	0.5
71.25992	1.2
71.95247	6.6
83.06084	0.9
83.67531	0.5
84.05289	1.1
94.06586	0.6
94.28509	0.6
95.06064	0.8
96.05644	0.6
98.97572	100.0
99.05549	1.0
99.97927	1.0
110.29392	0.5
116.98608	79.7
117.98978	1.0
134.99641	44.3
135.99971	0.9
140.00182	2.4
140.03392	0.8
140.07094	0.7
140.08177	1.7
141.01755	0.7
141.06601	1.1
153.00676	6.5
158.01270	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.8
57.03404	2.1
58.06584	1.5
64.17741	1.7
69.03416	8.6
70.99843	2.7
71.09432	3.8
71.09770	2.9
79.05452	2.5
82.06596	1.7
84.08154	1.9
96.04501	1.8
96.08127	4.1
97.02876	5.9
98.97566	4.5
100.02474	2.8
101.00865	22.8
116.11468	1.7
116.98653	2.3
119.01904	100.0
119.35014	1.5
120.01995	2.3
124.07516	2.1
125.02314	8.1
135.31831	1.6
137.02940	28.0
142.03491	7.6
142.04967	1.9
142.08601	2.4
143.03375	60.0
158.01193	1.8
160.04529	5.7
161.02910	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76555	2.5
59.96337	2.4
67.90536	3.2
70.98604	2.9
70.98921	4.7
74.34045	2.2
86.35983	2.4
88.51685	3.7
94.00948	2.9
101.00863	16.4
118.03505	4.9
119.01913	100.0
120.01970	3.7
122.93047	2.5
125.00148	2.5
128.49515	2.5
136.04587	6.6
137.02962	46.6
137.49959	4.4
142.03496	18.5
159.05013	2.7
160.04585	6.6
160.39021	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	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03869	0.3
55.01857	0.8
57.03417	0.9
58.99853	3.8
60.04505	1.4
69.03429	1.5
69.03736	0.3
69.25239	3.1
70.13394	0.3
70.99849	3.7
77.00491	0.4
77.00898	4.7
79.41832	0.3
82.99826	0.9
84.64207	0.3
85.02894	5.1
88.02644	0.3
89.00879	2.5
95.01921	1.4
97.02869	1.9
98.06045	0.4
98.20744	0.6
100.02451	0.7
101.00867	24.4
102.00945	1.8
102.02354	0.4
103.02467	0.4
103.03135	0.3
107.01903	0.5
115.02415	0.5
118.03510	0.4
119.01904	100.0
120.01978	7.6
121.01658	0.4
121.03424	0.4
124.02399	0.4
125.02380	1.2
126.05534	0.6
131.01917	0.4
133.03427	0.7
137.02937	22.6
138.03053	1.8
142.03511	3.6
143.01900	2.7
143.03391	10.9
144.06528	1.9
160.04538	0.4
161.02933	6.1
162.02994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63290	0.3
55.01869	0.4
56.96556	0.8
57.03421	0.4
58.99861	2.8
60.04520	0.5
61.02906	0.3
61.89014	0.3
68.05047	0.3
69.03428	0.8
70.06594	0.6
70.32796	0.5
70.99850	4.4
71.04966	0.2
71.99915	0.6
77.00896	3.6
78.00977	0.3
79.51944	0.3
81.03412	0.3
81.04526	1.0
82.99799	1.7
84.04504	0.4
84.08141	1.5
85.02905	2.2
86.99300	0.4
89.00881	2.2
95.01936	1.1
95.06074	0.3
97.02879	0.8
97.07648	1.0
98.01334	0.3
98.06103	0.3
98.09690	5.0
98.21407	0.3
98.97545	0.4
99.18201	0.3
100.02472	0.6
101.00871	28.2
102.00933	2.2
103.02424	0.6
105.00355	0.4
107.01938	0.3
110.01352	0.5
111.02895	0.3
115.02425	0.5
118.03542	0.6
119.01907	100.0
120.01992	6.8
121.01624	0.7
121.02389	0.4
121.03494	0.4
124.02428	0.8
125.02373	1.4
125.07150	0.4
131.01895	0.5
133.03435	0.7
137.02943	19.4
138.03069	1.4
141.46368	0.3
142.03490	2.6
143.01897	2.4
143.03403	9.7
144.06537	0.6
144.10190	2.1
155.58980	0.3
161.02954	5.5
162.03120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05513	8.9
56.05033	0.9
57.01913	0.8
57.07071	6.7
59.04983	2.0
59.67355	0.8
60.04514	1.1
65.03917	1.1
67.05498	4.8
69.03421	13.7
69.07057	1.5
70.06578	1.8
71.04987	40.2
71.46446	1.1
72.05322	1.1
73.06545	4.2
79.05475	1.8
81.07048	1.1
83.04967	4.4
83.08598	3.1
85.02885	3.0
85.06531	14.8
85.47094	0.7
97.00774	0.7
97.02890	8.8
97.10152	4.9
98.06039	2.7
98.09663	1.6
101.95033	1.5
107.07918	0.6
107.08578	12.0
111.07880	0.7
113.02415	1.1
115.05420	0.9
119.01922	2.5
119.96040	1.0
125.02344	8.8
125.09614	6.0
128.06216	7.5
136.77454	0.7
137.97031	0.9
139.01788	2.2
143.03381	100.0
143.08537	2.8
143.10664	1.4
144.03767	4.1
144.06570	1.9
144.08047	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	143.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05501	5.4
56.05019	0.8
57.03424	1.0
57.07060	4.8
59.04983	1.2
60.04501	0.7
65.03922	0.7
66.88473	0.5
67.05497	3.2
68.99776	0.5
69.03417	13.9
69.07043	1.1
69.85511	0.5
70.06571	1.8
71.01363	0.5
71.04982	26.3
71.57502	0.7
73.06554	2.7
75.79983	0.5
79.05477	1.4
81.07041	1.4
83.01328	1.2
83.04959	2.8
83.08601	2.2
84.04501	0.8
85.02905	3.9
85.06533	10.0
91.05447	0.7
97.02879	10.5
97.06523	0.5
97.10152	2.9
98.06048	2.4
98.09679	1.8
101.95002	1.7
102.05532	0.6
105.07021	0.8
107.08572	6.9
108.08902	0.6
115.05419	0.6
119.96043	1.0
121.00784	0.6
125.02344	9.5
125.09601	4.2
126.05491	1.0
128.01019	0.8
128.06195	8.7
137.97118	1.0
139.01797	3.0
143.03375	100.0
143.08501	2.1
143.10649	0.7
144.03674	3.9
144.04591	0.5
144.06557	1.5
144.08049	1.4
145.06445	0.6
155.06070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0806
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.67294	0.3
51.59287	0.2
71.26524	0.6
91.05464	2.7
92.32750	0.3
95.04951	0.5
103.05458	2.9
115.05440	8.0
116.04977	0.4
116.06297	0.3
117.05795	2.4
117.07002	22.0
118.06594	0.5
118.07302	0.6
124.51060	0.3
127.05409	1.1
128.04977	1.6
128.06184	0.7
134.05962	0.4
142.06502	0.8
143.07286	17.7
144.08064	100.0
145.06483	4.1
145.08403	4.1
146.05963	0.7
155.06020	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	144.1019
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
53.03941	0.6
55.01860	1.0
55.05499	1.1
56.96559	8.3
57.03426	2.5
60.04516	0.3
60.95828	0.5
61.02923	2.0
65.15482	0.3
67.05463	0.4
69.03410	1.6
70.06583	7.8
70.23628	1.6
70.98110	1.0
71.01344	0.4
71.04981	3.7
73.02909	0.5
74.06085	0.5
74.29510	0.3
77.00780	0.6
81.03403	1.7
84.08128	1.9
84.96033	0.9
85.02898	3.3
86.06038	0.4
88.99139	0.4
97.02852	0.9
98.06051	2.1
98.09680	100.0
98.97567	3.4
99.04437	6.5
99.09992	2.5
102.96874	0.5
107.01843	0.4
116.98610	1.2
119.01897	0.4
120.01972	1.9
120.97905	0.7
121.01657	2.1
124.95456	0.8
127.03891	1.6
134.99646	0.7
138.02997	0.5
139.02696	0.7
142.96535	0.6
144.03767	0.7
144.04832	0.4
144.06601	0.6
144.10181	19.8
144.43768	0.4
145.04927	0.5
145.07018	0.4
145.10475	0.6
160.97551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41745	0.2
53.03942	1.8
55.01869	1.2
57.03431	1.2
58.06612	0.2
59.06101	0.3
61.35057	0.3
62.92981	0.3
63.02366	4.8
69.03418	1.0
70.08547	0.2
70.80594	0.5
70.80993	0.5
70.92206	0.2
71.01330	0.5
71.04590	0.3
71.04987	6.2
71.72672	0.2
74.06028	0.3
79.05489	0.4
81.03397	2.1
82.06570	5.1
85.02895	2.0
85.04024	0.5
85.47077	0.2
89.03906	100.0
90.04240	2.9
91.05473	0.7
97.02882	0.3
97.99854	0.2
99.04443	15.4
100.04751	0.3
100.07605	10.3
105.07041	1.6
115.05464	0.6
117.03364	44.1
117.07024	1.0
118.03701	1.5
121.02947	0.2
121.96626	1.0
127.03916	1.9
128.07080	0.4
129.04477	0.4
130.06534	0.3
130.07771	0.7
135.04393	1.0
145.02823	1.3
145.03906	0.6
145.04965	1.6
145.06448	1.0
145.10104	1.7
146.06017	0.8
146.08101	2.3
155.39018	0.3
158.05989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59949	0.6
53.03940	2.8
55.01865	1.3
55.05504	0.7
57.03423	1.4
62.92979	3.7
67.05492	2.0
69.03411	1.4
69.84798	1.2
69.85216	3.4
71.04988	5.0
72.08147	1.1
79.05486	3.6
81.03406	1.3
82.06567	23.4
85.02879	1.3
90.07691	0.6
91.05468	14.5
92.28522	0.6
99.04449	11.9
100.07603	48.4
103.05416	3.5
105.07014	82.7
106.07341	2.3
115.05441	7.5
116.06238	2.8
117.07002	28.7
118.06545	0.8
118.07349	1.4
121.96615	4.7
127.03896	2.2
128.06197	5.2
128.07082	1.9
129.07002	10.9
130.07765	45.6
131.08115	2.3
143.08542	9.4
144.08940	1.0
145.10101	100.0
146.08092	11.2
146.10428	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	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.14377	0.7
55.01855	0.8
66.46902	0.7
67.05477	1.4
71.04977	3.3
79.05473	3.2
82.06565	1.8
85.02894	1.1
91.05468	14.7
99.04433	5.7
100.07610	4.3
103.05448	3.3
105.07015	82.6
106.07362	2.9
115.05435	6.8
116.06215	2.5
117.07002	26.5
118.07392	1.1
121.85323	0.7
121.96618	1.9
127.03909	1.3
128.06203	5.8
129.07004	11.3
130.07771	49.1
131.08092	1.8
131.47890	0.7
143.08549	9.8
144.08784	0.8
145.10101	100.0
146.10457	4.7
159.28459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.09085	0.4
60.77478	0.4
65.03930	11.0
67.27029	0.4
69.83968	2.4
80.52312	0.4
86.62848	0.5
91.05467	100.0
92.05794	2.8
105.07039	1.6
117.07056	0.6
119.04924	91.6
119.08543	1.9
120.04515	0.6
120.05228	3.0
126.45393	0.5
135.23584	0.4
147.04385	30.9
147.11653	1.4
148.04709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
52.66808	0.2
56.05031	5.2
56.96542	0.6
57.04342	0.3
61.03885	0.2
61.84445	0.2
69.10049	0.2
71.19548	0.6
74.02419	0.2
83.06890	0.4
84.04492	100.0
84.08132	0.7
85.02892	2.1
85.04816	1.2
91.05463	1.0
92.31991	0.2
100.02596	0.3
101.01678	0.6
101.07121	0.9
101.07873	0.3
102.05527	8.9
115.16940	0.2
118.83019	0.2
119.04936	0.8
129.41200	0.2
130.04984	15.8
131.05389	0.3
135.82288	0.2
148.06026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78300	0.6
53.03932	1.6
53.33048	0.6
55.05225	0.8
55.05502	13.9
64.92795	1.5
65.03933	1.2
67.05490	1.8
69.07053	2.5
69.21266	3.6
69.21698	4.2
76.79607	0.7
79.05487	8.2
81.07060	2.1
91.05469	28.9
92.05815	1.2
93.07055	1.9
95.04943	2.3
98.01964	0.7
101.07916	1.7
103.05435	3.2
105.07014	100.0
106.07327	5.2
107.08588	2.8
117.06984	7.8
119.04925	5.9
119.08564	67.4
120.08917	4.6
123.96423	2.4
129.07030	0.9
130.07776	1.3
131.08575	1.3
132.09332	3.1
143.50023	0.6
145.10081	6.0
147.04402	3.3
147.05502	1.1
147.08023	1.2
147.11667	48.5
148.03830	1.4
148.07458	0.8
148.12010	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	147.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05261	0.8
55.05507	12.3
64.92797	1.3
65.03919	1.5
67.05493	1.9
69.07061	2.6
69.32037	4.8
79.05483	5.8
81.07045	2.3
83.06918	0.9
84.04518	0.5
87.85789	0.5
91.04893	1.4
91.05466	26.3
92.05799	1.0
93.07012	2.3
95.04961	1.2
98.21479	1.2
101.07950	1.1
103.05452	3.6
104.06226	0.6
105.07016	100.0
106.07341	4.7
107.08597	3.1
115.05413	0.8
116.06258	1.0
117.06999	7.4
119.04922	5.9
119.08564	66.8
120.04399	0.5
120.05273	0.7
120.08894	3.8
123.96426	2.8
129.06955	0.6
131.08511	1.4
132.09296	2.8
145.10085	6.2
146.10388	0.7
146.98021	0.7
147.04440	3.3
147.05415	0.9
147.11665	71.1
148.03812	0.6
148.11990	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	147.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05505	10.7
61.75274	0.6
63.05030	0.6
64.92802	2.6
65.03928	2.0
67.05495	7.0
68.05817	0.6
69.07062	2.3
71.11498	1.4
76.44662	0.7
79.05479	10.2
81.01719	0.7
81.07043	4.4
82.06586	0.9
83.06903	2.9
84.04482	0.8
91.05470	40.4
92.05798	1.6
93.07021	4.0
95.04951	2.0
100.07611	1.3
101.07947	5.6
103.05444	4.1
104.06262	0.9
105.07018	100.0
106.07349	5.9
107.07922	0.6
107.08596	3.1
108.95725	0.6
116.06181	0.8
117.07014	7.9
119.04939	7.9
119.08565	67.1
120.08916	3.1
123.96445	3.2
129.06976	1.0
131.08548	1.3
132.09329	3.8
145.10115	5.5
147.04384	4.9
147.05424	0.9
147.08168	2.3
147.11674	41.6
148.07584	1.0
148.12035	2.1
149.30603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03949	2.0
55.05504	13.9
65.03918	1.1
65.69033	0.7
67.05483	2.7
69.07054	3.3
69.31258	3.2
69.31689	5.4
76.25005	0.7
79.05470	7.4
79.42297	0.8
81.07037	2.0
91.05470	32.8
92.05793	2.0
93.07030	3.5
94.38708	0.9
95.04922	1.4
101.07910	1.2
103.05450	5.1
104.06239	1.3
105.07017	100.0
106.07333	5.1
107.08562	4.6
115.05409	1.0
117.07000	16.1
119.04949	4.5
119.08565	98.0
120.08904	4.5
123.96479	1.3
130.07758	1.8
131.08545	2.2
132.09322	6.6
136.82513	0.9
145.10089	5.9
147.04404	2.1
147.11670	53.2
148.12006	3.2
149.09554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03922	3.0
55.05265	0.8
55.05503	12.3
61.33343	0.8
64.92785	3.7
65.03923	3.8
67.05489	6.4
69.07045	2.6
70.79019	1.9
70.79422	1.8
70.95927	0.9
76.73090	0.8
79.05060	1.1
79.05483	13.6
81.07032	5.2
83.06891	2.6
84.04505	1.7
91.05469	59.6
92.05801	2.5
92.17184	0.8
93.07024	4.9
95.04928	2.8
98.20894	1.1
100.07599	1.1
101.07927	5.9
103.05440	5.2
105.07015	100.0
106.07308	4.9
107.08575	3.2
117.06987	8.7
119.04924	9.9
119.08563	70.5
120.08909	3.9
123.96460	4.6
129.06920	1.1
131.08549	1.6
132.09354	2.0
145.10095	5.6
147.04431	6.8
147.05505	1.5
147.08049	2.9
147.11670	45.3
148.07547	1.5
148.11983	2.1
165.84822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0603
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
50.33941	0.3
54.96329	0.4
56.05026	5.8
56.73914	0.4
62.40155	0.4
69.79165	2.6
69.79872	0.3
76.51177	0.4
84.04494	100.0
85.02894	2.0
85.04826	5.4
85.06525	0.5
86.80611	0.4
98.21510	0.4
102.05531	15.5
121.02868	0.6
129.97931	0.4
130.04988	7.8
131.05331	1.1
142.15230	0.4
148.05986	0.9
149.02380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02388	0.9
53.03930	2.4
60.39820	0.8
65.03935	12.9
70.97404	2.4
79.05483	32.2
80.05798	1.0
87.76569	0.8
91.05471	3.8
93.03388	2.7
93.07037	1.7
95.04958	3.6
96.37641	0.8
103.05456	95.6
104.05779	4.1
105.04492	1.5
105.07023	1.7
106.72477	0.9
107.04945	33.7
108.04550	0.8
108.05281	0.9
110.08379	0.8
111.04431	2.7
121.02853	14.7
121.03946	3.1
121.06439	1.9
122.06038	0.8
122.07137	1.0
131.04913	100.0
132.05220	4.1
149.02327	24.1
149.05972	2.2
149.09599	1.9
150.05452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03930	4.0
55.01856	1.4
55.05500	1.6
63.70742	1.0
65.03936	10.2
67.36283	0.9
69.03424	1.4
70.89041	2.2
77.03937	1.1
79.05487	20.3
81.07039	2.4
86.30743	0.9
91.05471	22.7
93.03395	3.0
93.07032	37.3
95.04947	4.3
103.05452	6.4
105.04473	1.5
105.07018	27.8
106.07858	4.7
111.04386	2.1
115.05439	1.4
116.06223	4.7
119.08575	4.5
121.02868	8.7
121.03990	2.4
121.05676	1.2
121.06496	4.1
121.10124	22.9
123.08059	2.9
131.08583	1.3
131.82736	1.0
133.07552	1.9
137.94551	1.0
149.02319	16.6
149.09604	100.0
150.09950	3.6
164.68509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03933	4.2
55.01615	1.4
55.01866	21.3
55.05500	2.0
58.02299	1.1
63.13253	1.1
65.03938	51.0
65.63018	1.0
66.04269	1.7
67.05506	2.2
67.75636	0.9
68.99776	1.2
69.03415	3.8
69.58318	6.2
69.58726	2.1
71.25169	1.1
79.05050	2.2
79.05486	32.0
81.07028	2.6
90.42419	1.3
91.05473	30.8
92.05779	1.1
93.03392	13.9
93.07037	46.8
94.07366	1.5
95.04960	5.6
98.03658	2.8
103.05463	4.7
105.04497	2.4
105.06371	1.8
105.07024	25.1
107.04940	3.5
107.08590	18.5
108.04462	1.5
108.05655	1.7
109.06489	2.9
110.08396	1.7
111.04444	11.0
115.05446	1.6
116.06232	4.2
119.08550	2.3
121.02853	58.1
121.03956	12.9
121.06504	24.1
121.10133	16.5
122.03188	2.6
122.07053	2.5
123.08016	1.7
129.06969	2.0
131.04976	1.8
131.08557	8.3
148.84065	1.2
149.02330	100.0
149.08394	2.2
149.09610	61.1
149.13258	1.4
150.02661	5.2
150.10052	4.6
167.03456	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	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03943	5.2
55.01855	2.8
55.05494	2.6
64.80885	0.9
65.03931	50.3
66.04286	1.1
67.05489	2.0
69.03429	0.9
70.71136	2.4
70.71497	1.9
77.03925	1.3
79.05482	23.0
81.07030	4.3
91.05469	29.1
92.24223	1.0
93.03395	10.3
93.07031	43.0
95.04934	8.8
96.57890	1.2
98.03664	2.1
103.05440	7.1
105.03337	1.1
105.04498	1.2
105.07014	27.8
106.07799	4.5
107.04922	2.4
107.08588	7.1
107.15546	1.0
108.05724	1.2
109.06507	3.5
111.04437	9.5
115.05482	1.4
116.06232	3.8
117.07011	0.9
119.08593	5.3
121.02851	45.8
121.03963	11.4
121.06483	9.9
121.10127	24.9
121.11004	1.3
122.03198	2.1
122.07112	1.8
122.10474	1.2
123.08037	2.0
124.95850	0.9
131.04884	1.7
131.08513	2.3
133.06552	1.3
133.07587	2.0
134.07288	1.6
135.08029	10.0
149.02327	87.6
149.06015	6.3
149.09596	100.0
150.02626	4.5
150.10066	3.5
160.34264	0.9
161.43941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01855	1.6
55.05487	2.0
56.05056	0.5
65.03932	35.6
66.04251	1.2
67.02976	2.6
67.05478	1.3
68.05019	1.2
68.99757	0.8
69.07051	2.9
69.18384	1.2
69.18807	5.0
79.05475	5.8
80.05002	0.5
81.04529	1.1
81.06631	0.7
81.07050	7.4
82.06548	0.7
91.05469	5.8
93.03400	9.2
93.07030	19.2
94.07392	0.6
95.04967	1.4
95.06050	0.9
95.08581	1.7
98.03643	2.8
100.17265	0.5
103.05442	1.0
105.03370	0.5
105.04504	0.7
105.07005	2.4
107.06052	1.3
107.08577	12.6
108.04451	0.6
108.05600	1.5
108.06853	4.1
109.06485	1.2
109.07618	2.2
110.08381	2.5
111.04427	7.9
121.02848	50.2
121.03947	10.7
121.06450	1.4
121.10129	5.5
122.03199	2.9
122.04205	0.5
122.06025	0.7
122.07118	2.3
126.05457	0.7
131.04909	1.1
149.02322	100.0
149.05963	1.9
149.08209	4.7
149.09557	2.1
149.10638	0.6
149.13235	5.4
150.02664	6.5
150.03725	0.9
150.05499	1.3
150.09166	0.8
150.10214	2.7
167.03409	1.7
169.03487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03938	1.6
55.05505	4.4
57.07073	1.9
57.27872	1.0
58.63711	1.0
65.03938	17.5
67.05495	1.5
69.07052	3.4
69.60392	7.8
70.45354	1.1
79.05485	15.4
81.07051	1.7
91.02820	1.1
91.05468	20.4
93.03399	4.1
93.07040	15.9
95.04992	2.3
95.08609	1.3
98.03676	1.5
103.05455	2.9
105.07021	44.8
107.08582	34.2
108.08870	1.1
109.06493	3.7
111.04451	3.8
119.06058	1.8
119.08572	11.4
120.09348	1.3
121.02861	19.3
121.03969	3.9
121.06541	2.5
121.10133	100.0
122.10491	5.0
123.08037	7.3
131.04948	1.1
133.07620	4.5
133.10115	3.0
134.10907	2.6
147.43704	1.1
149.02328	34.3
149.05963	1.6
149.09599	6.1
149.13234	10.4
150.02681	2.6
151.11134	1.1
169.03493	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	151.075
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02358	0.8
53.03938	3.2
55.01863	3.1
55.05502	6.7
56.96550	4.3
57.03410	2.5
57.10418	0.7
57.85651	0.6
61.02899	0.8
61.65992	0.6
62.00111	0.6
65.03921	3.5
66.03447	0.6
67.05492	34.0
68.05011	3.0
68.99778	0.7
69.03413	7.6
69.04530	0.6
69.07046	2.3
70.06565	0.6
71.54160	0.9
73.02881	1.3
77.03909	1.2
79.05051	0.8
79.05479	11.0
80.06255	0.7
81.03408	3.1
81.07043	24.1
82.11149	0.6
83.04975	3.4
83.06075	1.7
85.02900	1.4
91.05460	15.3
92.05805	0.7
93.03356	0.7
93.07029	17.3
95.01292	1.7
95.04951	12.4
95.08591	42.3
96.01516	0.9
96.05659	0.8
96.08083	0.9
96.08948	1.6
97.07628	0.9
98.97556	2.2
103.05435	1.7
105.03362	2.3
105.04497	1.0
105.07017	24.0
106.06551	1.3
107.04927	2.6
107.08569	6.6
108.04497	0.9
108.05717	8.2
109.02898	1.0
109.06500	12.4
109.07622	1.1
109.10136	7.3
110.01270	2.4
110.05988	0.8
110.07153	5.2
111.04417	2.4
111.07932	13.5
115.05394	0.7
116.98585	1.7
119.01773	3.6
119.04926	3.7
121.02872	1.2
121.06493	0.6
123.03503	1.2
123.04397	17.3
123.08046	47.9
123.11681	4.7
124.03923	1.4
124.04765	0.8
124.07619	1.2
124.08599	2.3
125.69787	0.7
127.07541	0.8
128.02315	3.4
128.98579	1.2
133.02811	1.8
133.06516	3.3
133.07396	0.7
133.10115	6.1
134.05975	1.1
134.07047	1.0
134.99643	1.1
136.05174	2.4
137.02864	0.9
139.53053	1.2
141.05338	0.8
146.99628	2.3
151.02823	3.8
151.03888	14.8
151.07516	100.0
151.09700	4.4
151.11099	12.9
152.01637	2.1
152.04471	0.8
152.06885	4.7
152.07961	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	151.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01863	1.0
55.05500	0.9
56.05021	0.4
56.96552	0.5
57.03415	0.6
65.03931	5.5
66.04693	0.3
67.05495	4.4
68.05003	1.6
68.99776	0.4
69.03413	1.1
69.04536	0.6
69.07060	0.6
69.29739	0.6
69.30141	2.5
70.78796	0.3
72.59646	0.3
79.05482	3.3
79.09032	0.3
80.05006	0.4
80.06265	1.0
81.03409	0.5
81.04478	0.3
81.07050	5.2
82.06596	0.4
83.04945	0.3
83.06106	1.0
90.04724	0.3
91.05471	100.0
92.05807	2.5
92.93879	0.3
93.05817	0.6
93.07023	3.4
95.01327	0.4
95.04960	10.5
95.06053	0.4
95.08597	5.2
97.07632	0.6
98.20657	0.6
101.00767	0.3
103.05452	0.8
105.03388	0.7
105.07024	5.7
106.06557	0.4
107.04944	1.4
107.08572	1.8
108.05738	3.6
109.02838	0.4
109.06525	3.1
109.07629	0.7
109.10148	1.7
110.01323	0.3
110.07164	2.6
111.04448	0.4
111.07937	6.3
112.35498	0.3
114.95057	0.3
119.04930	48.6
120.05247	1.3
121.06499	0.5
123.03606	0.3
123.04421	2.4
123.08053	5.0
123.11690	0.8
124.07570	0.4
124.08709	1.0
133.06461	1.2
133.10133	1.3
134.06032	0.5
134.07104	0.8
136.05183	11.5
136.08827	0.4
137.05981	5.6
151.02785	1.0
151.03915	4.7
151.07527	49.6
151.09773	2.3
151.11043	4.5
152.01636	0.7
152.07016	1.3
152.07988	1.0
160.07500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03934	1.2
55.01863	1.0
55.05500	0.9
56.05021	0.4
56.96552	0.5
57.03415	0.6
65.03931	5.5
66.04693	0.3
67.05495	4.4
68.05003	1.6
68.99776	0.4
69.03413	1.1
69.04536	0.6
69.07060	0.6
69.29739	0.6
69.30141	2.5
70.78796	0.3
72.59646	0.3
79.05482	3.3
79.09032	0.3
80.05006	0.4
80.06265	1.0
81.03409	0.5
81.04478	0.3
81.07050	5.2
82.06596	0.4
83.04945	0.3
83.06106	1.0
90.04724	0.3
91.05471	100.0
92.05807	2.5
92.93879	0.3
93.05817	0.6
93.07023	3.4
95.01327	0.4
95.04960	10.5
95.06053	0.4
95.08597	5.2
97.07632	0.6
98.20657	0.6
101.00767	0.3
103.05452	0.8
105.03388	0.7
105.07024	5.7
106.06557	0.4
107.04944	1.4
107.08572	1.8
108.05738	3.6
109.02838	0.4
109.06525	3.1
109.07629	0.7
109.10148	1.7
110.01323	0.3
110.07164	2.6
111.04448	0.4
111.07937	6.3
112.35498	0.3
114.95057	0.3
119.04930	48.6
120.05247	1.3
121.06499	0.5
123.03606	0.3
123.04421	2.4
123.08053	5.0
123.11690	0.8
124.07570	0.4
124.08709	1.0
133.06461	1.2
133.10133	1.3
134.06032	0.5
134.07104	0.8
136.05183	11.5
136.08827	0.4
137.05981	5.6
151.02785	1.0
151.03915	4.7
151.07527	49.6
151.09773	2.3
151.11043	4.5
152.01636	0.7
152.07016	1.3
152.07988	1.0
160.07500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03940	5.2
54.98052	0.4
55.01856	2.3
55.05502	100.0
56.05026	0.6
56.05840	1.5
56.96542	0.5
57.03429	1.1
57.07070	1.3
59.04995	2.9
65.03930	5.4
67.05495	20.2
68.05034	2.5
68.99805	0.7
69.03413	1.7
69.04540	0.8
69.07061	2.2
70.81329	0.6
70.81653	0.9
71.04985	0.7
77.03905	0.9
79.05484	10.1
80.05015	0.6
80.05865	0.6
81.03419	1.2
81.07043	32.3
82.06603	0.8
82.07373	0.8
83.04968	0.5
83.06118	1.1
83.08612	0.5
83.85413	0.4
84.05650	0.5
85.06493	0.5
87.38725	0.4
91.05468	40.3
92.05773	1.2
93.03386	0.5
93.07028	8.5
93.07610	0.5
94.06557	1.1
95.01329	0.7
95.04952	16.4
95.06068	0.9
95.08589	7.6
96.05286	0.5
96.08138	0.9
97.06515	17.1
97.07577	1.0
105.04524	0.5
105.07017	11.9
105.07676	1.0
106.06561	0.8
107.04945	1.1
107.06068	0.5
107.08578	10.6
108.02082	1.8
108.04486	0.5
108.05663	0.9
109.02843	0.5
109.06509	14.0
109.07651	2.1
109.10140	15.6
110.06044	0.6
110.07223	3.4
111.04433	1.2
111.05587	0.5
111.07938	5.8
111.08661	0.8
112.10030	0.5
115.05354	0.5
119.04924	17.9
120.05256	1.2
121.06477	0.7
121.10110	0.8
122.07266	1.0
123.04415	10.0
123.08044	6.1
123.11680	10.1
124.02198	0.5
124.03931	0.7
124.04772	0.7
124.07603	1.1
124.08595	1.0
131.08528	0.8
133.02838	1.2
133.06473	1.2
133.10120	4.3
134.06050	0.6
134.07072	1.0
136.05156	2.6
136.08826	0.7
137.05968	1.3
141.05470	1.6
151.02895	1.0
151.03886	14.4
151.05026	3.1
151.06262	0.7
151.07521	10.6
151.08667	0.9
151.09772	2.5
151.11148	17.0
152.01640	0.7
152.04359	0.6
152.07039	2.4
152.08112	1.0
152.11678	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	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03944	4.3
54.46529	0.7
55.01857	2.5
55.05509	5.8
56.05010	1.5
56.96555	1.9
57.03419	2.6
57.07069	2.0
59.04976	2.4
65.03939	5.8
67.01841	4.3
67.05158	1.4
67.05499	23.6
68.05026	5.9
68.99777	1.3
69.03426	3.9
69.04535	1.7
69.07058	3.1
69.89896	4.4
70.06578	2.3
77.03914	1.2
79.05478	12.7
80.05010	1.5
80.05828	1.0
81.03395	3.4
81.04550	1.0
81.07047	35.4
82.06569	1.6
82.07369	0.9
83.04958	1.8
83.06101	4.7
84.04478	0.9
85.02867	1.3
90.96798	0.8
91.05477	20.6
92.05770	1.3
93.04500	1.0
93.07035	12.4
94.06553	1.1
94.07365	0.9
95.01273	0.9
95.04958	16.7
95.06085	2.2
95.07684	1.2
95.08592	18.1
96.04528	0.9
96.05727	0.9
96.08119	1.6
96.26487	0.7
97.06503	1.1
97.07635	1.7
98.20789	1.0
103.05470	1.8
105.03366	2.8
105.04490	1.1
105.07018	28.0
106.06536	2.4
106.07281	1.6
107.04942	3.3
107.06052	1.0
107.08582	14.3
108.02068	2.0
108.04488	1.6
108.05706	1.4
109.02863	1.6
109.06509	24.3
109.07638	3.7
109.10149	12.9
110.06047	1.5
110.07174	8.5
111.04412	2.9
111.05531	0.9
111.07942	16.4
111.09208	1.0
112.09932	0.9
119.04928	2.6
121.06499	2.3
121.10139	3.7
121.50078	0.8
122.07206	1.1
123.03429	1.1
123.04414	17.1
123.08060	15.9
123.08975	1.6
123.10887	1.3
123.11705	10.3
124.03948	1.7
124.04840	0.9
124.07610	1.0
124.08665	3.6
131.08591	0.9
133.06488	3.3
133.07506	0.8
133.10120	10.2
134.06065	1.4
134.07114	2.9
135.08107	0.9
135.09102	1.0
136.08842	3.4
141.05464	2.1
146.99533	1.0
148.84033	0.8
151.02798	3.2
151.03894	20.6
151.05013	3.2
151.07549	21.8
151.09961	13.0
151.11171	100.0
152.01651	2.0
152.03339	1.1
152.07051	7.3
152.08090	1.7
152.11598	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	151.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
53.96991	0.6
55.01857	1.8
55.05495	5.1
56.96550	1.3
57.03411	2.5
57.07053	1.0
59.04982	1.9
65.03918	2.4
67.05159	1.0
67.05495	15.3
68.05022	1.7
69.03399	2.5
69.07043	2.8
70.94505	1.3
70.94884	1.2
71.04987	1.1
77.48431	0.6
79.05480	10.8
80.04987	0.7
81.03407	1.2
81.07046	27.4
82.07371	1.1
82.43757	0.7
83.04966	2.0
83.06065	1.6
91.05467	34.3
92.05798	1.7
93.07030	12.4
94.04150	0.7
94.07317	0.8
95.04945	9.6
95.08595	12.5
96.08942	0.7
97.06499	1.5
98.97569	1.2
103.05428	1.1
105.03352	0.9
105.07017	20.6
106.07339	0.9
107.04961	1.8
107.08589	13.1
108.05733	3.1
109.06506	18.5
109.10138	13.3
110.07146	2.4
111.07955	6.9
119.01781	1.8
119.04932	12.0
119.05805	1.3
121.06467	1.8
121.10136	3.2
123.04404	6.1
123.08051	12.0
123.11681	8.6
124.03888	1.0
124.07611	0.8
124.08690	1.1
128.02269	1.1
133.02892	1.1
133.06494	1.4
133.10107	12.1
134.10484	0.6
135.10783	0.6
136.05180	2.7
136.08798	1.4
137.05939	0.8
151.02763	1.5
151.03894	5.8
151.04977	1.0
151.07530	22.0
151.11157	100.0
152.01624	1.0
152.07062	2.7
152.11536	3.8
163.86151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03932	2.3
53.96991	0.6
55.01857	1.8
55.05495	5.1
56.96550	1.3
57.03411	2.5
57.07053	1.0
59.04982	1.9
65.03918	2.4
67.05159	1.0
67.05495	15.3
68.05022	1.7
69.03399	2.5
69.07043	2.8
70.94505	1.3
70.94884	1.2
71.04987	1.1
77.48431	0.6
79.05480	10.8
80.04987	0.7
81.03407	1.2
81.07046	27.4
82.07371	1.1
82.43757	0.7
83.04966	2.0
83.06065	1.6
91.05467	34.3
92.05798	1.7
93.07030	12.4
94.04150	0.7
94.07317	0.8
95.04945	9.6
95.08595	12.5
96.08942	0.7
97.06499	1.5
98.97569	1.2
103.05428	1.1
105.03352	0.9
105.07017	20.6
106.07339	0.9
107.04961	1.8
107.08589	13.1
108.05733	3.1
109.06506	18.5
109.10138	13.3
110.07146	2.4
111.07955	6.9
119.01781	1.8
119.04932	12.0
119.05805	1.3
121.06467	1.8
121.10136	3.2
123.04404	6.1
123.08051	12.0
123.11681	8.6
124.03888	1.0
124.07611	0.8
124.08690	1.1
128.02269	1.1
133.02892	1.1
133.06494	1.4
133.10107	12.1
134.10484	0.6
135.10783	0.6
136.05180	2.7
136.08798	1.4
137.05939	0.8
151.02763	1.5
151.03894	5.8
151.04977	1.0
151.07530	22.0
151.11157	100.0
152.01624	1.0
152.07062	2.7
152.11536	3.8
163.86151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
54.46529	0.7
55.01857	2.5
55.05509	5.8
56.05010	1.5
56.96555	1.9
57.03419	2.6
57.07069	2.0
59.04976	2.4
65.03939	5.8
67.01841	4.3
67.05158	1.4
67.05499	23.6
68.05026	5.9
68.99777	1.3
69.03426	3.9
69.04535	1.7
69.07058	3.1
69.89896	4.4
70.06578	2.3
77.03914	1.2
79.05478	12.7
80.05010	1.5
80.05828	1.0
81.03395	3.4
81.04550	1.0
81.07047	35.4
82.06569	1.6
82.07369	0.9
83.04958	1.8
83.06101	4.7
84.04478	0.9
85.02867	1.3
90.96798	0.8
91.05477	20.6
92.05770	1.3
93.04500	1.0
93.07035	12.4
94.06553	1.1
94.07365	0.9
95.01273	0.9
95.04958	16.7
95.06085	2.2
95.07684	1.2
95.08592	18.1
96.04528	0.9
96.05727	0.9
96.08119	1.6
96.26487	0.7
97.06503	1.1
97.07635	1.7
98.20789	1.0
103.05470	1.8
105.03366	2.8
105.04490	1.1
105.07018	28.0
106.06536	2.4
106.07281	1.6
107.04942	3.3
107.06052	1.0
107.08582	14.3
108.02068	2.0
108.04488	1.6
108.05706	1.4
109.02863	1.6
109.06509	24.3
109.07638	3.7
109.10149	12.9
110.06047	1.5
110.07174	8.5
111.04412	2.9
111.05531	0.9
111.07942	16.4
111.09208	1.0
112.09932	0.9
119.04928	2.6
121.06499	2.3
121.10139	3.7
121.50078	0.8
122.07206	1.1
123.03429	1.1
123.04414	17.1
123.08060	15.9
123.08975	1.6
123.10887	1.3
123.11705	10.3
124.03948	1.7
124.04840	0.9
124.07610	1.0
124.08665	3.6
131.08591	0.9
133.06488	3.3
133.07506	0.8
133.10120	10.2
134.06065	1.4
134.07114	2.9
135.08107	0.9
135.09102	1.0
136.08842	3.4
141.05464	2.1
146.99533	1.0
148.84033	0.8
151.02798	3.2
151.03894	20.6
151.05013	3.2
151.07549	21.8
151.09961	13.0
151.11171	100.0
152.01651	2.0
152.03339	1.1
152.07051	7.3
152.08090	1.7
152.11598	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	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03946	1.1
55.01861	0.6
55.05506	7.5
56.96555	1.0
57.07072	1.7
60.61474	0.4
64.54374	0.4
65.03931	3.5
66.39272	0.5
67.05498	86.5
68.05836	1.9
69.07055	5.0
69.24340	0.6
69.24656	5.4
79.05487	7.1
80.05011	0.6
81.03410	0.9
81.07049	49.7
82.07378	0.7
83.04951	0.6
83.08587	0.8
89.06013	0.5
91.05470	3.6
93.07037	6.3
95.04948	2.8
95.08597	100.0
96.04405	0.8
96.08102	0.7
96.08929	2.5
98.21483	1.0
98.97535	0.8
105.03394	0.5
105.07010	4.3
106.06586	0.8
107.04958	0.6
107.08566	2.5
108.04475	0.8
109.02773	0.5
109.06528	3.5
109.10145	51.1
110.01228	0.5
110.06029	0.6
110.10489	1.5
111.04457	0.5
116.98618	0.7
119.01730	0.6
123.03519	0.8
123.04402	3.0
123.08046	2.9
123.11696	2.4
124.03857	0.5
124.07584	1.9
133.06528	0.7
133.10094	2.0
134.05986	1.5
151.02823	2.3
151.03896	4.7
151.04987	0.7
151.06297	0.6
151.07510	4.0
151.08612	0.7
151.11174	3.5
151.14810	8.8
152.01642	1.4
152.03227	0.8
152.07021	4.3
152.15160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28868	0.2
55.01857	0.8
55.02983	0.5
55.05497	0.3
56.96560	9.9
56.96839	0.6
57.03436	2.6
58.99865	0.3
61.02927	0.4
63.47645	0.2
65.03932	2.1
65.32672	0.2
67.02979	0.3
67.05483	0.8
68.05008	0.6
68.63676	0.2
69.03410	0.6
69.07043	0.2
70.06575	0.7
70.94272	0.3
70.98106	0.2
70.99854	0.4
71.01371	0.3
71.51160	0.4
71.51501	0.3
71.86261	0.2
71.95252	0.5
73.01395	0.4
74.97624	0.3
77.00888	0.8
78.00983	0.2
78.52953	0.3
79.05476	1.3
80.02516	0.3
80.03812	0.2
80.05011	0.6
81.03402	0.6
81.04523	0.4
81.05798	0.3
82.01399	0.2
82.02634	0.4
82.04051	0.6
82.06564	0.6
83.04984	0.3
83.06093	0.5
84.01555	0.3
84.96022	0.5
85.01336	0.2
85.02895	1.6
89.00807	0.3
91.02437	1.4
92.04990	2.6
93.03396	0.7
93.05779	1.0
94.06553	1.0
94.07121	0.2
95.04977	0.5
95.06057	0.3
96.04459	0.6
96.08123	0.7
97.02895	0.8
97.06478	0.4
97.07648	0.6
98.01286	0.5
98.97582	2.3
99.04459	0.3
100.02454	1.2
101.00844	0.9
102.02225	0.3
103.00618	0.3
103.02412	1.2
106.06551	0.6
107.03559	0.4
107.04948	1.4
108.04485	0.3
109.02839	0.4
109.03479	0.7
109.05130	2.2
109.07620	1.0
110.01304	0.4
110.02153	0.7
110.03515	12.0
110.06026	8.6
110.07171	0.3
110.97566	2.2
111.04443	2.1
111.09198	0.4
113.05863	0.2
114.04062	0.3
115.02422	2.4
116.98615	1.1
117.02157	0.4
117.02911	0.3
117.03965	0.6
118.03493	0.8
119.01894	3.4
120.01983	0.2
121.01632	0.8
121.03481	0.9
122.06025	1.8
124.01865	0.3
124.03958	1.1
124.04732	0.3
124.07569	0.9
125.04729	1.3
125.05997	1.2
125.06956	0.3
127.03896	0.3
128.04549	5.9
128.98596	4.5
129.03969	1.3
131.01849	0.3
133.03477	3.0
134.03600	0.5
134.04515	1.2
134.06026	1.9
134.06975	0.5
134.09601	0.3
134.99678	0.6
135.03006	16.4
135.09145	0.4
136.01395	0.7
137.02933	0.8
138.05438	0.6
140.04938	0.2
142.96594	0.3
143.01894	0.4
144.03258	0.3
145.03432	0.6
146.99629	5.5
147.01352	1.5
147.03146	0.3
147.04991	2.9
149.03743	1.1
149.84094	0.3
151.04559	0.3
152.05667	100.0
152.07037	78.7
152.11740	1.2
153.04057	38.5
153.06020	1.6
153.07397	2.5
154.02420	0.9
154.04454	0.7
159.03285	0.3
161.02959	0.3
161.06506	0.2
165.00726	1.0
165.06079	0.5
170.01183	0.3
170.03061	0.3
171.05045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
53.28868	0.2
55.01857	0.8
55.02983	0.5
55.05497	0.3
56.96560	9.9
56.96839	0.6
57.03436	2.6
58.99865	0.3
61.02927	0.4
63.47645	0.2
65.03932	2.1
65.32672	0.2
67.02979	0.3
67.05483	0.8
68.05008	0.6
68.63676	0.2
69.03410	0.6
69.07043	0.2
70.06575	0.7
70.94272	0.3
70.98106	0.2
70.99854	0.4
71.01371	0.3
71.51160	0.4
71.51501	0.3
71.86261	0.2
71.95252	0.5
73.01395	0.4
74.97624	0.3
77.00888	0.8
78.00983	0.2
78.52953	0.3
79.05476	1.3
80.02516	0.3
80.03812	0.2
80.05011	0.6
81.03402	0.6
81.04523	0.4
81.05798	0.3
82.01399	0.2
82.02634	0.4
82.04051	0.6
82.06564	0.6
83.04984	0.3
83.06093	0.5
84.01555	0.3
84.96022	0.5
85.01336	0.2
85.02895	1.6
89.00807	0.3
91.02437	1.4
92.04990	2.6
93.03396	0.7
93.05779	1.0
94.06553	1.0
94.07121	0.2
95.04977	0.5
95.06057	0.3
96.04459	0.6
96.08123	0.7
97.02895	0.8
97.06478	0.4
97.07648	0.6
98.01286	0.5
98.97582	2.3
99.04459	0.3
100.02454	1.2
101.00844	0.9
102.02225	0.3
103.00618	0.3
103.02412	1.2
106.06551	0.6
107.03559	0.4
107.04948	1.4
108.04485	0.3
109.02839	0.4
109.03479	0.7
109.05130	2.2
109.07620	1.0
110.01304	0.4
110.02153	0.7
110.03515	12.0
110.06026	8.6
110.07171	0.3
110.97566	2.2
111.04443	2.1
111.09198	0.4
113.05863	0.2
114.04062	0.3
115.02422	2.4
116.98615	1.1
117.02157	0.4
117.02911	0.3
117.03965	0.6
118.03493	0.8
119.01894	3.4
120.01983	0.2
121.01632	0.8
121.03481	0.9
122.06025	1.8
124.01865	0.3
124.03958	1.1
124.04732	0.3
124.07569	0.9
125.04729	1.3
125.05997	1.2
125.06956	0.3
127.03896	0.3
128.04549	5.9
128.98596	4.5
129.03969	1.3
131.01849	0.3
133.03477	3.0
134.03600	0.5
134.04515	1.2
134.06026	1.9
134.06975	0.5
134.09601	0.3
134.99678	0.6
135.03006	16.4
135.09145	0.4
136.01395	0.7
137.02933	0.8
138.05438	0.6
140.04938	0.2
142.96594	0.3
143.01894	0.4
144.03258	0.3
145.03432	0.6
146.99629	5.5
147.01352	1.5
147.03146	0.3
147.04991	2.9
149.03743	1.1
149.84094	0.3
151.04559	0.3
152.05667	100.0
152.07037	78.7
152.11740	1.2
153.04057	38.5
153.06020	1.6
153.07397	2.5
154.02420	0.9
154.04454	0.7
159.03285	0.3
161.02959	0.3
161.06506	0.2
165.00726	1.0
165.06079	0.5
170.01183	0.3
170.03061	0.3
171.05045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03928	0.3
55.01858	0.5
55.05487	0.4
56.05005	0.2
56.96557	11.6
57.03427	2.3
58.96156	0.3
60.95818	0.3
61.02904	0.9
65.03932	1.4
67.05491	1.2
68.04997	0.3
68.98252	0.2
69.03417	1.4
69.65779	1.4
70.98102	0.5
71.04956	0.3
71.95256	1.0
73.02914	1.6
74.56167	0.2
74.97592	0.3
77.00860	0.3
77.62896	0.2
79.05484	1.7
80.05003	0.2
81.03398	0.6
81.05780	0.2
81.07038	0.5
83.00742	0.3
83.04956	0.6
84.01514	0.2
84.96000	0.7
85.02879	1.3
86.99326	0.5
87.01888	0.3
88.99123	0.3
89.00795	0.4
90.01552	0.5
91.00572	0.2
91.02351	0.4
92.04993	2.9
93.03387	0.6
93.05760	1.1
93.12366	0.2
94.02641	0.2
94.06546	0.7
95.04946	0.8
95.10485	0.2
95.56293	0.2
96.01510	0.2
96.02399	0.3
96.04452	0.3
96.08105	0.3
97.02884	1.0
97.06496	0.5
97.99133	0.2
98.01256	0.8
98.03204	0.2
98.97570	2.8
99.04439	0.2
99.68719	0.2
99.97912	0.3
100.02475	0.8
101.00880	0.6
101.01579	0.2
102.02284	0.3
102.96827	0.2
103.02437	1.6
103.40887	0.2
105.00327	0.4
106.06502	0.5
107.00111	0.5
107.04947	1.5
108.04469	0.3
108.08097	0.4
109.05089	0.2
110.01237	0.8
110.03510	1.6
110.06026	9.8
110.51472	0.5
110.97557	4.1
111.02985	0.2
111.04420	0.6
111.06322	0.2
112.00925	0.2
113.00877	0.2
115.02392	0.4
116.98597	1.9
117.02155	0.4
117.03934	0.2
118.03491	0.7
119.01861	2.8
119.03704	0.3
119.51930	1.0
121.01494	0.3
121.03501	1.2
122.06012	1.8
123.02895	0.4
123.06793	0.6
124.03938	0.5
124.07573	1.1
125.04705	1.1
125.05999	1.2
125.06849	0.2
128.02271	0.4
128.04509	0.7
128.52492	1.0
128.98589	9.6
129.00272	0.8
129.02150	0.3
129.03961	1.2
129.98924	0.2
131.01886	1.0
132.03419	0.4
132.05107	0.2
133.03421	0.7
134.06017	2.0
134.06987	0.3
134.99646	1.0
135.03011	1.3
135.04355	0.4
137.02930	0.8
137.52972	0.3
138.05475	0.7
143.00156	0.3
143.01872	0.6
145.03394	0.4
146.99614	9.2
147.01358	5.6
147.03119	1.4
147.05011	1.9
147.99928	0.3
148.01500	0.3
149.02798	0.3
149.03804	0.3
149.06516	0.2
152.05687	10.7
152.07027	100.0
153.04037	3.4
153.05400	0.8
153.07455	3.3
154.02388	0.2
155.01851	0.3
158.99606	0.3
159.05023	0.3
161.01297	0.3
161.02910	0.9
165.00693	1.5
165.02383	1.0
165.06178	0.3
170.01384	0.3
170.02954	1.5
171.05034	0.7
173.02924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.00286	0.7
53.03929	2.9
55.01857	5.0
55.05503	14.9
56.05016	2.9
56.05843	1.0
56.78299	0.7
57.03431	3.4
57.07051	1.5
59.04987	8.4
64.19624	0.7
65.03596	1.5
65.03931	25.6
67.02954	1.3
67.05495	12.4
68.05020	3.8
68.96313	2.1
68.99779	1.9
69.03069	1.0
69.03423	15.4
69.04546	3.0
69.07055	9.8
69.36057	2.9
69.36487	4.1
70.06593	4.3
70.94245	9.8
70.95869	1.0
71.01350	0.9
71.04980	10.3
71.06102	1.1
71.94102	4.8
72.08137	3.3
73.06537	4.9
79.05479	27.9
80.04985	1.6
81.03399	1.9
81.04521	3.3
81.07047	33.8
82.06565	1.5
82.07351	1.5
83.01318	1.1
83.04973	14.6
83.06085	2.2
83.08611	2.8
84.08140	1.2
85.02884	1.3
85.06540	0.8
85.07625	1.0
86.97388	1.0
88.95276	3.4
91.05470	17.8
93.03395	7.5
93.07027	27.1
94.06551	1.7
95.04955	42.5
95.06009	4.5
95.08603	5.7
97.02880	8.0
97.06513	15.9
97.07630	1.8
97.08309	0.7
97.10148	1.3
97.27898	0.9
98.07104	0.6
105.07015	6.4
107.01324	0.8
107.04948	10.6
107.06094	1.2
107.08581	39.7
107.67456	0.6
108.04420	0.8
108.05602	2.4
108.08088	1.5
108.08869	1.2
109.02937	0.9
109.06504	10.5
109.07622	5.1
109.10153	6.8
110.03652	4.5
110.06049	1.2
110.07246	4.8
110.07906	1.3
111.04432	44.0
111.08062	100.0
111.09248	2.9
111.96873	4.0
112.03980	0.7
112.04793	1.3
112.08681	6.8
112.96654	0.9
113.05858	5.7
113.07106	1.4
117.07032	1.5
119.06059	2.4
119.07280	0.7
123.02343	0.8
123.08049	1.6
125.02370	1.4
125.05980	17.9
125.09610	59.3
126.05470	2.1
126.06485	1.5
126.10191	3.5
127.05061	0.7
129.97856	4.6
130.96301	2.0
130.97705	0.9
134.06007	0.8
135.04410	4.4
135.05295	0.9
135.08037	10.3
135.11658	6.8
136.04007	0.8
136.05038	1.1
136.07556	2.9
136.08669	3.1
137.07124	1.2
138.03117	1.2
138.06743	1.2
139.03876	0.8
139.07526	2.2
148.97325	4.8
153.01830	7.7
153.05481	14.3
153.07591	2.9
153.09085	25.1
153.10149	1.5
153.11334	13.6
153.12718	9.3
154.04941	4.9
154.06018	1.0
154.08566	4.5
154.09697	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02369	2.3
53.00307	1.8
53.03930	5.0
54.03458	2.7
54.84657	1.3
55.01850	6.2
55.05249	1.9
55.05504	24.3
56.05018	3.3
56.24607	1.4
56.96556	1.6
57.03415	2.8
57.04537	1.6
58.06588	2.3
59.04993	8.9
61.50698	1.4
65.03590	2.2
65.03931	39.7
66.04250	1.9
67.05495	19.8
68.05009	5.3
68.96304	3.3
68.99794	1.7
69.03419	14.2
69.04531	3.3
69.07059	22.1
69.96703	1.4
70.06568	5.1
70.94250	13.9
70.95858	2.4
71.04983	35.3
71.06083	2.5
71.15085	3.4
71.94093	11.0
72.08139	4.8
73.06205	2.0
73.06547	21.5
76.07281	1.3
79.01842	17.3
79.05485	51.3
81.03391	2.4
81.04514	5.8
81.07048	100.0
82.04168	1.6
82.06597	2.2
82.07376	2.8
83.01340	1.5
83.04970	14.3
83.06076	4.3
83.08591	3.2
84.04520	1.9
84.08121	2.3
85.07659	1.5
86.97353	1.4
88.95254	3.4
91.05463	17.1
92.05763	1.3
93.03388	15.3
93.07030	53.3
94.06553	2.8
94.65237	1.5
95.04957	82.2
95.06033	5.4
95.08603	13.8
96.04460	1.5
96.08118	2.2
97.02877	6.1
97.06516	19.5
97.07673	2.0
98.33496	1.3
99.05544	1.8
105.06996	6.5
107.01308	8.1
107.04950	13.6
107.06039	1.8
107.08581	64.2
108.04491	1.8
108.05604	2.4
108.08147	1.5
108.08934	1.7
109.02890	1.5
109.03954	1.7
109.06517	11.5
109.07647	9.4
109.10138	13.6
109.98898	2.0
110.03634	9.2
110.07133	2.7
111.04429	70.6
111.05554	2.8
111.06850	1.8
111.08054	16.3
111.09180	6.2
111.96868	6.1
112.03939	1.8
112.04805	1.7
112.08758	8.4
112.96709	2.4
113.05856	7.3
117.06989	4.0
119.08559	2.5
123.00813	1.6
123.04406	1.3
125.02371	8.0
125.05972	30.7
125.06957	2.2
125.09612	6.2
126.10287	2.7
127.99935	2.0
129.97932	3.3
130.96278	4.1
130.97729	1.8
135.04396	6.6
135.08055	9.4
135.11676	22.0
136.07516	5.7
136.08646	5.4
136.12029	1.4
137.07050	3.3
138.03079	2.9
138.06697	1.5
139.03914	3.2
143.03381	10.9
148.97365	10.6
152.99715	1.4
153.01819	36.9
153.02917	4.8
153.04271	2.0
153.05457	21.6
153.07590	4.7
153.09073	14.6
153.10185	3.5
153.11316	18.9
153.12704	14.5
154.02103	1.8
154.04906	6.8
154.06030	1.5
154.08574	4.3
154.09756	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00304	2.1
53.03942	3.9
55.01857	3.8
55.05505	18.6
56.05023	2.8
56.96563	1.8
57.03422	3.8
57.07066	2.0
57.66174	0.9
59.04995	7.7
65.03934	33.2
67.01852	1.6
67.02983	1.7
67.05495	14.8
68.05004	2.9
68.96326	2.1
68.99789	1.8
69.03429	10.0
69.04540	3.8
69.07058	19.2
69.71535	0.9
70.06585	5.5
70.94245	7.7
70.95861	1.3
70.96738	3.0
71.01353	1.4
71.04986	32.4
71.06076	1.7
71.94088	4.2
72.08144	3.0
73.06546	19.9
79.05481	40.8
80.05017	1.5
80.05801	1.3
81.03400	2.0
81.04533	3.9
81.07046	100.0
82.06567	2.2
82.07392	3.1
83.04971	11.3
83.06104	3.2
83.08599	3.3
84.04471	1.1
84.08154	1.0
85.02908	2.4
85.04006	1.0
85.06504	1.1
85.07652	2.0
88.95292	3.4
91.05476	17.8
93.03390	12.3
93.07031	48.4
94.06558	3.0
94.07370	1.0
95.04951	18.0
95.06064	6.8
95.08595	11.4
96.04533	1.2
97.02894	1.7
97.04002	1.2
97.06522	17.8
97.07631	3.2
105.06992	4.6
107.04946	9.3
107.08583	52.4
108.04471	1.4
108.05595	1.7
108.08109	2.1
108.08917	1.4
109.02914	1.2
109.06506	9.2
109.07628	6.3
109.10132	12.2
110.03647	7.1
110.06033	1.4
110.07152	3.1
110.07872	1.2
111.04432	57.4
111.05620	2.7
111.08064	11.3
111.09235	5.1
111.96861	4.6
112.05103	1.1
112.08703	8.4
112.96716	2.3
113.05842	7.1
113.07114	1.9
115.05410	1.5
117.07001	3.7
119.06043	1.6
119.08562	1.2
120.09325	1.0
123.04415	1.5
125.05985	25.6
125.09612	2.7
126.05494	2.5
126.06427	1.9
126.09188	1.0
126.10262	1.4
129.97873	3.5
130.96275	1.7
135.04424	3.7
135.08052	7.6
135.11687	20.4
136.03934	2.1
136.04999	2.2
136.07541	3.8
136.08676	4.4
137.07051	1.2
138.03104	8.4
139.03905	3.1
148.97299	5.8
153.00668	1.8
153.01833	18.5
153.04330	1.1
153.05449	29.1
153.06572	1.1
153.07779	2.0
153.09106	8.2
153.10194	2.1
153.11346	18.7
153.12724	13.6
154.02264	1.3
154.04926	5.9
154.08611	2.9
154.09766	5.1
161.12927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	1.5
55.01860	2.0
55.05504	7.2
56.05004	0.8
57.03434	3.8
57.04555	0.7
57.07062	2.6
59.04979	2.4
63.34332	0.5
65.03932	13.7
67.05499	15.3
68.05039	1.0
68.05821	0.7
68.96306	0.7
68.99796	1.1
69.03419	3.3
69.04534	0.8
69.06715	1.1
69.07063	14.1
69.76553	4.1
70.06576	2.1
70.94254	3.8
70.95860	0.6
71.04986	3.2
71.94095	2.7
74.16329	0.6
79.05482	16.2
80.05031	0.6
81.07043	17.0
83.01337	0.7
83.04973	11.9
83.06062	0.8
83.08615	3.4
84.04546	0.6
84.08141	0.6
88.95290	1.0
89.27828	0.6
91.05464	10.7
91.74424	0.6
93.03404	5.3
93.07033	71.6
94.07354	1.4
94.67660	0.7
95.04961	5.4
95.06071	1.9
95.08595	58.1
96.08921	2.0
97.02888	1.2
97.06523	19.6
97.07500	0.8
105.04542	0.8
105.07009	2.9
107.04952	3.1
107.08579	100.0
108.05585	0.6
108.08191	0.9
108.08926	2.6
109.06494	3.0
109.07646	1.0
109.10144	21.8
110.03622	1.9
110.07180	1.0
110.10435	1.1
111.04427	22.2
111.08056	4.3
111.09196	1.7
111.96894	1.5
112.08731	2.9
112.96709	0.9
113.05856	0.8
119.06052	1.1
119.08635	0.6
125.05974	10.1
125.09623	1.7
129.97910	1.9
130.96286	0.8
135.04405	2.0
135.08057	2.5
135.11673	44.0
136.07645	0.9
136.08694	1.7
136.12064	1.6
138.06738	0.7
138.47862	0.6
143.35123	0.6
148.97316	1.5
153.01816	4.7
153.05458	5.7
153.09204	3.0
153.11346	5.8
153.12733	22.1
153.13931	1.3
154.04973	1.5
154.08612	0.8
154.09702	1.1
165.20428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03943	2.0
54.70935	0.6
55.01876	1.5
55.05503	12.3
57.03437	5.6
57.07064	1.9
59.05002	1.6
64.54514	0.6
65.03928	6.2
67.05498	35.4
68.05826	0.7
69.03427	2.1
69.07063	54.2
70.07404	1.7
70.94259	3.0
70.95856	1.0
71.04983	2.8
71.14913	0.6
71.18463	1.7
71.94090	4.3
71.95258	2.8
79.05486	27.1
81.03416	0.9
81.07050	38.5
82.07378	0.8
83.04973	6.1
83.08621	5.9
85.02888	0.7
85.06515	3.3
91.05454	5.7
93.03391	3.1
93.07037	46.9
93.48888	0.7
94.07346	0.9
95.04979	3.7
95.08599	21.3
97.02901	0.9
97.06525	22.3
105.07024	2.4
107.04944	2.8
107.08585	54.2
108.04510	0.9
108.08149	1.0
108.08885	1.5
109.06493	1.7
109.10145	37.0
110.03625	2.3
110.10492	1.4
111.04465	10.8
111.08069	6.9
111.11709	1.5
111.96829	1.5
112.04761	1.4
112.96702	1.2
123.04421	0.8
125.05993	6.0
125.09630	1.1
126.05459	1.6
126.06333	2.3
129.97910	1.7
130.97737	1.3
135.04349	1.1
135.11682	100.0
136.03909	1.1
136.07541	0.9
136.11984	3.2
138.03094	1.0
138.05040	1.4
153.04276	1.4
153.05466	6.7
153.07489	4.7
153.09109	2.4
153.12732	80.3
154.04991	4.2
154.08582	1.1
154.13101	3.6
155.49931	0.7
164.43134	0.7
174.02641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	1.6
53.03933	3.4
55.01859	1.4
55.05508	14.6
57.03438	1.5
57.07059	1.7
59.05000	6.5
59.62746	0.8
62.86884	0.7
65.03936	7.0
67.05505	6.8
69.03421	2.1
69.07063	11.0
69.57685	5.4
70.06577	0.9
70.94254	2.0
71.04987	33.5
71.94107	1.2
73.06549	22.2
79.05488	29.4
79.05949	1.6
80.05799	0.8
80.26264	0.8
81.07050	100.0
82.07389	2.9
83.04975	3.0
83.08622	2.0
85.06540	0.8
87.28580	0.7
88.73949	0.8
91.05467	10.5
93.03401	3.7
93.07038	45.4
94.07368	1.0
95.04981	3.3
95.08600	10.4
97.06514	9.1
105.07018	2.9
107.04961	1.1
107.08585	39.6
109.06540	1.7
109.10153	6.5
110.03667	1.4
110.08833	0.8
111.04431	10.1
111.08048	4.0
111.09207	0.9
111.96862	1.3
112.08700	1.0
117.07044	1.0
119.08593	1.7
125.05981	5.4
125.09628	1.2
135.11681	22.1
136.08644	0.8
136.12059	1.4
138.03084	1.0
153.01849	2.0
153.05466	4.1
153.09119	2.0
153.11523	1.1
153.12715	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	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96205	0.2
52.64454	0.2
53.03937	0.3
54.43821	0.3
55.01851	0.5
55.05494	0.6
55.94591	0.3
56.05017	0.3
56.96562	1.5
57.03411	0.7
58.99858	2.9
59.99941	0.3
65.03922	0.8
67.05473	0.8
68.04990	0.5
69.03400	1.0
69.96162	1.6
70.06587	1.9
70.26744	0.6
70.27145	0.5
70.95838	1.1
70.99834	1.0
71.94086	0.6
72.08125	0.8
72.45187	0.3
72.93793	2.4
73.02894	0.9
77.00898	2.7
77.92040	0.3
79.05473	0.4
81.03394	1.1
81.07050	0.3
82.01424	0.5
82.05313	0.3
82.99816	0.4
83.00747	0.3
83.04966	0.3
83.06078	0.7
84.08164	0.3
85.01402	0.6
85.02876	0.5
86.06062	2.8
88.04012	0.2
88.96899	0.4
89.00853	0.8
90.94791	0.6
92.01343	0.4
93.03371	0.5
93.04520	0.9
94.06580	0.5
94.99828	0.8
95.01910	0.6
95.04919	0.3
95.06070	1.4
96.04478	3.0
96.06857	0.4
97.02895	0.7
98.97566	1.0
100.02491	2.1
101.00863	10.2
101.02557	0.3
102.00927	0.6
103.02436	2.2
105.00346	0.9
107.01901	0.4
109.02850	0.9
109.03983	0.4
110.06034	0.6
110.07146	6.7
110.09663	0.3
111.02866	0.4
111.04419	1.4
111.05539	0.3
111.98445	0.5
113.00844	13.3
113.96336	0.3
114.00953	1.1
114.01683	0.3
114.04037	0.3
115.02410	1.0
116.98638	0.5
118.01121	0.3
118.03509	1.9
119.01903	40.0
120.01936	1.4
120.08105	0.3
121.01616	0.6
121.03459	1.0
127.02414	0.4
127.03909	0.6
131.01889	100.0
131.96129	2.7
131.97295	0.4
132.01926	8.8
132.05051	2.2
132.95818	1.2
133.01639	1.1
133.03436	4.1
137.02945	10.5
137.07967	0.3
137.10704	0.7
138.03030	0.5
138.09131	2.9
142.03481	5.3
143.03566	0.3
145.03423	2.0
149.02936	25.8
149.97180	4.6
150.03004	2.8
150.06113	1.0
150.96840	2.6
151.02661	0.6
151.04509	1.3
154.03468	4.1
155.01883	7.3
155.03595	1.5
155.06978	0.4
155.08124	2.1
155.11800	0.6
156.04192	1.1
156.07683	0.4
156.10146	0.3
157.03500	0.4
160.04570	1.9
161.04759	0.4
163.04556	0.4
167.02043	0.4
167.98213	0.4
172.04568	0.6
173.02943	12.0
173.04462	0.7
174.03152	0.9
174.06123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0337
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
51.02366	0.4
53.00308	0.5
53.03943	2.7
54.93820	1.0
55.01861	1.9
55.05513	2.7
55.93511	1.7
56.05033	1.1
56.96561	0.6
57.03422	1.0
57.04560	0.6
59.04980	0.6
59.06114	0.7
60.04534	0.4
63.02370	1.5
65.03940	4.3
67.01857	20.8
67.05494	8.4
68.05022	0.9
68.99781	32.6
69.03419	2.4
69.04552	0.9
69.05339	0.4
69.07063	1.1
69.17427	4.6
69.96165	8.0
70.00134	0.5
70.06591	0.6
70.95856	21.4
71.01336	0.8
71.04983	1.8
71.94083	3.6
72.04511	0.7
72.08124	0.7
72.93779	62.6
73.02927	0.5
73.93851	0.4
79.05489	1.8
80.04985	0.5
81.03407	9.6
81.04510	0.9
81.07037	5.3
82.06584	0.5
83.01344	2.4
83.04967	4.3
83.06087	0.8
84.04491	0.6
84.08108	0.5
85.02892	1.4
85.06546	1.3
87.00829	1.1
87.04438	0.9
87.97211	0.8
88.96895	5.7
89.02388	0.5
90.94814	19.2
91.01826	0.8
91.05486	0.5
93.03405	0.9
93.07024	1.2
95.01315	2.1
95.04956	6.2
95.06045	1.0
95.08597	1.6
96.04460	0.6
96.05615	1.7
96.08164	0.3
97.02883	0.5
97.04026	0.6
97.06509	1.8
97.07632	0.8
98.07143	1.3
98.98463	0.9
99.04440	2.8
99.05523	0.5
106.97931	1.0
107.08545	0.4
108.95846	3.9
109.02871	14.7
109.06512	2.3
109.07623	1.1
109.10149	7.7
110.02467	0.7
110.06021	0.9
110.07144	1.5
110.98766	0.5
111.04427	8.2
111.05565	0.4
111.08028	0.6
111.98462	7.4
112.01601	0.8
112.08726	1.0
113.02381	2.0
113.06006	2.4
113.07130	0.4
113.08217	1.2
113.96387	24.2
114.06676	2.3
114.10253	0.8
123.04419	1.6
127.03901	14.1
127.07545	1.6
127.08458	0.5
128.08176	0.6
129.05423	0.6
129.99496	5.8
131.96135	13.0
131.97412	23.9
132.95810	17.2
137.02328	11.8
137.05959	1.4
137.06985	0.4
137.09596	1.4
138.02728	0.4
138.05574	0.7
138.06613	1.5
138.09030	0.4
140.04686	0.6
149.97186	30.7
150.96867	50.1
153.01010	0.4
154.97729	1.0
154.99036	1.9
155.03371	100.0
155.06966	8.2
155.09137	1.8
155.12891	1.3
155.97383	2.5
156.03720	2.5
156.07640	0.6
167.98218	4.1
168.97934	2.7
172.98773	1.4
173.98457	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.48760	0.6
53.03929	2.4
55.01863	1.9
55.05506	15.6
55.93505	2.2
56.96568	0.6
57.03434	4.4
57.07060	2.9
59.06092	1.2
59.10286	0.6
60.13117	0.7
65.03931	5.6
66.80081	0.7
67.05496	86.9
68.05007	0.9
68.05807	1.5
69.03416	14.9
69.07057	9.2
69.96157	0.9
70.95854	11.3
71.04980	16.8
71.06083	0.8
71.08595	0.8
71.53307	1.3
72.04519	0.8
72.93779	83.8
73.93835	0.9
79.05484	8.9
81.03415	5.1
81.07047	59.8
82.06565	1.3
82.07378	1.1
83.04977	8.2
83.06061	0.7
84.04479	2.0
85.02912	1.2
85.06532	7.0
88.96879	3.1
90.94812	24.5
91.05465	2.9
93.07055	4.7
95.04959	9.9
95.06110	0.7
95.08594	19.0
96.05637	0.9
97.06521	10.4
97.07554	0.9
98.07157	1.7
98.98453	2.3
99.04436	16.0
99.08076	8.8
107.08590	3.1
108.95868	4.8
109.02850	7.8
109.06500	4.4
109.10142	100.0
110.02390	1.8
110.06025	2.5
110.07172	1.8
110.10493	3.0
111.04431	9.2
111.05576	0.8
111.08039	1.2
111.98476	5.4
112.01559	0.8
112.08722	2.6
113.06004	6.4
113.08250	1.0
113.96389	37.2
114.06635	1.1
114.10291	0.8
114.96544	0.9
119.08540	1.9
123.04404	2.2
127.03918	6.8
127.07563	3.2
128.07082	0.9
129.05446	1.4
129.99513	2.4
131.97418	35.5
132.95824	12.8
137.02313	1.8
137.05986	1.8
137.09569	6.5
138.05505	0.8
138.06561	1.5
149.97176	3.8
150.96867	30.7
154.99060	3.5
155.03400	7.3
155.07043	11.8
155.08351	2.6
155.10655	1.5
155.12918	2.5
155.14124	0.8
155.97446	2.6
156.06512	2.2
168.43217	0.7
168.97948	1.6
173.98488	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	155.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04491	0.5
53.03926	1.9
54.03491	0.5
55.01856	2.2
55.05254	0.6
55.05502	10.4
55.93499	1.8
56.05023	1.2
56.96544	1.4
57.03434	4.9
57.04547	1.2
57.07059	1.7
58.06585	0.6
59.04980	0.8
59.06103	1.2
60.04507	0.7
60.21741	0.5
65.03932	4.6
67.01855	0.6
67.02996	0.6
67.05495	67.7
68.05017	1.3
68.05812	0.8
68.99776	1.0
69.03066	0.6
69.03421	7.9
69.04549	0.9
69.07057	6.0
69.96171	2.7
70.06583	1.0
70.95854	22.0
71.01350	0.7
71.04980	8.9
71.06083	0.6
71.54470	0.7
71.94081	1.5
72.04504	1.1
72.08141	1.5
72.93779	65.7
73.02905	1.3
73.06515	0.5
73.93839	0.6
75.54691	0.5
75.76387	0.6
79.05485	6.5
81.03416	4.7
81.04515	1.5
81.07046	42.2
82.06554	1.4
82.07363	0.7
83.04971	6.9
83.06071	0.8
83.08601	0.5
84.04468	1.6
85.02892	0.6
85.06527	3.7
85.07667	0.5
87.05571	0.5
88.96886	5.8
89.02417	0.6
90.94817	18.1
91.05451	2.5
93.03384	1.3
93.07037	2.9
95.04964	15.8
95.06045	1.2
95.08592	12.0
96.04537	0.8
96.05598	1.8
96.08085	0.6
97.04021	1.6
97.06528	5.2
98.04818	0.5
98.07159	1.8
98.98461	1.7
99.04451	9.2
99.05541	1.0
99.08076	4.9
106.97935	0.6
107.08577	3.4
108.95857	3.6
109.02861	7.6
109.06497	4.8
109.07657	1.4
109.10139	100.0
110.02374	2.0
110.06018	2.3
110.07138	2.1
110.09713	1.0
110.10461	3.2
111.04424	10.0
111.05570	1.3
111.08038	1.9
111.09200	0.7
111.98457	6.7
112.01564	1.5
112.08717	1.6
113.05984	6.7
113.07096	0.6
113.08235	1.3
113.96385	24.0
114.06633	2.9
119.08564	1.9
120.05592	0.9
123.04414	4.0
123.07928	0.6
126.09171	0.7
127.03904	8.1
127.07535	2.1
127.08614	0.4
128.92520	0.5
129.05479	0.9
129.99512	5.3
131.96144	5.9
131.97420	23.5
132.95815	19.7
135.13934	0.5
136.58159	0.7
137.02324	1.8
137.05952	2.0
137.09590	8.5
138.05511	1.3
138.06612	1.6
138.09123	2.0
140.04666	1.5
149.16402	0.6
149.97186	12.1
149.98260	0.6
150.96866	49.1
154.99007	1.6
155.03397	5.8
155.05794	0.6
155.07025	10.6
155.08171	1.4
155.09213	1.7
155.10640	2.7
155.12892	1.7
155.97385	3.5
156.06509	1.2
156.07666	1.6
156.10182	1.4
156.11343	0.6
167.98286	1.5
168.97983	2.0
173.98448	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	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03941	1.5
55.01862	1.9
55.05501	10.8
55.93527	1.2
56.05027	1.0
56.96557	0.4
57.00637	0.4
57.03431	3.9
57.04550	0.5
57.07065	1.7
58.06593	0.6
59.04993	0.9
59.06110	1.4
60.04530	0.6
64.98129	0.5
65.03928	6.2
67.02977	0.7
67.05494	67.2
68.05013	0.9
68.05827	1.4
68.88759	0.6
68.99787	0.6
69.03423	8.8
69.04560	0.5
69.05414	0.5
69.07053	6.3
69.96163	2.2
70.95851	19.0
71.01340	0.6
71.04984	10.6
71.06118	1.3
71.94112	0.6
72.04503	1.4
72.08145	0.8
72.93777	67.4
73.02895	0.6
73.06467	0.6
73.93809	1.1
76.75244	0.4
79.05480	6.9
81.03400	5.9
81.04536	1.3
81.07043	44.5
82.05332	0.5
82.06575	0.7
82.07366	1.2
83.04969	5.6
83.06084	1.1
83.08616	0.8
84.04487	1.1
85.02889	1.1
85.06539	4.4
85.46355	0.4
86.06037	0.5
88.39674	0.4
88.96887	6.3
90.94814	20.2
91.05455	1.8
93.03385	1.2
93.07029	3.8
95.04958	10.8
95.06026	0.7
95.08590	13.6
96.04482	0.8
96.05590	1.8
97.02857	0.5
97.04015	1.1
97.06508	5.1
97.07637	1.3
98.06075	0.6
98.07162	2.0
98.98455	1.6
99.04445	10.2
99.05489	0.5
99.08080	5.1
106.97950	0.8
107.08574	2.7
108.95835	4.5
109.02870	9.6
109.06519	4.4
109.10137	100.0
110.02383	1.4
110.06030	2.0
110.07144	2.1
110.09763	0.7
110.10442	2.4
111.04424	8.1
111.05563	1.1
111.08048	1.9
111.09161	0.8
111.97798	0.7
111.98466	6.9
112.01543	0.8
112.08694	1.5
113.05984	6.0
113.07128	0.8
113.08243	0.7
113.09637	0.5
113.96384	25.0
114.06647	2.8
114.10320	0.8
118.49349	0.5
119.01955	0.5
119.08574	2.1
120.05563	0.8
123.04402	1.7
125.02368	0.7
126.53659	0.5
127.03900	7.5
127.07578	2.3
128.07092	0.6
128.24709	0.5
129.99472	4.9
130.00356	0.8
131.96147	3.1
131.97417	25.0
132.95815	17.4
137.02315	1.5
137.05983	2.7
137.08131	0.5
137.08395	0.5
137.09593	8.1
138.05516	0.8
138.06581	2.2
138.10027	0.6
140.04651	3.2
146.29886	0.4
149.97209	7.6
150.96861	50.7
154.99002	2.4
155.03371	6.5
155.07031	8.5
155.08195	1.2
155.09209	2.0
155.10625	3.5
155.12883	1.4
155.97408	2.1
156.06497	0.9
156.07681	1.3
156.10167	1.3
167.98145	0.7
168.97910	1.9
173.98508	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	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03939	1.1
53.27240	0.4
55.01863	1.0
55.05507	9.9
57.03440	3.6
57.07064	2.2
59.04993	1.0
59.06105	0.5
65.03928	3.0
67.05496	66.6
68.05820	1.2
68.99781	0.6
69.03423	6.5
69.04552	0.8
69.07056	7.2
69.96189	0.5
70.67921	0.5
70.68253	1.1
70.95854	7.8
71.04987	10.6
71.06096	0.5
72.04531	0.5
72.08129	0.6
72.93780	38.1
73.06560	0.5
73.93839	0.5
74.06102	0.5
79.05479	8.1
81.03410	2.7
81.04549	0.4
81.07047	47.3
82.07370	0.9
83.04964	2.6
83.06091	0.5
83.08623	0.8
84.04510	0.6
85.06521	3.8
88.96896	2.1
90.94819	8.2
91.05473	1.3
93.03362	0.6
93.07036	2.6
94.83537	0.5
95.04956	7.6
95.06071	0.8
95.08595	13.0
96.05602	0.6
97.04036	0.6
97.06508	4.3
98.98460	0.6
99.04439	9.2
99.08089	5.6
107.08592	3.6
108.95847	1.4
109.02840	3.5
109.06519	2.9
109.10141	100.0
110.02422	0.5
110.06036	0.5
110.07172	1.1
110.10460	3.3
111.04434	3.2
111.08039	0.9
111.98479	3.3
112.01532	0.7
113.05981	3.9
113.07135	0.6
113.08199	0.7
113.96382	14.8
114.06636	0.9
119.08603	1.2
123.04391	1.0
127.03895	4.1
127.07503	1.0
129.99475	1.7
131.96306	0.9
131.97424	13.7
132.95813	8.6
137.02299	0.6
137.05972	0.8
137.09595	8.5
138.06523	0.8
149.36497	0.5
149.97168	1.8
150.96867	19.3
154.98981	0.8
155.03372	2.7
155.07042	5.4
155.09264	1.1
155.10640	2.4
155.12917	0.7
155.97350	1.1
173.98441	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	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03932	2.0
53.47574	0.7
55.01863	2.0
55.05503	13.0
55.93509	2.4
57.03431	4.3
57.04545	1.1
57.07069	2.4
59.04994	1.1
59.06112	1.7
60.04525	0.9
65.03941	6.3
67.05493	56.2
68.05009	1.2
68.05839	1.7
69.03419	11.7
69.04544	1.5
69.07059	6.8
69.52713	5.0
69.96179	0.8
70.06570	0.7
70.95855	19.2
71.01315	0.7
71.04980	15.2
71.06090	1.1
72.04517	1.2
72.08150	0.9
72.93777	100.0
73.02907	1.4
73.93839	1.2
79.05486	7.9
81.03407	5.5
81.04525	0.8
81.07043	37.0
82.06552	1.0
83.04967	8.5
84.04507	1.5
85.02872	1.4
85.06517	5.3
88.96899	6.6
89.02369	0.8
90.94812	29.4
91.05486	2.1
93.03409	1.4
93.07018	3.6
93.28639	0.7
95.04949	7.9
95.06073	1.3
95.08593	14.0
96.05621	2.4
97.02915	0.7
97.03998	1.6
97.06518	8.6
98.07165	2.4
98.98467	2.1
99.04437	12.1
99.05576	1.4
99.08072	4.9
107.08604	2.3
108.95855	6.5
109.02856	9.3
109.06509	11.2
109.10139	72.9
110.02412	2.3
110.06011	2.1
110.07173	1.4
110.10493	2.3
111.04424	12.5
111.08083	1.7
111.98453	8.4
112.01540	1.0
112.04739	0.8
112.08700	1.7
113.05984	6.4
113.07139	1.1
113.08234	1.1
113.96386	42.4
114.06665	2.7
114.35351	0.7
114.94853	0.7
119.08555	1.0
123.04420	2.0
127.03898	10.7
127.04777	0.8
127.07506	4.5
129.99464	4.7
131.96355	1.6
131.97414	40.7
132.95810	17.6
132.97488	0.9
137.02348	2.2
137.03416	0.8
137.05971	3.8
137.09595	6.8
138.05515	1.9
138.06639	2.2
141.06921	1.1
149.97206	4.7
149.98413	1.4
150.96860	47.3
153.01099	0.8
154.99033	3.7
155.03372	6.8
155.07024	15.6
155.08321	2.0
155.09441	1.0
155.10632	2.2
155.12909	2.6
155.58382	0.7
155.97382	3.3
156.06596	1.7
156.07750	1.6
156.09227	1.1
168.97945	1.7
173.98445	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	156.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33765	0.2
52.01712	0.2
55.01867	1.8
55.05500	0.8
55.93512	1.1
56.05020	1.2
56.94293	0.3
56.96556	5.4
57.03424	1.4
58.06582	0.9
58.99849	1.1
59.99914	0.3
60.00637	0.3
60.95848	0.6
60.99607	0.3
61.02896	0.4
65.03938	0.7
67.05490	2.0
68.05019	1.1
69.03419	1.0
69.07039	0.3
70.06583	1.4
70.95854	11.9
70.99841	0.3
71.04987	0.3
71.52428	0.3
72.04486	0.2
72.08141	0.3
72.30801	0.3
72.93774	10.0
73.02903	1.1
73.93832	0.3
74.00243	0.3
74.06108	0.3
75.69865	0.3
77.00903	0.6
78.00999	0.4
78.52948	1.0
79.05477	1.7
80.04996	0.3
81.03409	0.8
81.04537	0.3
81.05811	0.8
81.07061	0.4
82.01441	1.0
82.05308	1.2
82.06567	2.8
82.99847	0.9
83.00739	0.5
83.04993	1.2
83.06087	5.4
83.99897	0.3
84.01540	0.7
84.04481	0.9
84.08086	0.4
85.02890	0.6
86.06067	0.4
87.52452	0.2
87.53436	0.3
88.96883	3.1
89.00848	0.3
90.94804	3.2
91.05473	1.3
92.01307	0.6
92.04990	0.4
92.52640	0.3
93.02025	0.3
93.04510	3.1
93.07023	2.4
94.06553	12.6
95.01321	0.7
95.01884	0.3
95.04954	1.3
95.06078	3.6
95.07375	0.4
95.08611	0.7
96.01519	0.3
96.04478	1.0
96.08128	1.9
97.02881	0.6
97.06498	0.5
97.07608	0.4
97.99174	0.5
98.06003	0.2
98.07138	0.5
98.97557	1.0
99.04462	0.4
100.02470	4.3
100.07534	0.3
101.00861	16.2
101.02531	1.2
101.53220	0.4
102.00953	1.1
102.01598	0.5
102.02241	0.6
102.96935	0.2
103.00620	0.4
103.02371	1.3
103.05450	1.1
104.96349	0.3
105.02067	0.4
106.97916	0.4
108.08115	1.5
108.95865	0.5
109.02840	0.5
109.05249	0.7
109.08871	0.3
110.02377	0.8
110.03163	0.3
110.06061	4.5
110.07147	44.6
110.09651	4.7
111.02038	0.5
111.03072	0.3
111.04422	1.0
111.05531	0.8
111.09181	0.3
111.98446	4.0
112.07552	0.5
113.00799	0.3
113.96384	1.2
114.00964	1.1
114.03986	0.5
114.94775	0.4
115.00597	0.8
115.02426	1.0
115.08657	0.4
116.00233	0.3
116.98602	0.9
117.02089	0.3
118.03513	2.3
119.01900	100.0
120.01954	6.3
120.03242	0.4
120.08087	10.1
121.01620	0.9
121.02413	0.4
121.03458	0.9
121.06487	4.6
121.08398	0.3
124.02438	2.3
124.05090	0.3
126.05556	0.3
127.03873	0.4
127.06268	1.2
128.98550	0.4
129.99486	2.4
130.06232	0.4
131.00148	0.5
131.01869	2.9
131.96188	0.4
131.97427	0.7
132.01988	8.9
132.05048	2.3
132.95807	12.4
132.97874	0.4
133.01608	5.1
133.02477	0.5
133.03438	6.5
133.05087	0.5
134.03532	0.5
136.07611	0.4
137.02933	40.4
138.03000	2.4
138.05463	1.4
138.08105	0.5
138.09122	9.0
138.10188	0.4
139.03925	0.3
139.09428	0.3
142.03471	40.4
142.15833	0.2
143.03574	1.9
145.03416	0.7
146.99654	0.4
149.01172	0.9
149.02913	1.0
149.97095	0.5
150.03006	2.8
150.06056	0.8
150.96855	27.8
151.02612	1.7
151.04486	2.6
151.06242	0.3
151.96967	0.6
153.01082	0.4
155.97339	1.4
156.01973	0.7
156.03102	0.5
156.04117	0.6
156.05096	0.8
156.06528	1.1
156.07668	3.3
156.10175	12.1
156.11272	0.6
157.01477	0.3
157.03410	1.0
160.04527	15.5
161.02963	0.3
161.04700	1.0
162.06218	0.3
165.05019	2.0
167.02237	0.6
168.97920	1.1
173.98480	2.0
174.03067	1.5
174.06100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99794	0.5
54.03456	0.6
55.01865	9.3
55.05508	1.4
56.05022	1.7
56.05839	0.5
56.96559	15.3
57.03428	2.7
58.06584	2.1
58.99853	0.6
61.02903	1.2
65.03925	2.4
67.05496	3.8
68.05015	1.7
68.99763	0.7
69.03421	3.2
69.04552	0.9
69.07034	0.9
69.96173	0.5
70.02941	0.7
70.06581	2.7
70.39961	1.6
70.95856	12.0
71.01329	0.5
71.04978	0.6
72.08163	0.9
72.93781	10.7
73.02900	2.1
77.00902	0.8
78.52954	0.8
79.05479	4.0
80.04993	1.6
81.03399	0.9
81.04553	1.1
81.05788	1.3
82.01433	1.1
82.05302	1.8
82.06563	5.8
82.99810	1.4
83.00768	1.6
83.01270	0.5
83.04997	3.0
83.06091	8.3
84.01538	0.7
84.04497	2.3
84.08118	0.9
84.99239	0.7
85.02895	2.0
86.06051	0.6
86.51791	0.7
88.96887	3.3
89.00838	0.7
90.94820	2.4
91.05464	2.5
92.01283	1.8
92.05016	0.8
92.52680	1.0
93.04514	4.9
93.07043	5.4
94.06554	29.5
94.51556	0.8
95.01321	0.9
95.04987	2.7
95.06089	4.9
95.06645	0.7
95.07370	1.1
95.08600	1.5
96.04493	1.6
96.08120	4.1
97.02879	1.2
97.06520	0.8
97.99193	1.2
98.97588	2.8
100.02494	4.3
101.00862	17.1
101.02474	0.8
101.53280	0.7
102.00960	1.6
103.00511	0.9
103.02435	1.8
103.05444	2.8
103.52066	1.5
108.08103	2.2
108.43146	0.5
109.05244	2.6
109.08957	0.8
110.02403	2.0
110.06054	9.3
110.07151	65.2
110.09663	11.5
111.00825	0.9
111.04432	2.4
111.05544	2.1
111.07472	1.4
111.98465	4.3
112.04772	0.8
112.07561	0.7
113.02345	1.4
113.96386	1.3
114.00974	1.0
114.03985	0.6
115.02406	1.8
116.00195	0.9
116.98608	1.6
118.03492	2.5
119.01907	100.0
120.01989	5.8
120.03268	0.7
120.08092	26.9
121.01649	1.2
121.06501	10.7
121.08382	0.8
124.02468	2.2
127.06293	2.8
128.07043	1.2
128.98535	0.9
129.01863	0.7
129.99490	2.4
131.00137	0.6
131.01869	2.6
131.97441	1.0
132.01976	7.4
132.05035	2.3
132.95815	13.4
133.01660	4.8
133.03444	7.8
133.05148	0.8
134.99687	1.2
136.07552	1.1
137.02940	38.3
138.03043	3.0
138.05481	2.8
138.09122	25.2
139.03891	0.7
139.09482	1.0
142.03476	39.9
142.96504	0.7
143.03650	3.3
149.01199	1.2
150.03044	1.7
150.06073	1.5
150.96858	29.2
151.02713	1.7
151.04494	2.8
151.06160	0.6
153.01041	0.8
155.97418	1.0
156.02046	0.8
156.03275	0.8
156.05080	1.0
156.06526	1.9
156.07661	5.0
156.10181	28.4
156.15010	0.6
157.01436	0.8
157.03528	1.3
157.04906	1.8
160.04527	15.2
161.04681	1.2
165.05083	2.1
168.97955	1.1
173.98479	2.5
174.03099	1.5
174.06105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1018
Annotation	Retronecine
Peak:m/z	Relative Intensity
53.03876	1.8
55.01789	31.0
55.02088	4.8
55.05428	5.3
55.74448	0.7
55.93442	2.7
56.04967	1.9
56.96479	19.7
56.96791	2.9
57.03355	3.2
58.06521	2.7
61.02853	2.0
65.03853	7.9
65.04224	1.7
66.15616	0.7
67.04190	1.5
67.05416	17.0
67.05810	1.8
68.04937	3.5
68.06136	0.6
68.95167	0.7
68.99721	1.5
69.03341	4.4
69.06973	2.9
69.96062	1.4
70.06503	4.9
70.22784	1.2
70.23171	1.3
70.95777	38.1
70.96207	3.1
71.01294	1.3
71.04922	1.4
71.94038	0.9
71.95202	1.2
71.95833	0.7
72.04425	0.8
72.93703	28.5
72.94136	2.0
73.02829	3.0
74.93764	1.1
74.97529	1.8
75.27998	0.8
77.00796	0.8
77.03794	0.8
79.05479	9.7
80.04925	3.0
80.05758	1.1
81.03335	3.0
81.04449	1.0
81.05778	4.4
81.07002	1.1
82.04131	0.8
82.05273	1.1
82.06568	20.2
82.07277	1.4
83.00724	1.8
83.01251	2.1
83.04972	17.4
83.06078	6.7
83.06837	0.9
84.01481	1.3
84.04422	3.4
84.05270	1.0
84.08064	1.6
84.99213	1.8
85.02813	3.2
88.96891	11.2
89.00742	1.3
90.94820	8.3
91.05461	6.9
92.01245	1.3
92.04923	2.8
92.52643	0.8
93.03394	7.6
93.04493	4.1
93.07031	15.9
94.06554	71.3
94.07139	2.3
94.07381	2.0
94.51509	1.0
95.01247	1.0
95.04955	10.9
95.06066	4.9
95.06746	1.3
95.07322	1.6
95.08528	3.1
96.04416	2.9
96.05117	0.6
96.08125	13.7
97.02819	2.7
97.06448	1.9
97.99129	1.3
98.06018	0.8
98.97566	3.8
100.02441	1.5
100.07546	1.0
101.00863	6.5
103.00459	0.8
103.02299	2.2
103.05436	5.7
104.01150	0.9
105.01969	1.0
106.00957	1.5
106.97879	1.6
108.07536	0.7
108.08098	7.2
108.95787	1.5
109.02863	1.7
109.05258	8.5
109.06399	1.0
109.08817	2.4
109.31812	0.8
110.02325	2.7
110.03028	1.0
110.05971	36.4
110.07092	59.6
110.09662	44.8
111.00738	1.8
111.01982	1.3
111.04424	17.6
111.05532	1.6
111.07416	1.0
111.98459	15.8
112.03893	1.1
112.04705	1.9
112.07531	1.9
113.02268	2.1
113.05998	0.8
113.96325	3.2
114.05505	1.4
116.00168	0.9
116.98582	3.1
118.03507	1.3
119.01903	38.8
120.01978	3.7
120.04411	1.8
120.08087	63.6
121.01531	0.9
121.02821	1.5
121.06487	27.6
121.08373	1.8
127.06275	4.4
127.13644	0.7
128.07024	2.1
128.10686	0.9
128.98537	0.9
129.98659	1.0
129.99504	10.4
131.01891	1.6
131.96028	0.9
131.97404	0.9
132.01965	3.3
132.05017	2.5
132.95807	37.9
133.01622	4.3
133.03421	5.1
133.95993	0.8
136.07555	5.1
137.01953	1.4
137.02934	18.8
138.02963	1.3
138.05524	5.5
138.09119	87.2
139.03902	5.2
139.07507	1.0
139.09444	3.4
142.02400	1.3
142.03473	19.2
143.03616	0.9
146.99619	1.3
149.97179	2.3
150.02985	0.9
150.06140	1.4
150.96857	100.0
151.02692	0.9
151.04480	2.4
151.97069	2.9
152.97321	0.9
153.01047	1.2
155.97414	4.8
156.05193	1.3
156.06522	7.5
156.07626	4.3
156.10175	79.3
157.01340	5.4
157.03511	0.9
157.04919	3.0
157.10544	1.8
160.04541	6.9
160.97536	1.8
161.01256	0.8
168.97929	4.4
173.98433	9.0
174.03137	0.8
174.06171	1.2
174.98518	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	157.0494
Annotation	Deoxypatulinic acid
Peak:m/z	Relative Intensity
53.03930	2.1
55.01866	100.0
55.05504	16.2
56.02195	1.8
56.05029	1.5
56.05832	1.0
56.96558	55.0
57.03424	7.4
57.07053	0.9
57.93549	3.6
58.06585	1.3
60.95875	1.1
61.02904	3.6
65.03928	12.8
66.00525	0.9
67.05496	26.2
67.51051	1.6
68.05009	2.2
68.05828	2.4
68.99770	3.0
69.03419	11.3
69.07048	2.1
70.02994	0.8
70.06584	11.3
70.95854	2.2
71.01330	3.0
71.05000	1.7
71.21192	1.8
71.95254	2.7
72.93774	3.6
73.02909	6.1
73.49698	0.8
73.93829	1.6
74.00255	0.9
74.93818	1.9
74.97598	1.2
75.01025	1.5
75.94595	2.5
76.51552	1.1
79.05489	2.6
80.05059	1.0
81.03400	1.8
81.07040	1.4
82.06555	3.3
83.00774	4.9
83.01322	6.2
83.04969	46.9
83.06079	1.5
83.06886	1.4
84.01581	1.5
84.04510	1.7
84.05335	1.4
84.08128	1.7
84.96030	1.8
84.99252	4.0
85.02894	4.3
86.09702	1.0
87.00775	1.1
89.00774	1.2
90.94836	1.2
91.05457	1.0
92.01289	3.9
92.94862	1.0
93.03393	8.0
93.06998	1.8
93.95620	1.4
94.01811	0.9
94.06570	4.8
94.07358	1.9
94.51574	0.8
95.01287	1.7
95.04955	15.0
95.06313	1.1
95.06860	5.7
95.08577	1.0
95.52312	1.2
96.04500	1.0
96.08121	1.1
97.02874	7.6
97.06510	2.5
97.99186	3.8
98.01286	1.5
98.06030	2.8
98.97574	28.9
100.02484	1.2
101.00853	2.0
101.02420	1.8
103.00543	1.6
103.02309	1.4
103.52074	3.0
106.01008	2.0
109.08424	0.9
110.06028	3.6
111.00838	4.5
111.04429	32.6
111.05595	2.2
111.06363	2.7
111.07464	5.2
111.09985	3.3
112.04768	1.9
112.07583	6.4
112.98461	0.9
113.02371	4.1
113.06019	1.1
114.05537	1.7
114.09146	0.9
115.00644	0.9
115.01536	1.1
115.02377	1.3
115.08727	1.1
115.96471	0.9
116.00221	2.6
116.07072	1.8
116.97235	16.9
116.98592	28.0
116.99433	1.6
117.02026	1.2
118.03449	1.0
119.01895	8.8
120.01991	7.4
120.03278	1.1
121.01656	3.7
121.02850	2.8
121.08418	7.1
122.02386	1.0
122.06042	1.4
122.06842	2.7
122.09645	2.5
128.02275	1.5
128.98593	2.8
129.01834	2.4
129.05440	1.2
129.06999	1.8
131.01904	1.4
132.95808	1.3
133.01643	3.8
133.03477	4.5
133.96017	2.0
133.97287	0.8
134.00473	1.6
134.02962	1.6
134.99637	26.6
136.04616	0.9
136.27209	1.0
137.02922	2.4
138.03043	3.4
139.02773	1.9
139.03885	12.1
139.07628	1.0
139.08638	1.1
139.09473	9.6
140.00215	1.4
140.07054	2.2
140.10677	5.1
142.07785	2.4
142.96495	2.1
143.03618	3.6
144.03194	1.6
146.99628	2.7
148.96182	1.8
150.96956	4.3
151.04500	1.3
151.96951	4.5
152.96889	5.5
153.00687	4.7
156.97592	1.0
157.01318	10.6
157.03658	1.1
157.04959	5.1
157.10608	7.0
157.13393	1.0
158.01262	1.3
158.08183	1.9
158.09624	5.9
158.11743	7.3
158.15417	1.3
160.97577	2.6
161.01157	1.1
161.04613	1.7
169.01744	1.4
170.97987	1.2
174.98573	2.7
175.02554	1.5
175.04491	1.5
175.98552	1.3
177.00735	1.0
178.98599	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	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09470	0.2
53.03933	0.2
65.03925	0.5
67.05154	0.4
67.05489	2.7
68.05841	0.2
69.03421	0.3
70.06611	0.2
71.53707	0.2
72.04485	0.2
76.93359	0.8
79.05483	0.6
82.01229	0.1
91.04881	0.3
91.05463	6.0
93.07002	0.2
94.94380	0.4
95.04977	0.2
97.73761	0.2
100.15087	0.2
103.05448	0.7
105.07014	29.8
106.07334	0.9
113.02351	0.6
114.05522	0.2
115.05429	2.6
116.06257	1.1
117.06998	18.8
117.95958	0.8
118.07326	0.7
119.08562	10.2
120.08890	0.3
124.98619	0.2
128.06192	1.3
129.06987	12.9
130.07776	7.4
131.08545	39.3
132.08022	0.3
132.08897	1.8
135.96976	0.6
141.01802	1.9
141.06953	0.3
142.07765	2.1
143.08548	1.5
144.09320	27.6
145.06441	0.3
145.09612	1.3
157.10109	5.7
158.10487	0.4
159.11661	100.0
160.07553	0.2
160.12009	5.1
161.09560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
59.72425	0.6
65.29276	0.5
67.05489	1.9
71.08180	1.4
75.75975	0.5
76.12204	0.6
86.68666	0.6
91.05464	5.3
105.07018	29.3
105.40363	0.5
107.62090	0.6
114.19174	0.7
115.05433	2.4
117.07003	17.7
118.07373	0.7
119.08559	9.4
120.08959	0.6
128.06210	1.3
129.06982	12.4
130.07788	6.9
131.08554	38.6
132.08873	2.0
142.07755	2.6
143.08533	1.6
144.09322	24.8
145.09660	0.7
157.10124	6.1
159.11668	100.0
160.11990	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03932	0.8
53.55746	0.4
54.03250	0.4
54.13471	0.4
56.96548	0.6
64.81357	0.4
66.74956	0.4
67.05495	2.4
70.06545	0.5
70.82375	0.7
70.82738	1.1
76.93360	2.5
87.36117	0.5
91.05472	12.9
94.94398	0.7
98.97580	0.5
103.05458	1.4
105.07022	14.5
110.51788	0.4
113.02341	1.0
115.05433	4.4
116.06223	4.5
116.98635	0.9
117.07014	9.7
117.95966	1.7
119.04943	0.7
119.08566	15.4
128.06210	1.8
129.06995	20.3
130.07816	3.4
131.04976	0.7
131.08560	30.2
132.08011	0.5
132.08916	1.0
135.96948	1.0
139.63380	0.4
141.01828	3.3
141.06966	3.7
142.07727	1.3
143.08525	3.1
144.05678	5.8
144.09332	37.0
145.06422	1.3
145.09694	1.6
151.63585	0.4
154.71515	0.5
157.10114	4.6
159.08057	23.0
159.11671	100.0
160.08514	1.4
160.12019	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	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.47587	0.4
55.01849	0.6
55.35268	0.4
56.05017	0.4
56.08685	0.4
56.96539	1.2
57.03420	0.5
59.06092	0.6
62.52070	0.3
67.05485	2.2
70.06573	1.2
71.04955	0.5
71.06893	0.6
71.54127	0.6
72.04494	0.5
72.08118	0.7
75.05590	0.4
76.93350	3.1
79.05478	0.8
81.07034	0.6
85.02877	0.8
85.07607	0.3
91.05464	12.5
92.05800	0.8
94.94394	1.4
95.04937	0.5
95.89053	0.3
98.97572	1.9
99.05577	0.4
103.05465	1.8
105.07010	12.6
112.95413	0.4
113.02345	2.2
113.07084	0.5
114.05517	0.4
115.05428	4.4
116.06226	4.3
116.98595	2.5
117.05770	0.5
117.07017	10.0
117.95962	2.8
118.06493	0.9
118.07301	0.5
118.96748	0.6
119.08556	13.5
120.08931	0.5
128.06201	2.1
129.06979	18.0
130.07817	3.9
131.04924	1.0
131.08543	29.8
132.08034	1.1
132.08904	0.8
134.99619	1.8
135.96996	2.9
141.01794	6.6
141.06946	3.4
142.02179	0.4
142.07719	1.4
143.08594	2.4
144.05688	4.9
144.09323	33.7
145.06406	1.3
145.09648	0.9
157.10126	3.7
159.08041	22.9
159.11659	100.0
160.05035	0.4
160.07385	2.4
160.08604	1.2
160.11996	5.4
169.07637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90496	0.2
56.05023	0.3
56.96557	0.5
57.03425	0.2
58.99857	0.4
59.06114	1.3
59.93104	1.2
60.00670	0.3
60.04523	0.5
71.51566	0.2
72.04525	0.4
72.08142	0.2
74.06065	0.2
75.05621	0.2
76.80317	0.2
76.93370	0.2
77.00916	0.2
77.94136	0.5
82.01447	0.4
82.99818	0.9
83.06095	0.3
84.04491	0.2
85.02905	0.2
85.07664	0.3
86.06062	0.2
95.61603	0.2
95.95194	0.4
97.02888	0.2
98.97554	0.2
99.05592	0.2
100.02480	1.7
101.00867	15.4
101.07124	0.5
101.95042	0.3
102.00962	0.4
102.05512	0.5
103.00603	0.5
105.07034	0.5
116.98605	0.3
117.06580	0.3
118.01703	0.5
118.03511	7.7
118.06534	0.5
118.96745	3.6
119.01908	100.0
119.96075	0.2
120.02004	2.1
120.03194	0.9
121.01618	2.0
121.02318	0.3
121.06359	0.2
124.02419	2.2
133.06464	0.3
133.10072	0.2
134.02986	0.2
134.07135	0.3
134.99615	0.3
136.02763	3.0
136.04539	7.5
137.02945	45.5
137.97118	0.3
138.03056	0.8
138.04276	0.5
139.02567	0.8
141.05080	0.3
142.03481	37.1
143.03691	1.9
143.08153	0.4
150.95721	0.3
154.03777	0.6
154.59155	0.3
154.96448	1.5
159.06140	0.3
160.04541	40.2
161.02902	1.5
161.04549	1.8
161.09532	0.3
165.05104	1.6
172.97543	0.3
177.00902	0.3
177.98116	0.2
178.05588	16.2
179.03983	3.4
179.05556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0755
Annotation	2721-59-7
Peak:m/z	Relative Intensity
56.93084	0.2
67.04240	1.6
70.92940	0.5
77.19628	0.2
79.05447	0.2
79.81896	0.2
86.21915	0.2
91.05459	0.5
103.05453	0.2
105.07024	3.9
107.04929	0.3
115.05443	12.9
116.04957	0.3
116.05758	0.4
117.05750	6.9
117.07011	0.6
118.06538	0.5
130.06499	1.0
131.04892	0.8
131.07249	0.6
132.08078	16.1
133.05215	0.6
133.06465	3.7
133.08392	0.4
142.06502	3.1
143.07283	1.8
143.56171	0.3
145.05202	0.2
145.57193	0.2
146.05988	0.3
159.06775	3.1
160.07558	100.0
161.05991	0.2
161.06409	0.2
161.07895	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	160.0756
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
54.50814	0.1
55.01873	0.2
55.05502	0.5
57.04542	0.1
60.08129	0.1
65.03944	0.2
67.04240	1.4
69.07059	0.2
70.06586	0.3
71.01645	0.2
71.01962	0.2
72.08152	0.1
79.05492	0.7
87.04461	0.3
91.05463	1.0
94.04160	0.2
96.08134	1.4
101.00882	0.4
103.05479	0.3
104.07087	0.2
105.07021	3.9
106.07304	0.2
107.04934	0.3
114.09188	0.9
115.05445	14.6
116.04952	0.3
116.05791	0.5
117.05750	8.5
117.06934	0.6
118.06591	0.7
119.01906	1.9
120.04488	0.2
125.07141	0.1
130.06502	1.1
131.04900	0.6
131.07269	0.6
132.08078	17.8
133.05234	0.8
133.06476	3.7
133.08397	0.4
134.05992	0.2
137.02931	0.5
140.04878	0.3
142.03503	0.4
142.06505	3.4
142.08655	0.2
143.04971	0.2
143.06134	0.2
143.07277	1.9
145.05157	0.3
146.05995	0.3
147.04984	0.2
159.06773	3.5
160.07562	100.0
161.07918	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	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
56.05016	0.1
56.96553	0.1
58.99828	0.1
59.06099	0.2
60.00620	0.2
70.20441	0.2
70.20853	0.3
72.78790	0.1
75.69284	0.1
78.93073	0.2
82.99816	1.0
83.08463	0.1
85.02850	0.2
91.05457	0.1
97.02844	0.1
98.97568	0.1
100.02464	0.2
101.00860	14.8
101.95015	0.4
102.00935	1.7
102.02129	0.1
102.96812	0.2
103.00601	0.3
105.07001	0.5
116.98574	0.2
117.05112	0.2
118.03481	0.8
119.01899	100.0
119.96012	0.2
120.01986	8.5
120.97890	0.2
121.01624	1.5
121.02340	0.2
121.06374	0.1
124.02475	0.3
125.02574	0.1
130.03447	0.1
133.03421	0.3
133.10133	0.2
134.07063	0.2
136.04523	0.4
137.02933	45.1
138.03046	3.5
138.04224	0.2
139.02661	0.4
142.03470	3.6
142.04588	0.2
143.03673	2.7
144.03183	1.1
149.10527	0.1
151.04573	0.1
156.00874	0.2
157.03439	0.3
160.04530	1.2
161.02930	3.0
161.04640	3.4
161.08269	0.1
161.09581	0.3
161.13293	0.1
162.03026	0.2
162.04240	1.3
166.05237	0.1
179.03990	5.2
179.05547	1.4
180.04039	0.3
180.05386	0.4
184.04543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03938	1.6
55.01866	2.0
55.05493	1.0
59.04959	0.4
60.04509	0.3
66.04728	0.5
67.05492	0.5
69.03416	0.7
69.07049	0.8
71.52819	0.5
77.03926	0.6
79.05058	0.5
79.05487	6.9
79.05933	0.3
81.07036	1.0
89.03907	0.6
90.04694	2.0
91.05463	7.0
93.04508	0.6
93.07024	1.1
95.04966	2.2
103.05457	7.1
104.06254	0.7
105.03396	0.7
105.04519	0.7
105.07020	32.2
106.06578	0.5
106.07365	1.0
107.04937	1.5
107.08603	0.5
113.02340	0.5
115.05441	6.1
116.06257	0.4
117.07005	1.3
118.04147	21.6
118.52631	0.4
119.04935	1.1
119.08567	11.3
120.05581	0.8
121.06459	3.2
121.10126	1.0
128.06219	2.5
129.06989	0.9
131.04915	10.4
131.08516	2.1
132.05663	1.2
133.06477	7.5
133.10115	9.0
134.03627	0.4
134.06039	0.7
134.07101	1.6
143.04994	0.4
143.06085	1.0
143.08551	2.7
145.06470	1.1
146.03616	12.1
146.07256	4.1
147.04317	0.4
147.70555	0.3
159.08083	0.4
161.05963	100.0
161.09578	25.1
161.13240	8.6
162.06438	4.0
162.10037	0.6
166.47543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02367	0.3
53.03931	0.7
55.01873	1.4
55.05488	1.1
64.61495	0.4
67.05473	0.4
67.53099	0.3
69.03403	0.6
69.07074	0.9
71.56435	0.6
72.81269	0.3
77.37116	0.3
79.05482	5.0
81.07047	0.6
88.93351	0.3
89.03918	0.9
90.04697	1.7
91.05473	5.6
91.49596	0.3
93.04517	0.6
93.07036	0.8
95.04951	1.9
97.02847	0.4
102.04617	0.3
103.05460	4.8
104.06255	0.6
105.07021	21.9
106.07361	0.4
107.04940	1.0
107.08588	0.5
115.05442	2.5
116.06218	0.5
117.07013	1.4
118.04148	21.2
119.05006	0.6
119.08567	7.3
120.05576	0.7
121.06461	2.9
128.06218	2.2
129.06941	0.7
131.04913	9.4
131.08571	1.7
132.05673	1.1
133.06474	4.3
133.10114	7.3
134.06004	0.8
134.07065	1.0
143.08571	2.2
145.06442	1.4
146.03612	9.6
146.07257	4.2
146.10939	0.4
159.11658	0.6
161.05962	100.0
161.09586	25.1
161.13231	6.4
162.06404	3.5
162.09940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70497	0.4
53.03934	0.6
55.01852	0.9
55.05501	1.2
67.05485	1.5
69.03076	0.6
69.03419	7.4
69.87462	1.5
69.87898	1.5
73.81474	0.5
74.06056	0.7
77.03949	0.5
79.05491	3.0
79.98288	0.5
81.07046	1.3
86.34938	0.4
91.05460	9.6
93.07025	4.3
95.04942	1.0
95.08582	0.8
101.44160	0.5
103.05436	2.0
105.03362	0.6
105.07017	48.1
106.07353	1.6
107.04930	1.6
113.02327	0.6
115.05428	3.3
117.07029	2.6
119.04921	0.7
119.08571	12.0
121.06483	15.4
128.06215	6.9
131.04929	2.4
131.08533	2.2
132.05661	2.0
133.06488	4.4
133.10112	26.4
134.06009	1.1
134.10425	0.7
141.06992	0.5
143.08546	10.3
145.06464	3.3
146.07245	28.0
147.07629	1.1
159.07988	1.6
160.58961	0.5
161.06033	4.1
161.09596	100.0
161.13214	9.8
162.05457	2.6
162.07794	0.5
162.10068	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09481	0.3
53.03934	1.0
55.01862	2.8
55.05495	1.8
56.05818	0.4
57.55978	0.5
61.54629	0.4
67.05489	0.9
69.03420	13.5
71.14274	0.9
71.14639	0.6
79.05479	3.1
81.03383	0.7
81.07025	0.5
85.92782	0.4
91.05467	11.7
93.07020	3.2
95.04921	1.1
102.04710	0.4
103.05460	2.1
105.07014	45.7
106.07343	1.5
107.04933	1.9
115.05463	3.0
117.06998	2.3
118.04134	1.0
118.07822	0.6
119.04929	3.1
119.08564	7.9
121.06475	6.5
126.20387	0.5
128.06200	11.1
129.06508	0.4
131.04947	2.4
131.08551	3.3
132.05687	1.1
133.06480	4.3
133.10112	21.7
134.10455	0.8
137.05962	0.7
143.08536	15.2
144.08943	0.7
145.06462	7.7
146.03600	0.9
146.07253	14.5
155.06013	0.8
159.08003	1.3
161.06009	4.3
161.09592	100.0
161.13165	3.1
162.09927	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03937	0.7
55.01863	0.7
55.05508	1.3
59.43596	0.2
65.03918	0.3
66.28744	0.2
67.05496	0.7
69.03414	0.6
69.07057	1.4
69.31364	0.2
69.92627	1.0
69.93038	0.4
74.06072	0.3
78.93113	0.4
79.05483	3.5
81.07043	2.7
85.02901	0.3
90.04685	0.2
91.05470	9.1
92.05786	0.3
93.04533	0.4
93.07041	1.8
93.70609	0.2
95.04964	0.6
95.08575	0.3
95.91273	0.2
99.37827	0.3
101.95017	0.3
103.05450	2.6
104.06241	0.5
105.03392	0.5
105.07016	37.5
106.06645	0.4
106.07359	1.3
107.04906	0.3
107.06063	0.5
107.08573	0.5
113.02344	0.4
113.31118	0.2
115.05433	1.7
117.07001	2.8
118.04147	1.5
119.08564	100.0
119.95913	0.2
120.05581	0.8
120.08106	0.4
120.08879	2.8
121.06425	1.4
121.10131	0.5
122.03882	0.3
128.06172	1.1
131.04906	0.4
131.08517	1.3
132.05649	0.3
133.02866	0.5
133.06477	3.3
133.10107	12.4
134.03596	0.2
134.05992	0.6
134.07056	0.9
134.10487	0.5
137.96791	0.4
143.04863	0.4
143.08537	1.4
145.06425	0.4
145.10097	0.4
146.03635	1.5
146.07227	1.2
146.10840	0.6
159.11676	0.9
161.05956	5.7
161.08174	0.9
161.09587	8.2
161.13239	16.8
162.05484	2.1
162.06599	0.4
162.09029	0.6
162.13593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.67130	0.7
52.98757	0.6
53.03937	1.2
55.05507	7.2
61.64906	0.7
67.05497	3.6
69.07061	6.2
72.65423	0.6
74.66469	0.8
76.98315	0.7
79.05482	7.4
81.07047	27.5
82.03136	0.7
91.05475	17.4
92.05769	0.9
93.07037	10.9
95.04961	1.4
95.08594	2.2
98.21527	1.4
103.05470	2.1
105.07021	100.0
106.07359	2.4
107.08611	3.3
115.05430	1.1
117.07015	5.7
119.08567	79.4
120.08910	2.1
131.08510	4.2
132.09366	1.3
133.06467	0.9
133.10118	29.1
140.81320	0.7
143.08563	0.8
143.15721	0.7
145.10156	1.2
146.07251	0.9
146.10747	2.1
159.11694	2.8
161.05957	1.9
161.09628	5.6
161.13245	74.6
162.05467	1.3
162.13589	3.0
165.73883	0.7
179.03412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05504	3.7
57.53791	0.4
59.12142	0.4
59.67134	0.4
67.05486	1.9
69.07063	4.4
69.43776	2.6
69.44188	1.1
79.05472	5.8
81.07041	15.6
91.05466	16.4
93.07034	7.2
95.04979	0.8
95.08588	1.3
99.19992	0.4
103.05447	2.3
105.07014	63.5
106.06659	0.6
106.07352	2.0
107.08573	1.5
113.02369	0.6
115.05437	1.3
115.56886	0.4
116.07011	0.4
117.07021	4.7
119.08562	100.0
119.63043	0.5
120.08829	2.7
121.06499	1.1
121.10136	0.9
128.06213	1.1
131.08534	4.3
132.09331	0.7
133.06476	1.7
133.10109	25.3
134.05995	0.8
134.10428	0.6
134.30891	0.4
138.53540	0.4
143.08601	0.8
144.09291	0.5
145.10059	1.3
146.03609	0.5
146.07228	1.7
146.10481	2.2
149.51581	0.4
159.11667	1.9
159.46092	0.5
161.05914	2.5
161.09589	9.7
161.13232	48.9
162.05481	2.2
162.09035	0.5
162.13522	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02366	0.6
53.03928	1.3
55.01858	1.2
55.05252	0.7
55.05507	10.7
58.06553	0.6
65.03931	0.7
67.05497	1.6
69.03416	1.1
69.07060	9.8
69.07400	1.0
71.13457	1.5
79.05478	7.0
81.07049	5.9
85.02861	0.8
89.54871	0.6
91.05466	16.5
93.04509	0.8
93.07037	4.9
95.04957	0.9
95.08607	1.1
97.02895	0.9
98.08128	0.5
103.05434	3.7
104.06255	0.6
105.03428	1.3
105.07018	60.6
106.07358	1.7
107.06018	0.9
107.08574	3.6
113.02343	0.5
115.05409	2.7
116.06266	0.6
117.07018	6.2
118.04143	3.1
118.07777	0.8
119.08565	100.0
120.06543	0.8
120.08136	0.6
120.08906	2.2
121.06427	3.4
121.10134	4.3
128.06210	2.5
130.07770	0.6
131.04924	1.9
131.08556	11.0
132.05656	0.5
132.09378	0.8
133.02751	0.7
133.06499	4.2
133.10110	55.7
133.70605	0.6
134.05983	1.5
134.07109	2.4
134.10498	1.6
143.08604	2.7
144.08054	1.0
144.09219	0.6
145.06445	0.8
145.10103	1.4
146.03607	1.8
146.07227	4.5
146.10886	4.6
159.11649	4.1
161.05963	11.4
161.08165	1.9
161.09586	21.2
161.13235	74.1
162.05379	3.3
162.10054	0.7
162.13606	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.98
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.0
57.03424	1.1
58.99852	2.0
60.95848	1.3
61.02918	1.2
69.03415	2.0
70.48618	3.6
77.00902	1.7
84.04498	1.6
85.02890	1.9
90.14764	0.9
98.06052	1.4
98.97576	1.3
100.02464	1.8
101.00887	4.4
102.00928	9.9
102.02387	1.1
102.52333	1.4
102.96862	3.3
103.00637	4.9
107.84196	0.8
109.02826	1.1
114.20853	0.8
115.02396	1.5
118.03539	1.2
119.01914	27.6
120.01995	96.2
120.97881	3.9
121.01654	40.8
125.00999	1.0
126.51551	1.3
128.99178	4.5
129.49153	1.4
129.99059	1.1
131.01891	3.9
131.53934	1.0
133.00806	1.0
133.03551	1.7
133.51680	1.6
134.01517	2.3
134.03586	0.9
134.99719	1.1
137.02945	11.6
137.04532	1.0
137.99658	5.5
138.03043	53.4
138.49716	1.3
138.51552	1.0
138.96408	4.6
138.98932	4.0
139.02666	20.4
139.03624	1.6
140.99196	1.4
142.03467	1.6
143.01891	0.9
143.03598	4.8
144.02066	1.9
144.03194	12.4
145.03513	1.2
147.96896	1.2
149.03020	1.3
149.99614	4.8
155.99692	1.8
156.49738	1.0
156.97464	71.5
157.02184	1.5
157.03456	19.8
157.97572	2.6
161.04622	2.2
162.03075	9.2
162.04306	8.4
162.07469	0.9
163.02655	1.4
163.03931	2.6
165.97995	1.5
174.98524	100.0
175.04491	7.3
175.98572	4.1
178.01056	1.1
179.99059	26.4
180.03926	5.0
180.05367	2.5
181.03726	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	162.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03931	2.3
55.01854	3.3
55.05500	3.3
56.04771	0.9
56.05030	13.9
56.96559	19.2
57.03432	11.0
58.06583	1.4
59.04987	1.6
59.06101	0.8
60.04506	3.8
60.95838	4.9
61.02916	3.7
63.02355	2.0
65.03925	1.9
67.05496	5.4
68.05019	1.6
69.03418	11.3
69.07040	1.0
70.03733	2.1
70.06579	3.9
71.01334	1.4
71.04976	3.6
71.14159	0.8
71.15089	1.1
71.15437	1.0
72.04492	1.6
73.02905	5.1
73.06538	1.2
74.02419	3.2
74.06069	58.6
77.00839	0.9
79.05482	15.2
81.03399	5.9
81.07048	5.0
82.02932	0.8
82.06582	0.8
83.00756	1.5
83.01295	1.3
83.04964	1.2
83.08595	3.3
84.04491	28.8
84.08131	23.4
84.09832	0.7
84.96008	1.3
85.02898	13.4
85.04798	0.9
85.06531	8.8
85.08422	0.7
86.03214	1.4
86.06057	1.9
86.09677	1.6
87.04459	0.9
88.03987	4.2
88.07611	1.0
89.03903	65.4
90.05504	0.8
91.05463	2.4
94.06528	0.8
95.01327	0.7
95.04958	5.2
95.99723	0.8
96.01524	1.2
96.04475	1.2
97.02269	1.3
97.02878	12.6
98.03168	3.6
98.06034	6.8
98.09680	9.5
98.97575	6.4
99.03850	0.8
99.04428	3.4
99.08086	12.3
100.07622	1.0
101.00874	2.5
102.00919	3.7
102.05527	26.8
102.09159	2.5
102.96851	5.9
103.00623	2.6
103.03918	3.3
103.05455	0.8
105.02116	1.2
105.04472	0.9
106.01044	0.8
106.06537	6.2
106.07182	1.0
107.04263	1.3
107.04937	16.0
108.05585	0.7
109.02862	1.8
110.03165	0.9
110.54052	1.1
111.02910	0.8
111.52998	0.8
112.03991	1.0
112.99111	0.9
115.03889	1.0
116.04934	1.0
116.07077	15.8
116.10707	6.8
116.98595	3.9
117.03361	54.4
118.06516	0.9
119.00156	0.8
119.01879	8.0
120.01993	23.9
120.03224	1.0
120.06561	45.3
120.97868	6.9
121.01652	15.3
121.02336	0.7
121.05116	1.4
122.05903	0.8
124.02773	1.2
126.05471	1.4
126.09134	2.3
127.03891	2.6
127.07514	2.1
128.02388	1.0
128.98566	1.9
129.02234	1.4
129.03929	1.0
130.04147	0.8
130.04987	4.0
131.00180	1.6
131.03531	0.9
132.08060	1.0
133.01768	0.9
133.03445	2.5
134.03622	4.4
134.05997	24.1
134.99620	2.2
135.04390	100.0
135.06535	2.3
137.02907	2.3
138.03038	11.1
138.98921	5.4
139.02664	5.9
143.03621	1.2
144.02199	1.1
144.03267	2.8
144.04437	3.1
144.06512	3.7
144.10185	4.2
145.01796	1.3
145.02817	38.7
145.04984	1.9
145.09724	0.9
146.03558	0.9
146.99615	1.5
147.03259	3.6
147.04997	1.8
148.03639	1.2
148.05107	2.9
149.01180	1.9
149.04782	2.8
152.04710	1.0
153.04231	1.2
156.96271	0.9
156.97563	1.1
156.99969	1.0
157.03465	4.3
158.06238	0.7
158.99681	0.9
159.03287	1.4
160.03609	0.9
160.05222	1.5
161.04753	2.9
161.54678	0.8
162.03215	2.4
162.04419	2.7
162.05484	60.1
162.07538	8.3
162.09128	2.9
162.11253	2.6
163.03883	75.1
163.06076	2.5
163.11093	1.1
173.01289	0.7
174.98557	1.9
175.04501	1.8
177.00703	1.2
177.04294	1.5
178.04747	0.9
178.06216	1.9
179.05815	1.3
181.03690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01585	0.4
51.02373	0.8
53.03947	3.1
55.01862	1.1
55.05507	1.1
58.22180	0.4
58.25679	0.3
63.02348	2.3
65.03912	0.6
67.05496	1.0
68.99763	0.5
69.03420	4.9
69.07077	0.4
69.86066	0.7
69.86366	2.5
71.04977	0.6
77.03920	1.6
79.05485	11.8
81.07043	2.7
89.03907	62.8
90.04234	1.6
91.05474	5.5
91.24618	0.4
93.07034	18.3
93.07626	0.9
95.04950	5.4
95.06064	0.6
95.08595	1.1
102.04635	0.4
103.05455	76.5
104.05785	1.9
105.03375	0.8
105.04494	1.9
105.07014	5.7
107.04942	15.4
107.08578	11.2
108.08968	0.5
109.06535	0.5
115.05462	1.3
117.03365	47.6
117.06998	2.4
118.03698	1.3
119.04900	0.6
119.08584	2.1
120.05632	0.7
121.02872	0.4
121.06553	1.9
121.10123	2.8
122.07145	1.0
122.59286	0.4
123.07882	0.5
128.06274	0.4
130.06499	0.9
130.07771	1.2
131.04913	100.0
132.05240	2.6
133.02829	2.6
135.04399	90.3
135.07927	2.5
135.11670	4.1
136.04739	2.3
136.08636	0.7
143.08482	0.5
145.02834	36.7
145.03873	1.6
145.10107	10.3
146.03226	1.9
158.06027	0.9
163.03888	79.3
163.07520	42.0
163.09824	1.6
163.11151	27.0
163.14787	2.0
164.04268	2.2
164.07918	0.7
164.11543	0.6
166.35030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.24509	0.5
53.00296	0.7
53.03949	1.4
54.58904	0.5
63.02374	2.2
69.76154	0.5
69.76846	2.5
77.03916	0.6
79.05485	10.6
89.03904	70.5
90.04232	1.8
90.46815	0.5
95.04940	3.5
98.20744	1.0
105.04488	0.8
107.04932	13.3
117.03362	56.5
118.03715	1.5
135.04393	100.0
136.04735	2.1
145.02827	45.6
145.03851	2.1
146.03146	1.1
161.01248	0.5
162.29539	0.5
163.03880	77.7
164.04214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
53.03938	2.4
63.02360	2.2
63.26995	0.5
65.03935	0.8
68.06784	0.5
69.89003	0.5
71.15334	0.7
77.03923	0.8
79.05488	9.8
89.03911	73.2
90.04250	1.4
95.04955	3.1
103.23515	0.4
105.04488	0.6
107.04944	12.6
107.97997	0.4
117.03368	54.2
118.03676	0.8
122.03596	1.0
129.00893	0.6
132.02090	3.0
135.04407	86.6
136.04745	1.7
145.02832	37.7
146.03214	1.4
150.03096	1.4
163.03891	100.0
164.04257	3.2
175.21991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02377	0.6
53.03939	2.8
55.01861	1.3
55.05486	0.5
55.21550	0.4
55.76690	0.4
62.03728	0.5
63.02377	1.1
64.90429	0.5
65.03917	0.7
67.05495	0.9
68.99776	0.6
69.03418	1.2
69.07053	1.2
70.62283	1.5
77.03924	0.7
78.00895	0.4
79.05486	12.9
80.05799	0.5
81.03413	0.7
81.04539	1.0
81.07040	1.5
82.05307	0.5
85.02904	0.4
89.03905	45.0
90.04234	0.9
91.05472	5.7
92.02579	0.7
92.06273	0.4
93.03396	0.5
93.07037	4.1
95.04958	6.2
95.06069	0.9
95.08593	1.0
102.04585	0.7
103.05457	83.8
104.05775	2.5
105.04485	1.7
105.07023	4.7
107.04939	21.0
107.08582	8.1
108.05557	0.6
109.06515	0.5
109.07637	0.5
115.05456	2.2
117.03365	33.0
117.07019	2.7
118.03651	0.9
119.04890	1.0
119.08575	1.5
120.05654	1.2
121.06482	2.4
121.10122	2.8
122.07137	1.3
123.07961	1.0
130.07799	1.1
131.04912	100.0
132.05231	3.5
133.02827	3.9
135.04401	63.7
135.08023	6.3
135.11649	1.6
136.04712	3.2
136.07571	0.9
136.08633	1.2
143.08635	0.5
145.02837	23.5
145.03876	1.1
145.06491	0.8
145.10078	4.1
146.03197	1.4
146.07126	0.5
148.05083	0.7
163.03891	62.0
163.07526	43.6
163.09767	2.9
163.11162	10.7
163.14809	1.6
164.04326	2.4
164.07895	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	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02390	0.4
53.03941	0.5
57.96194	0.2
64.06072	0.2
69.43629	2.3
77.03922	0.4
79.05488	0.5
88.13170	0.3
89.03910	0.6
91.05470	0.6
93.07026	0.5
95.04955	1.0
96.34538	0.2
102.04657	0.4
103.05458	81.6
104.05788	2.7
105.04504	0.3
105.07000	0.3
106.51025	0.2
107.04945	1.4
107.08569	0.8
117.03362	0.4
117.07059	0.3
121.06551	0.2
131.04915	100.0
132.05232	3.9
135.04417	1.2
135.08022	0.9
145.02826	0.4
148.05130	0.3
163.03941	2.0
163.07527	43.7
163.11179	0.8
164.07901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02376	1.0
51.76653	0.5
53.03942	3.7
54.10787	0.5
55.01871	3.6
55.05493	1.4
56.96556	2.0
57.03438	0.7
57.07064	0.5
65.03936	4.2
67.05498	4.1
68.99781	6.5
69.03417	6.4
69.07046	1.8
70.51270	0.5
71.01334	0.6
71.52792	0.6
71.53195	0.6
77.03932	0.8
79.05485	32.0
80.05815	0.8
81.03409	0.9
81.07054	3.9
82.07452	0.5
83.01327	0.6
83.04952	0.6
89.03901	5.6
90.04282	0.4
91.05470	53.3
92.02581	0.8
92.05766	1.2
92.06274	1.4
93.03405	1.1
93.07036	15.4
93.07626	1.0
95.04958	8.8
95.06081	0.5
95.08599	3.7
100.02470	0.7
103.05453	9.7
104.06277	0.9
105.03379	1.3
105.04512	2.2
105.07019	17.5
106.07328	0.6
107.04948	6.5
107.08581	71.3
108.08910	2.1
109.06505	7.7
114.29823	0.5
115.04745	0.4
115.05440	13.2
117.03364	5.0
117.07005	20.3
117.07841	1.0
118.07339	1.2
119.04927	2.9
119.06091	3.1
119.08568	9.2
120.05717	6.4
120.08835	0.7
121.06490	17.8
121.10112	4.3
122.07149	1.0
123.08001	1.5
131.04904	9.2
132.05254	0.5
132.08177	0.6
133.02847	6.1
135.04410	13.3
135.08037	100.0
135.11551	2.4
135.91455	0.5
136.04726	0.9
136.08389	5.1
145.02843	3.0
145.03854	0.7
145.06477	7.5
145.10153	2.7
148.05190	6.3
163.03893	31.1
163.07524	35.6
163.09792	1.6
163.11130	8.6
163.14806	3.2
164.04248	1.6
164.06863	0.8
164.08052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02364	1.0
53.03943	8.3
54.03458	1.1
55.01861	8.1
55.05503	11.4
57.03410	1.5
57.07045	1.1
61.51131	1.0
62.01556	1.0
63.02364	2.6
65.03926	2.6
67.05485	4.0
68.05003	1.3
69.03418	13.3
69.07066	8.8
71.04966	6.5
71.53349	1.1
71.53695	1.4
77.03914	2.5
79.05482	39.9
80.05004	1.0
80.05807	1.5
81.03386	1.5
81.04562	1.1
81.07044	24.4
82.05309	1.0
83.04968	3.6
89.03905	56.9
90.04233	2.3
91.05467	35.0
91.05956	0.7
92.02587	1.8
93.03398	1.3
93.07030	77.6
94.07315	1.1
95.04959	17.4
95.06060	1.4
95.08581	5.2
95.41405	1.1
95.98967	0.9
96.06875	1.2
100.02450	1.5
103.05447	33.8
105.03378	1.7
105.04517	4.6
105.07013	67.6
106.07332	1.1
107.04200	1.1
107.04939	22.9
107.08576	79.6
108.05506	1.2
108.08875	2.4
109.06517	6.1
109.07596	1.2
115.05442	4.4
117.03359	44.5
117.07006	15.0
118.03637	1.4
119.04935	2.0
119.06047	1.9
119.07782	1.7
119.08564	22.5
120.05619	2.5
121.06487	17.7
121.10128	25.2
122.07144	4.4
122.10422	1.2
123.07983	2.4
129.06976	1.3
130.07747	6.7
131.04910	32.3
132.05229	1.5
133.02818	6.6
133.06453	1.6
133.10123	1.0
135.04395	97.3
135.08029	14.4
135.11667	22.4
136.04753	4.6
136.07567	1.3
136.08633	3.0
143.08525	3.3
145.02821	31.9
145.03885	1.8
145.06445	2.2
145.10103	41.7
146.10455	1.5
148.08783	1.9
154.57062	1.0
163.03880	100.0
163.07527	19.4
163.09795	6.5
163.11142	87.2
163.14816	6.7
164.04347	5.9
164.06941	1.2
164.11508	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.59021	0.8
53.03943	6.3
54.03461	1.1
55.01870	1.7
55.05498	3.3
57.03437	1.0
63.02351	1.3
64.24526	0.7
67.05493	1.9
68.05014	1.5
69.03423	8.2
69.07056	2.1
71.04971	1.7
77.03907	1.4
78.04708	0.7
79.05486	17.9
79.05939	0.9
80.05001	1.0
80.46867	0.8
81.03411	1.6
81.04544	1.8
81.07060	7.7
83.04981	1.2
83.06125	0.9
85.02895	1.2
89.03912	34.3
90.04241	1.4
91.05471	14.8
92.02660	1.6
93.07034	31.2
95.04961	17.6
95.06061	2.3
95.08601	2.3
96.80199	0.9
97.07603	0.9
103.05460	16.5
105.03379	3.3
105.04484	3.9
105.07024	13.4
107.04267	1.2
107.04954	15.8
107.06054	1.8
107.08589	24.4
108.05570	2.0
108.08167	0.9
108.08895	0.8
109.06517	1.6
109.07662	1.7
115.05457	2.5
117.03372	27.6
117.07026	8.8
118.03577	1.2
119.04894	1.5
119.06024	0.9
119.08580	6.1
121.06505	5.5
121.10139	11.9
122.05965	0.9
122.07144	5.0
123.07967	2.6
129.06995	1.5
130.07794	5.7
131.04918	22.3
132.08096	1.5
133.02853	13.0
133.06487	1.0
133.10085	1.0
135.04407	65.4
135.08029	5.8
135.11694	8.5
136.04726	2.8
136.07605	1.8
136.08669	2.8
143.08524	1.6
145.02844	20.1
145.03938	2.1
145.06505	2.7
145.10117	22.9
163.03894	100.0
163.07539	11.1
163.09813	8.2
163.11148	61.8
163.14815	2.4
164.04358	4.3
164.07088	2.2
164.11513	2.3
169.63167	1.0
182.79884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03936	7.2
55.01865	10.3
55.05511	6.4
57.03432	1.2
57.07071	1.0
63.02355	2.0
63.60884	0.9
65.03934	1.1
67.05493	4.8
69.03426	10.6
69.07047	3.9
70.92352	2.4
71.04993	5.2
79.05485	29.1
79.05941	1.6
81.03404	1.3
81.04534	1.1
81.07043	10.2
82.01453	0.9
83.04954	2.5
83.08576	0.9
89.03908	46.0
90.04238	1.2
91.05467	22.7
92.02601	2.0
93.03419	0.9
93.07030	60.0
94.07348	1.4
95.04952	15.4
95.06028	1.2
95.08576	3.8
97.07632	1.2
100.02439	1.1
103.05456	21.0
105.03379	2.1
105.04495	3.3
105.07018	26.4
107.04944	17.4
107.06064	1.1
107.08582	46.0
109.06468	4.0
115.05423	1.7
117.03369	36.0
117.04227	1.7
117.07002	8.6
118.03623	2.4
119.04929	2.5
119.06014	0.8
119.08571	18.9
121.02843	3.6
121.06483	11.6
121.10128	22.9
122.07105	2.1
123.07973	1.8
128.06273	0.9
130.06845	0.9
130.07776	6.9
131.04916	22.7
131.53006	0.9
133.02861	9.8
133.06471	2.3
134.07236	0.9
135.04401	73.7
135.08000	9.2
135.11691	11.6
136.04721	2.9
136.07607	2.0
136.08664	1.8
142.53250	0.9
143.08563	2.2
145.02838	27.2
145.03889	1.4
145.06454	1.6
145.10103	37.7
146.07181	0.9
147.08060	1.4
148.08807	1.4
153.99841	0.9
163.03888	100.0
163.07504	13.0
163.09857	4.3
163.11157	97.2
163.14760	5.8
164.04280	2.7
164.07039	3.0
164.11526	3.0
171.45509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
53.03936	6.8
55.01860	13.8
55.05511	5.5
57.03399	1.2
63.02363	0.9
65.03924	2.4
67.05488	4.7
69.03420	7.9
69.07053	3.2
71.00755	1.8
71.01099	0.8
71.04988	4.5
77.03918	1.6
79.05482	27.9
81.03412	1.1
81.07044	12.2
83.04968	1.5
83.08618	1.1
85.02898	0.9
89.03905	31.9
90.04208	0.9
91.05466	20.2
92.02613	1.0
93.07030	52.7
94.07336	1.8
95.04957	13.8
95.06075	1.8
95.08607	4.0
100.02452	1.4
103.05452	18.1
105.03391	2.7
105.04482	4.2
105.07017	26.5
107.04935	16.7
107.06038	1.3
107.08581	42.5
108.05610	1.1
109.06519	4.1
115.05402	2.3
117.03366	26.9
117.07001	9.4
118.03723	0.8
119.04871	1.9
119.06038	1.5
119.08566	25.1
120.05550	1.3
121.06494	11.4
121.09295	1.7
121.10127	24.2
122.07183	4.1
123.08033	0.9
127.07460	1.1
128.06183	1.2
129.07024	1.4
130.07785	6.7
131.04913	15.9
133.02846	8.3
133.06448	2.0
134.07256	1.1
135.04399	61.8
135.08026	8.0
135.11670	12.3
136.04749	2.1
136.08630	1.1
143.08511	1.9
145.02824	20.7
145.03929	1.3
145.06458	2.3
145.10101	37.7
148.08813	2.5
163.03886	79.2
163.07524	9.2
163.09894	3.8
163.11153	100.0
163.14807	3.0
164.04214	2.9
164.07057	2.8
164.11501	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03932	3.8
55.01863	1.2
55.05507	2.4
57.03429	0.5
65.03930	0.6
67.05492	1.7
67.28687	0.5
69.03419	17.2
69.03809	0.8
69.07056	1.7
70.66511	0.4
71.04986	1.5
77.03904	0.8
79.05483	9.1
81.03403	0.6
81.07041	4.5
86.99413	0.5
89.03905	6.1
91.04890	0.7
91.05466	14.2
93.07030	67.6
94.07363	1.4
95.04955	5.6
101.20888	0.5
101.73502	0.4
102.18621	0.4
103.05447	7.5
105.03352	0.6
105.04494	1.5
105.07020	13.4
107.04955	3.1
107.08580	22.9
109.06519	0.7
113.89415	0.5
115.05364	0.8
117.03358	5.1
117.06998	4.5
119.08566	5.7
121.06491	4.5
121.10103	4.5
122.07159	0.5
123.07971	0.5
129.06996	1.1
130.07776	3.6
131.04897	7.4
131.05803	0.7
133.02841	2.9
133.10168	0.6
135.04396	13.0
135.08054	2.4
135.11670	10.8
143.08542	1.6
145.02827	4.3
145.03874	0.8
145.10095	33.0
146.10477	0.8
147.08031	0.6
148.08807	1.4
161.09702	0.6
163.03886	20.7
163.07578	3.1
163.11154	100.0
163.14847	1.5
164.04321	0.6
164.11481	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03939	3.4
55.01858	1.0
55.05502	2.4
57.03423	0.6
64.76388	0.5
65.03943	0.6
67.05487	1.7
69.03056	0.8
69.03424	14.8
69.07056	0.9
70.04005	2.4
71.04977	1.4
77.03908	1.3
79.05481	8.3
79.39532	0.4
80.05013	0.5
81.03352	0.5
81.07040	3.8
89.03905	6.8
91.05466	12.8
92.05836	0.5
93.07034	61.6
94.07350	1.7
95.04955	5.4
95.06088	0.5
95.08568	1.2
98.20767	0.6
100.02445	0.5
103.05459	7.4
105.03358	0.9
105.04505	1.3
105.07017	11.6
107.04944	4.4
107.08581	25.2
108.08899	0.5
109.06512	0.5
115.05421	0.7
117.03365	5.3
117.07018	4.0
119.04945	0.7
119.08569	6.7
121.06491	4.8
121.10128	4.6
122.07133	0.6
128.06256	0.5
129.07062	0.4
130.07750	3.8
131.04912	7.8
131.36908	0.5
133.02815	2.7
133.06468	0.7
134.07294	0.5
135.04402	13.6
135.08061	2.6
135.11679	10.5
136.04736	0.6
143.08543	1.2
145.02838	3.8
145.10103	33.1
146.10431	1.0
148.08817	1.6
163.03893	20.1
163.07547	3.9
163.11163	100.0
164.04242	0.9
164.07019	0.6
164.11525	4.0
166.08040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	1.7
53.03942	9.9
55.01854	1.4
55.05505	7.5
57.07060	2.3
65.03924	1.2
67.05500	7.8
67.19224	0.7
69.06712	1.0
69.07057	11.8
69.56371	2.0
69.56802	3.3
77.03900	1.4
79.05482	31.0
80.05814	0.8
81.03410	1.1
81.07048	42.3
82.07366	0.8
83.08607	6.7
89.03903	2.8
91.05464	11.3
92.02608	4.4
93.07029	33.1
94.07345	1.4
95.04956	18.8
95.08596	22.7
96.08892	1.0
98.21481	1.0
100.02430	1.2
103.05441	1.8
105.03387	6.3
105.04492	5.2
105.07008	6.2
107.04932	6.8
107.08580	81.0
108.08903	3.2
109.06496	1.6
109.10130	1.2
113.96370	0.9
115.05477	0.7
115.30179	0.7
117.03373	2.7
117.06986	1.8
119.04948	0.7
119.06013	0.8
119.08556	2.7
121.06472	2.1
121.10130	23.7
122.10497	0.8
131.04904	2.5
133.02837	28.8
134.03165	1.3
135.04405	31.2
135.08064	1.9
135.11679	9.7
136.04729	2.1
138.03059	1.2
145.02881	1.7
145.03969	1.2
145.06438	1.1
145.10074	3.1
163.03885	100.0
163.07539	2.1
163.11183	7.8
163.14801	42.5
164.04315	6.0
164.07054	2.1
164.15141	2.3
166.03250	0.7
181.24585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	0.8
53.03938	7.8
55.01853	0.9
55.05503	3.1
57.07052	1.8
65.03920	0.8
65.17636	0.4
67.05479	2.7
67.06095	0.4
69.07063	8.1
71.53989	0.6
71.54412	0.5
77.03912	1.6
79.05482	19.6
80.05823	0.8
81.03371	1.3
81.07047	21.1
82.05727	0.7
82.07375	0.7
83.08613	3.8
89.03931	2.9
91.05469	7.0
92.02601	3.7
93.07032	23.1
93.48459	0.5
94.07339	0.6
95.04955	16.2
95.08593	12.2
96.05273	1.0
100.02460	1.3
103.05451	1.6
105.03394	5.4
105.04494	4.1
105.07020	4.4
106.06551	0.8
107.04952	5.5
107.08578	48.3
108.08903	1.6
109.06467	1.6
109.10139	0.8
115.05486	0.7
117.03355	1.2
117.06990	1.0
118.03530	0.9
118.06554	0.7
119.04893	0.6
119.08567	1.7
121.06499	1.2
121.10123	15.0
131.04871	1.2
132.08075	0.7
133.01808	1.1
133.02834	28.5
134.03172	2.1
135.04398	32.0
135.08003	1.7
135.11676	6.0
136.04720	1.2
138.03084	1.0
145.02838	1.5
145.06479	1.2
145.10097	1.7
149.69257	0.5
163.03883	100.0
163.07487	2.6
163.11157	4.9
163.14792	25.3
164.04317	5.9
164.07060	1.7
164.15141	1.6
165.08578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.98013	0.5
53.03942	2.4
54.03469	0.5
55.01864	1.4
55.05505	11.2
57.07066	5.0
58.55059	0.5
62.17848	0.4
65.03930	1.2
67.05499	2.7
68.05016	0.7
69.03424	2.5
69.07060	34.5
71.08611	0.8
71.13988	0.9
77.03917	0.9
78.22149	0.5
79.05483	17.6
81.03445	0.4
81.04511	0.7
81.07045	5.0
83.08606	14.0
84.08936	0.5
89.03907	8.3
91.05470	15.2
92.02641	0.5
92.06288	0.5
93.07031	35.7
94.07372	0.6
95.04958	4.4
95.06091	1.2
95.08605	6.4
96.94813	0.5
102.53688	0.5
103.05453	19.0
105.03389	1.1
105.04509	1.9
105.07015	19.5
106.07886	0.6
107.04954	5.8
107.08581	88.2
108.08801	1.2
108.09367	3.2
109.06510	2.5
109.10163	3.8
117.03366	5.6
117.07020	1.8
118.03672	0.6
119.06068	1.5
119.08568	9.2
120.05640	1.0
121.06512	2.3
121.10129	100.0
121.30993	0.6
122.07125	1.5
122.10427	2.4
123.08031	3.6
130.07758	1.4
131.04912	20.4
132.05232	1.1
133.02840	4.4
133.07619	0.6
133.10081	1.2
134.03185	0.5
134.10887	1.4
135.04399	14.7
135.08035	3.1
135.11679	23.6
135.12709	1.1
136.04761	0.7
136.07608	0.6
136.08676	0.7
136.12013	1.0
137.09654	0.6
145.02829	4.8
145.06496	0.6
145.10107	6.1
163.03888	28.2
163.07532	12.4
163.09775	2.0
163.11140	13.1
163.12543	1.0
163.14801	28.8
164.04329	1.1
164.06955	0.9
164.15157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.8
58.99848	0.3
59.05706	0.2
59.60142	0.2
65.01192	0.2
67.74782	0.3
68.83900	0.3
69.03419	0.3
69.76421	0.6
69.76833	1.0
69.79881	0.2
70.99818	0.4
73.02879	0.3
73.85290	0.2
82.01459	0.3
82.99809	1.2
91.05471	0.3
95.04952	1.6
96.54027	0.2
97.02882	0.4
98.20738	0.3
100.02481	1.6
101.00866	24.5
102.00965	0.8
113.00862	0.2
115.02388	0.4
118.03503	0.5
119.01906	100.0
120.02003	3.6
121.02361	0.4
123.04415	1.8
124.02415	4.1
131.61516	0.3
133.03450	0.7
137.02939	29.9
138.03018	1.1
142.03482	59.3
143.03575	2.2
147.04390	0.4
151.76790	0.3
157.03494	0.3
160.04539	18.7
161.02945	0.4
161.04689	0.9
165.05096	1.9
183.06119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00650	0.3
63.09349	0.3
69.34776	3.6
72.48919	0.4
79.69534	0.3
80.09476	0.4
80.16970	0.4
82.01471	0.5
82.99847	1.3
85.87151	0.4
88.89538	0.4
98.20741	0.9
100.02470	0.8
101.00868	26.2
102.00963	0.7
116.65089	0.4
118.03538	0.4
119.01906	100.0
120.01971	2.8
124.02420	3.9
137.02937	29.4
138.03102	1.1
142.03484	49.7
143.03598	2.6
160.04536	14.9
160.05893	0.7
161.04607	0.5
165.05080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02370	0.3
53.03935	2.5
55.01869	0.8
55.05496	0.4
56.96555	5.7
57.03426	0.6
58.67104	0.3
58.99844	0.3
61.02932	0.4
65.03933	1.2
65.92632	0.5
67.01855	0.3
67.05492	1.6
69.03429	0.8
70.06589	0.6
71.05005	0.4
71.31145	0.5
71.31493	0.4
71.95260	0.6
74.02419	0.3
77.03918	1.0
79.05490	0.7
80.94937	0.9
81.03418	0.8
81.04529	0.3
81.07058	1.4
82.06543	0.4
82.99834	0.7
83.05004	0.3
83.06066	0.3
85.02880	0.3
91.05467	20.9
92.05782	0.4
93.07010	1.7
94.06553	0.4
95.04954	71.9
95.08604	0.5
96.05271	1.3
97.99230	0.3
98.97567	0.6
99.04460	0.4
100.02463	1.0
101.00862	13.5
102.00965	0.6
103.05458	4.9
103.45832	0.3
105.04496	1.2
107.04938	0.8
109.06509	3.9
109.10146	0.4
115.02432	0.8
117.88177	0.3
118.03506	0.7
119.01904	67.4
119.04921	53.3
119.08517	0.4
120.01964	2.4
120.05293	1.1
120.08095	0.6
121.06490	2.2
121.97578	0.7
122.06034	0.3
123.04408	100.0
124.02429	2.5
124.04736	2.0
124.93822	0.4
127.03838	0.3
131.01845	0.4
133.03378	0.4
137.02939	23.5
137.05913	2.9
137.06935	0.4
137.09581	0.5
138.03050	1.0
142.03476	39.6
142.94925	0.4
142.96397	0.3
143.00085	0.5
143.03610	1.7
147.04382	18.3
148.04820	0.4
148.06239	0.4
153.04076	0.3
156.04991	0.3
157.01738	0.3
160.04530	15.1
160.95987	0.5
160.97491	0.4
161.02954	0.8
161.04669	1.0
165.01794	0.5
165.05424	3.8
165.09077	0.6
165.11354	0.4
166.04915	0.3
166.07176	0.8
166.08595	0.7
173.01192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01868	0.3
55.05503	1.0
56.05027	0.3
57.07055	0.3
59.06102	0.4
63.70776	0.2
65.03929	2.2
66.97674	0.2
67.05495	7.4
68.05023	0.4
69.03416	0.9
69.07055	0.7
69.58546	0.2
69.76614	1.1
70.06593	0.3
79.05483	1.5
80.05009	0.2
81.03420	0.7
81.04533	0.3
81.07041	3.2
83.04990	0.5
83.06083	0.6
91.05469	35.1
92.05792	0.8
93.03413	0.2
93.07037	1.5
95.04960	4.5
95.06080	0.2
95.08598	3.0
97.06501	0.3
101.00883	0.7
103.05426	0.4
105.07013	1.5
107.04936	0.3
107.06068	0.7
107.08576	1.6
109.02886	0.4
109.06502	1.3
109.07622	0.4
109.10140	6.2
110.07196	0.2
110.55453	0.2
111.04425	0.5
117.06975	0.3
119.01925	3.3
119.04927	61.9
119.08565	2.7
120.05216	1.4
120.08098	0.5
121.07632	0.3
121.10138	1.2
122.07172	0.7
123.04417	2.3
123.08061	1.8
123.11703	0.9
124.08701	0.7
125.09489	0.4
133.02782	0.4
133.06459	0.5
137.03020	1.1
137.05977	1.0
137.09595	10.2
137.13179	0.3
138.10089	0.2
142.03505	1.7
147.04388	100.0
147.11696	0.7
148.04738	2.7
148.08673	0.5
160.04550	0.7
165.01868	0.4
165.04256	0.3
165.05510	2.2
165.07721	0.4
165.09082	2.3
165.11337	1.0
165.12753	1.9
166.08583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02369	0.2
55.05499	0.3
65.03922	1.4
67.05499	1.4
69.59701	0.4
69.60100	1.1
70.06606	0.2
79.05477	0.4
81.07045	0.7
91.05467	27.6
92.05806	0.8
93.07024	0.4
95.04951	2.0
95.08597	0.5
103.05450	0.3
105.06996	0.2
107.04900	0.2
107.08588	0.3
109.06497	0.4
109.10143	1.5
119.04924	55.3
119.08571	0.6
120.05254	1.6
122.07116	0.3
123.04413	1.6
123.08071	0.2
124.08667	0.2
137.05914	0.4
137.09601	1.9
142.03476	0.3
147.04385	100.0
148.04720	2.8
148.08594	0.3
165.05447	1.1
165.07719	0.2
165.09084	0.5
165.11334	0.5
165.12640	0.3
168.21092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	0.2
54.85633	0.1
55.05504	0.2
65.03927	1.4
67.05502	0.9
67.58548	0.1
71.12028	0.3
79.05483	0.3
81.07043	0.5
83.05009	0.2
91.05474	25.1
92.05790	0.7
93.07057	0.2
95.04968	1.7
95.08603	0.2
97.01425	0.1
101.00874	0.2
103.05481	0.4
105.07011	0.2
107.04951	0.2
107.08586	0.3
109.06528	0.3
109.10155	1.1
119.02041	0.8
119.04932	52.0
119.08551	0.9
120.05243	1.2
121.06508	0.2
122.07256	0.7
123.04429	1.7
123.08109	0.2
126.80553	0.1
126.82604	0.2
127.56843	0.1
137.02951	0.2
137.05934	0.2
137.09616	1.8
142.03490	0.5
147.04396	100.0
148.04735	3.2
160.04564	0.2
165.05470	1.2
165.09091	4.0
165.12767	0.2
182.18575	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.89716	0.2
53.03934	0.5
55.01869	0.5
55.05489	1.0
55.28878	0.2
56.04999	0.2
56.96561	0.2
57.03428	0.2
65.03922	1.7
67.05489	5.5
67.37992	0.3
68.05011	0.3
69.03410	0.8
69.07047	0.5
70.06574	0.3
71.04990	0.2
71.53957	0.3
79.05465	1.8
80.04985	0.4
81.03395	0.4
81.04540	0.4
81.07040	4.0
83.04971	1.3
83.05375	0.2
83.06068	0.6
83.93000	0.4
85.01868	0.2
89.03878	0.2
91.05462	28.5
92.05796	0.5
93.07021	1.8
95.04945	3.5
95.08582	2.5
96.04435	0.2
97.06497	0.2
97.07651	0.3
101.00856	1.0
101.02554	0.2
103.05431	0.8
105.07016	3.0
106.48592	0.2
107.04933	0.8
107.06078	0.4
107.08554	1.6
109.02833	0.4
109.06496	1.9
109.10130	4.7
111.04457	0.3
111.09222	0.3
117.06980	0.6
119.01912	7.6
119.04918	52.1
119.08557	5.7
120.05223	1.4
120.08072	0.7
121.06477	0.4
121.10115	1.3
122.03624	0.3
122.07227	3.0
123.04421	2.1
123.08059	1.7
123.11684	0.4
124.05061	0.4
124.08694	0.7
133.02823	0.5
133.06557	0.2
137.02969	3.2
137.05949	2.0
137.09587	9.8
138.09981	0.3
142.03473	4.3
142.96654	0.6
143.03680	0.3
147.04379	100.0
147.08020	1.7
147.11699	1.2
148.04723	2.6
148.08607	0.7
160.04521	1.9
165.01828	1.0
165.05508	2.9
165.07712	1.1
165.09071	20.7
165.11359	0.6
165.12689	2.9
166.04910	0.4
166.08582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
53.03942	0.3
54.33254	0.2
55.05505	0.4
65.03925	1.7
67.05498	1.5
68.23510	0.2
69.03400	0.2
71.13794	0.3
73.16654	0.2
79.05472	0.6
81.07052	1.1
83.04939	0.3
91.05468	25.8
92.05798	0.6
93.07029	0.4
95.04954	1.7
95.08608	0.7
101.00853	0.3
103.05464	0.3
105.07026	0.5
107.04929	0.3
107.08527	0.2
109.06542	0.4
109.10141	1.7
117.07010	0.2
119.01972	1.7
119.04928	52.6
119.08540	1.8
120.05213	1.3
121.06519	0.2
122.07241	1.8
123.04416	1.8
123.08013	0.5
137.02930	0.4
137.05949	0.6
137.09601	4.6
142.03510	1.3
142.96710	0.2
147.04388	100.0
148.04732	2.4
148.08586	0.2
160.04495	0.3
165.01849	0.2
165.05504	1.5
165.07788	0.2
165.09090	6.5
165.11293	0.3
165.12683	0.4
166.08495	0.2
183.30421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
51.02364	1.0
52.78902	1.2
53.03931	2.6
55.01871	5.8
55.05260	1.0
55.05506	12.9
56.05027	1.6
57.03403	1.6
65.03929	7.1
67.01849	4.0
67.05498	100.0
68.05008	1.5
68.05820	2.0
69.03406	3.8
69.07072	5.6
69.71217	6.0
70.06584	1.8
76.01646	1.0
77.03942	0.9
79.05484	20.6
81.03407	4.5
81.04521	1.6
81.06580	1.5
81.07049	28.5
82.06563	1.0
83.01307	0.9
83.04982	4.5
83.06098	1.6
85.07662	1.1
91.05473	54.8
92.05740	1.0
93.07034	36.7
93.07623	1.8
95.01343	1.1
95.04961	59.6
95.08600	41.1
95.09074	0.6
96.05224	0.9
97.02890	2.2
98.20735	1.1
101.00883	1.4
103.05443	2.1
105.04492	1.2
105.07022	11.1
107.04932	7.3
107.06085	2.1
107.08588	6.9
107.38863	0.9
107.68699	0.9
107.87741	0.9
109.02870	6.2
109.06510	14.2
109.07635	1.8
109.10143	81.2
110.10477	2.4
111.04430	25.2
111.09178	1.3
115.05408	1.7
116.12611	0.8
117.07000	11.5
119.01942	7.7
119.04089	1.7
119.04922	20.2
119.08572	50.8
120.08894	1.6
121.06487	3.3
121.07662	0.9
121.10125	7.9
122.03603	1.8
122.07158	2.2
123.04423	20.4
123.08054	66.7
124.05194	1.0
124.08559	3.5
125.09431	1.7
129.06975	4.8
132.05699	0.9
133.06485	5.8
135.08064	0.9
136.08763	0.9
137.02939	2.5
137.05974	8.2
137.09604	80.9
138.10004	2.5
139.69539	0.9
142.03490	4.7
147.03215	1.9
147.04395	39.7
147.08028	32.0
148.04782	1.4
148.08621	2.7
150.06714	1.1
152.56958	0.9
160.04512	2.2
165.01807	1.2
165.05527	6.0
165.07756	1.8
165.09099	26.6
165.11346	3.0
165.12628	1.1
166.04959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.77000	1.0
51.29898	0.9
55.05497	2.2
56.05020	2.5
63.38578	1.3
67.05492	17.9
68.05000	3.4
69.44891	10.5
70.06585	1.9
70.47398	1.1
79.05463	3.1
80.05003	2.0
81.04530	3.9
81.07037	4.9
83.04956	4.4
83.06095	5.5
84.06865	1.5
91.05454	5.1
93.07020	1.8
95.04955	3.4
95.06073	1.5
95.07584	1.1
95.08570	2.2
97.07637	2.1
98.07156	2.1
98.20779	2.5
101.00889	1.5
107.04919	3.7
107.06044	2.9
108.05623	1.2
109.06487	2.0
109.10142	21.5
119.01902	13.6
119.04926	1.8
119.08566	15.5
119.09368	1.9
120.05545	1.5
122.07240	15.2
123.09142	1.8
124.08709	6.1
137.02921	6.2
137.09598	45.1
138.09990	2.3
142.03476	9.7
142.96652	2.3
147.04381	2.1
148.08656	3.6
160.04555	3.5
165.09094	100.0
165.11113	7.7
166.09541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02567	0.5
53.03950	1.5
55.01878	1.9
55.05513	5.0
56.05027	0.8
56.96556	0.6
57.03432	2.2
57.07074	2.5
65.03930	1.2
67.05495	14.7
68.05037	1.0
69.03418	3.6
69.07065	5.0
70.06596	1.5
70.12780	2.3
71.04980	1.4
71.08636	1.5
79.05479	9.7
80.05021	1.2
80.05809	0.8
81.03419	1.8
81.07047	20.1
82.06571	1.0
82.07394	0.7
83.04974	4.1
83.06087	1.2
83.08617	1.6
83.93040	0.9
85.06546	1.1
85.07664	0.6
90.15946	0.5
91.05469	20.7
92.05779	1.2
93.07036	14.5
94.04187	1.3
94.57582	0.6
95.04954	9.6
95.06081	0.6
95.08595	15.2
96.08907	0.5
97.06526	1.5
97.07668	0.7
98.21475	0.6
101.00858	2.6
103.05447	1.7
105.03403	0.7
105.07017	16.2
107.04940	2.4
107.06087	1.6
107.08583	14.2
107.09181	0.4
107.72452	0.5
108.05713	0.7
109.02872	0.7
109.06505	24.8
109.10143	15.7
110.07272	0.9
117.06997	1.5
119.01907	15.6
119.04081	0.7
119.04924	15.7
119.08565	24.0
120.01991	1.4
120.05225	0.8
120.08068	2.0
120.08875	1.0
121.06477	2.6
121.07627	0.7
121.10128	23.3
122.07259	12.8
122.10451	0.7
123.04440	2.3
123.08064	12.5
123.11671	4.4
124.03922	0.5
124.08639	2.3
125.05996	0.6
125.09485	0.5
133.02843	1.6
133.06483	1.7
135.08002	2.9
136.07584	1.3
137.02974	6.5
137.05984	6.2
137.09598	100.0
137.13217	1.9
138.02968	0.7
138.05499	0.7
138.09953	3.5
142.03481	8.9
142.96684	2.2
143.03578	0.9
147.04391	29.0
147.07993	2.5
147.11682	8.8
148.02136	1.6
148.04785	1.5
148.08612	1.4
150.10371	4.8
154.23929	0.5
160.04518	3.6
165.01770	1.4
165.04349	0.6
165.05531	7.3
165.07626	1.7
165.09073	16.2
165.11435	2.1
165.12726	34.4
166.04945	1.7
166.08516	4.3
166.13052	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	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.26543	0.7
53.03922	2.4
55.01852	3.2
55.05506	5.7
56.05005	0.7
57.03426	1.8
57.07057	2.4
58.06592	1.1
65.03930	2.3
67.05500	17.2
68.05010	1.6
69.03423	5.5
69.07056	4.7
69.66562	5.1
70.06570	2.7
71.04987	1.3
79.05114	0.8
79.05487	10.8
80.04991	2.0
81.03403	2.4
81.04533	1.2
81.07048	21.9
82.06540	2.1
83.04979	5.1
83.06091	3.3
83.08603	2.3
83.93020	1.2
84.64700	0.8
85.07623	1.1
88.20523	0.8
91.05472	28.3
92.05820	1.5
93.07034	14.7
94.06557	0.9
95.04961	11.6
95.06006	0.8
95.08596	18.0
97.06519	1.7
97.07637	1.6
100.02480	0.8
101.00879	4.3
101.02504	0.9
103.05441	2.2
105.03367	2.4
105.04426	0.8
105.06369	1.4
105.07021	18.2
107.04906	2.1
107.06068	2.0
107.08584	14.1
108.08831	0.9
109.02831	0.8
109.05775	1.2
109.06507	24.1
109.07607	1.3
109.09441	1.1
109.10149	16.8
110.07188	1.0
110.10456	1.1
111.04439	1.2
111.09126	1.1
117.06994	3.2
119.01910	23.8
119.04928	26.5
119.08568	29.3
120.05373	1.7
120.08081	4.3
120.08897	1.7
121.06502	2.8
121.10130	22.7
122.03622	1.0
122.07239	11.5
122.10464	1.0
123.04393	5.0
123.06658	1.2
123.08055	14.7
123.11700	5.5
124.08733	4.6
125.05907	0.8
125.09451	1.2
133.02846	2.2
133.06447	2.4
135.08076	1.7
136.07555	2.7
137.02991	10.7
137.04974	1.2
137.05986	7.9
137.09599	100.0
137.13202	2.3
138.03047	1.1
138.05408	1.4
138.09993	4.2
142.03482	15.9
142.96693	3.8
143.03581	1.9
145.10106	0.8
147.04395	53.6
147.08028	3.4
147.11684	10.4
148.02130	3.4
148.04807	1.8
148.07503	2.6
148.08649	3.8
150.10362	4.1
156.38525	0.8
160.04523	6.6
160.35979	0.7
165.01820	3.5
165.05580	8.5
165.07651	2.9
165.09070	24.4
165.11417	2.9
165.12726	40.0
166.04880	4.3
166.08513	7.8
166.13116	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	166.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01853	3.2
55.05499	1.5
55.89717	0.8
56.05025	4.4
56.96557	39.9
57.03427	4.3
60.04502	0.9
61.01134	1.0
61.02899	1.9
65.03918	3.0
65.92609	5.0
67.05501	13.6
68.05799	1.5
69.03416	4.8
71.01334	0.9
71.04999	0.9
71.56137	1.6
71.95244	3.6
72.96004	1.2
73.02901	1.9
74.02431	8.9
74.06067	1.1
74.97595	0.9
75.02681	1.4
77.00854	1.0
79.05486	8.2
80.04990	3.5
80.94944	8.2
81.03399	1.6
81.07036	1.5
82.06552	1.7
83.04945	3.6
83.93630	1.1
83.99899	1.1
84.00945	0.9
84.96021	2.3
85.02879	2.6
86.06017	1.1
87.04455	1.8
89.00801	1.0
91.05452	5.6
92.01285	1.8
92.05795	2.5
93.03374	3.5
93.07031	6.8
94.01785	1.7
94.06542	2.6
95.01323	1.4
95.04964	9.8
95.08559	1.4
96.04486	1.4
96.05270	2.6
97.02864	2.9
97.06534	1.4
97.99118	1.0
98.01270	1.7
98.95991	1.3
98.97591	4.8
100.02454	2.3
101.00857	8.4
101.02524	1.0
102.00922	10.7
102.02288	1.0
102.05504	1.5
103.00600	6.1
103.02335	3.8
103.05446	8.0
104.01232	0.8
105.00209	3.0
105.03703	2.4
105.04376	1.1
105.07005	3.5
106.06563	1.3
107.01770	1.1
107.04910	3.0
108.04431	1.4
108.08096	1.8
109.02849	1.5
109.06491	1.3
110.06005	2.0
110.97538	1.0
111.02919	0.9
111.04391	3.0
113.00774	1.0
113.02323	1.4
115.02388	6.3
116.98626	4.6
118.03543	1.4
119.01901	46.7
119.04919	1.0
120.01987	100.0
120.05271	3.4
120.08089	52.8
121.01642	29.2
121.02269	0.7
121.02956	1.7
121.06478	5.8
121.08365	0.9
121.10096	1.0
121.97572	4.0
122.02303	1.1
122.05982	1.3
123.01187	3.9
123.04406	2.7
124.04715	3.1
124.07533	1.4
124.93861	2.9
124.99087	1.4
125.02506	3.0
128.98558	1.7
131.01897	4.7
131.04880	3.5
133.03458	6.6
133.05186	3.0
134.03551	0.9
134.99591	3.7
135.05057	1.2
136.04607	0.8
136.07558	5.8
137.02933	21.5
137.08264	1.0
138.03038	52.1
138.05412	5.5
138.09103	3.8
139.02676	17.7
139.03757	2.0
141.02176	3.3
142.03482	13.7
142.94894	2.9
142.96552	2.2
143.00113	3.9
143.01804	2.7
143.03603	73.4
144.03206	17.9
144.04958	1.0
145.03412	1.0
146.99626	2.2
148.03717	1.9
148.04715	4.4
148.07552	11.3
149.02501	2.9
149.05962	3.1
155.00041	0.9
155.01691	0.9
156.05074	1.1
157.01721	1.9
157.03439	1.3
158.99617	1.3
160.04530	6.0
160.95961	7.8
160.97504	3.6
161.01190	8.6
161.02928	11.9
161.04663	32.4
162.04250	9.3
165.96544	1.8
166.04965	12.6
166.07352	2.1
166.08597	28.2
166.10725	1.2
167.03424	2.4
167.06943	4.0
169.01714	1.6
169.03297	0.8
171.04922	1.1
172.95267	1.5
177.00677	1.1
178.98518	1.2
179.02313	1.8
179.03947	2.2
183.97548	2.5
184.02971	1.2
184.04515	1.0
185.01125	3.2
185.02812	1.2
187.02716	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	166.0861
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02369	0.2
53.03917	0.1
62.90633	0.1
67.95169	0.1
69.77002	0.7
69.77397	0.2
77.03957	0.1
78.04700	0.1
79.05484	1.3
91.05463	1.0
93.07027	2.5
94.06536	0.1
95.04967	0.3
101.24414	0.1
103.05450	11.6
104.05794	0.3
107.04939	2.4
118.06590	0.2
120.08086	100.0
121.08424	2.6
131.04903	2.5
149.05954	0.5
166.08620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0699
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03935	4.6
60.09544	0.9
61.10805	0.9
63.58649	0.8
67.01857	22.2
69.85592	3.9
72.13494	0.9
81.03374	1.2
83.04992	2.3
85.02878	4.8
89.18945	0.8
91.05467	11.7
92.82246	0.8
93.07030	55.6
94.07351	2.3
95.01321	2.0
95.04950	5.9
103.05488	1.0
105.04497	1.1
111.08046	4.0
121.01631	3.3
121.06479	13.1
124.05192	2.0
139.02721	2.0
139.07518	18.9
144.03220	2.9
149.05959	26.7
150.06271	1.3
167.07021	100.0
168.07355	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02359	0.6
53.03935	2.9
55.01873	2.8
55.05508	7.1
56.05013	1.3
57.03407	1.0
57.07059	0.8
59.04980	1.2
59.06115	1.0
65.03925	3.0
67.05500	4.1
68.05008	1.9
68.99751	0.8
69.03432	3.2
69.04536	0.5
69.07056	2.6
70.06567	0.9
71.04967	1.3
71.56094	0.9
71.76888	0.4
72.08134	0.8
72.96674	0.4
77.03916	0.8
78.04694	1.3
79.05485	19.2
80.04982	0.7
81.03400	1.6
81.04513	0.8
81.07047	6.3
82.06560	1.7
83.01360	0.4
83.04971	12.4
83.06071	1.5
83.08641	2.5
84.04512	0.6
85.02881	0.8
85.06505	1.5
85.07645	0.9
91.05471	15.6
92.05795	0.6
93.03389	1.5
93.07037	23.0
94.06540	1.2
95.04960	6.8
95.06071	0.7
95.08611	2.2
97.02884	1.0
97.06533	4.2
97.07637	0.9
97.10154	0.6
98.06007	0.6
103.05450	2.1
105.04493	1.0
105.07008	2.6
107.04922	3.0
107.06071	0.6
107.08586	6.5
109.02869	1.4
109.06509	2.0
109.07623	5.3
109.10155	1.4
110.07145	0.9
110.08401	1.9
111.04438	7.6
111.05553	0.5
111.08060	2.3
111.09159	2.0
119.08550	0.5
121.02852	5.0
121.06490	14.7
121.10132	7.6
122.06018	0.6
122.07071	1.4
122.88743	0.4
123.04442	4.5
123.08047	2.2
123.09071	0.7
123.11649	0.6
124.05154	0.7
124.08739	0.9
125.05970	1.6
125.08186	0.8
125.09612	3.1
126.05489	0.8
127.07420	0.4
131.08517	0.6
131.64168	0.4
135.04405	0.4
137.09613	0.5
139.03876	4.8
139.07521	1.7
139.11163	1.3
140.11888	0.4
149.02335	4.1
149.05962	4.6
149.09586	2.8
149.13206	0.8
150.05481	0.4
150.10228	3.5
151.03886	0.5
152.04602	0.6
167.03415	4.6
167.07024	100.0
167.10547	3.2
167.12924	1.4
167.14317	2.1
168.07565	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	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01580	0.2
51.02372	0.5
52.03151	0.3
53.03928	1.2
53.76471	0.2
55.01853	0.7
55.05503	1.1
56.05008	0.3
56.96551	0.3
57.03426	0.3
65.03920	0.9
66.04714	1.0
67.01851	0.3
67.05492	1.5
67.83711	0.2
68.05024	0.3
68.99766	0.3
69.03416	0.8
69.07061	1.4
70.17236	1.0
70.76483	0.3
71.04975	0.5
71.54678	0.2
77.03901	0.4
78.04704	16.1
79.05055	0.5
79.05478	6.1
80.04983	0.2
81.03408	1.4
81.04525	0.4
81.07059	2.5
82.06544	0.4
83.04987	1.1
83.06075	0.4
83.08611	0.6
85.02888	0.5
91.05472	2.1
93.03395	0.9
93.07030	3.5
94.04179	0.7
95.04965	3.3
95.08605	1.5
96.04496	0.4
96.05724	1.0
97.02869	0.5
97.06539	1.3
99.04480	0.2
105.03371	1.2
105.04491	0.5
105.07016	0.8
106.04170	5.7
107.04972	2.6
107.08584	2.7
109.02253	0.3
109.02872	2.2
109.06528	1.5
109.07619	1.1
110.03652	0.5
110.08405	0.5
111.04404	0.8
111.08064	1.0
117.87060	0.2
118.12206	0.2
120.02071	0.3
121.01634	0.9
121.02848	0.9
121.06504	1.9
121.07300	0.3
121.10114	3.1
122.03632	1.4
122.06061	0.3
122.07128	0.6
123.04416	29.3
123.08045	0.8
123.11694	0.6
124.05221	8.9
124.08717	0.3
125.05935	0.9
125.08215	0.3
125.09597	0.6
126.05497	0.4
131.08597	0.3
134.03593	1.1
135.04431	1.1
137.02313	0.8
137.05959	1.4
138.03134	0.4
138.05469	0.4
139.02698	0.5
139.03818	0.5
139.07536	0.9
139.11142	0.9
140.06947	0.2
143.96684	0.3
144.03256	0.6
149.02335	1.0
149.04857	0.3
149.06006	0.7
149.09584	0.7
149.13252	0.7
150.05507	0.3
150.06621	0.3
150.10217	0.7
151.03882	5.5
152.04677	5.4
162.04300	0.3
167.03406	2.1
167.07021	100.0
167.10564	1.9
167.14279	0.7
168.04173	0.7
168.07452	2.6
181.35207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03939	2.2
54.49364	0.7
55.01863	2.0
55.05505	34.1
56.05032	1.4
56.05858	0.8
57.07067	1.5
59.04993	4.9
59.06107	1.8
65.03927	1.7
67.05493	3.6
68.05016	1.9
69.03430	4.0
69.07067	13.3
69.07417	1.4
69.64642	5.3
70.06587	1.4
71.04973	1.1
78.04705	1.5
79.05483	19.7
81.03390	0.9
81.07051	9.7
82.06575	2.4
83.04966	8.9
83.06136	1.4
83.08610	2.4
84.04549	0.8
84.08150	1.9
85.06567	1.0
85.07669	1.6
91.05462	14.8
93.07030	16.2
95.04949	4.0
95.06063	1.1
95.08605	4.7
97.02872	1.0
97.06521	5.6
97.10162	20.9
98.21461	1.0
103.05467	1.6
105.04510	1.2
105.07019	15.0
107.04950	7.6
107.08581	54.2
108.08923	1.1
109.02872	2.1
109.06500	19.4
109.07594	5.8
109.10156	1.6
110.08420	3.1
111.04437	3.4
111.08063	3.8
111.09203	2.9
115.45698	0.7
119.06078	1.4
119.08580	2.4
121.01698	1.2
121.02822	1.7
121.06493	29.5
121.10126	51.8
122.07105	2.4
122.10464	1.5
123.04425	2.5
123.08051	4.1
123.09235	0.8
123.11691	2.0
124.08730	1.4
125.05966	2.2
125.09615	100.0
126.05531	0.9
126.09988	2.7
131.08548	2.2
139.03864	1.8
139.07539	1.5
139.11162	4.9
144.03210	0.9
144.95865	1.1
149.02354	1.9
149.05969	2.4
149.09599	40.5
150.10248	6.6
151.03934	0.7
162.96895	1.4
167.03468	3.5
167.05617	1.5
167.07010	8.1
167.10652	74.3
167.12961	2.2
167.14352	2.2
168.06520	1.3
168.11101	1.9
178.36063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03933	1.4
55.01853	1.9
55.05504	30.5
56.05029	0.9
56.96556	1.0
57.07066	1.8
58.06573	1.0
59.04995	5.6
59.06103	1.3
65.03927	2.4
67.05489	5.3
68.05031	1.9
69.03419	4.1
69.07059	18.3
69.37185	8.5
70.06565	2.1
71.04955	1.0
75.01012	0.9
78.04680	2.4
79.05483	22.9
81.03401	1.7
81.04523	1.5
81.07047	11.3
82.06560	3.2
83.04971	5.1
83.06084	1.2
83.08624	1.2
84.04507	1.0
91.04935	1.6
91.05465	19.5
93.03404	1.6
93.07034	29.1
94.06542	1.2
94.07368	1.0
95.04969	5.5
95.08606	7.9
97.06533	8.9
97.07621	2.1
97.10162	20.0
98.07135	1.3
103.05450	1.8
105.04539	1.1
105.07017	18.1
107.04951	6.1
107.08582	59.2
109.02850	2.2
109.06499	18.1
109.07597	7.1
110.07121	1.1
110.08392	3.2
111.04414	4.2
111.08035	3.2
111.09225	4.4
116.06226	1.5
119.06027	1.1
119.08556	1.8
119.25587	1.0
121.01656	2.9
121.02877	1.5
121.06493	34.7
121.10126	74.0
122.07076	2.5
122.10442	1.7
123.04409	4.1
123.08086	6.4
123.08897	1.1
124.05157	1.5
124.08665	2.4
125.05960	3.4
125.09615	100.0
126.09950	1.8
127.07298	1.2
131.08537	3.3
133.07559	1.3
135.04370	1.2
139.02702	1.1
139.07561	1.1
139.11143	4.0
139.51797	0.8
144.03201	1.7
149.02306	2.9
149.05962	2.4
149.09601	41.9
150.06680	1.0
150.10243	7.5
152.04674	1.2
162.04291	1.0
167.03441	5.0
167.07037	18.6
167.10651	84.2
167.12958	2.6
168.06538	1.5
168.11053	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	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.17649	0.6
53.03944	4.1
53.56092	0.7
55.01861	3.3
55.05500	9.3
55.51541	0.6
56.05028	1.3
57.03430	4.0
57.07068	1.4
58.17583	0.7
59.04992	0.9
59.06107	2.6
61.02908	0.8
65.03931	2.2
67.05490	6.8
68.05013	1.8
69.03419	11.3
69.07052	4.7
70.06593	1.3
70.30017	0.7
71.03487	2.1
71.04984	1.7
75.04468	4.4
78.04704	3.0
79.05482	57.1
80.05802	0.8
81.03405	1.5
81.04534	0.6
81.07043	15.7
82.06572	3.2
83.04971	13.5
83.06078	1.9
83.08616	2.6
85.06544	1.0
87.04461	1.1
91.05466	22.1
92.05784	0.8
93.03362	0.8
93.07030	100.0
94.06535	0.9
94.07362	2.2
95.04951	9.1
95.06088	1.0
95.08595	6.3
97.02818	1.0
97.06522	4.3
97.07651	1.8
97.10139	1.7
99.05622	0.9
99.08061	2.0
103.05469	2.0
105.04501	2.1
105.07009	19.3
106.04139	1.1
106.07821	1.0
107.04950	5.4
107.08576	83.4
108.08894	2.3
109.02847	2.2
109.06486	7.8
109.07614	6.4
110.07123	1.5
110.08406	1.9
111.04411	7.9
111.08059	20.7
111.09207	3.1
112.60759	0.8
119.06072	1.3
119.08575	2.7
121.01646	3.1
121.02894	1.9
121.06501	7.0
121.10126	74.9
122.07147	3.6
122.10493	1.9
123.04399	6.0
123.08054	4.6
123.09115	0.8
123.11681	2.1
124.05175	2.0
124.08701	1.9
125.05983	6.7
125.08249	0.9
125.09612	9.1
126.06636	0.9
126.10241	0.7
131.08595	4.4
133.07625	0.8
134.03729	0.7
137.09686	0.8
138.06772	0.9
139.03865	1.1
139.07550	2.0
139.08615	0.7
139.11127	4.3
144.03209	2.0
149.02324	3.0
149.05972	2.8
149.09595	17.3
149.13228	0.9
150.05447	1.1
150.06563	1.4
150.10236	4.4
151.03810	0.9
152.04675	1.7
152.06085	0.8
159.82526	0.7
167.03355	3.9
167.07014	24.9
167.09177	2.5
167.10629	19.0
167.12961	1.9
167.14268	1.2
168.06464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03934	1.3
54.29609	0.3
55.01867	3.2
55.05501	9.9
57.03432	1.5
59.74449	0.3
61.02917	0.7
65.03928	1.0
67.05494	6.3
68.99792	0.8
69.03421	13.6
69.07053	2.7
70.94292	0.7
70.94669	0.6
71.04986	1.2
77.03884	0.6
78.04726	0.5
79.05481	68.7
80.05815	0.9
81.03413	0.8
81.06569	0.7
81.07045	12.6
83.04968	19.0
83.08596	0.8
84.05320	0.5
85.06519	0.8
91.05470	13.7
93.07030	34.0
94.07362	0.6
95.04947	3.4
95.08605	2.6
97.06537	1.6
97.10165	2.9
99.08078	2.8
103.05451	0.6
105.04487	0.4
105.07018	14.2
106.04140	0.6
107.04956	3.5
107.08577	100.0
108.08911	2.6
109.02797	0.4
109.06499	10.4
109.07613	0.5
111.04416	1.5
111.08092	0.6
111.55201	0.3
116.06214	0.4
119.06019	1.4
119.08555	0.6
121.06464	1.7
121.10126	25.5
122.07075	0.4
122.10462	0.5
123.04401	0.7
123.08051	2.1
124.05241	0.4
125.05978	3.3
125.09611	13.8
129.06911	0.4
131.08551	4.8
133.07576	0.3
139.07599	0.5
139.11084	0.7
149.02234	0.5
149.09595	14.7
150.10120	0.6
167.03352	0.6
167.07076	3.5
167.10651	16.0
168.11029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24202	1.7
53.03932	4.7
55.01867	9.7
55.05506	83.4
57.03423	3.4
57.07062	4.1
58.09143	1.4
59.04991	9.9
59.06096	1.4
65.03928	5.0
67.01859	2.2
67.05493	21.7
68.05006	3.3
68.99766	4.0
69.03422	21.6
69.07062	10.8
70.06580	4.6
71.04975	4.2
71.45958	1.7
73.06570	1.3
78.04682	4.2
79.05484	14.6
80.05001	1.5
81.03420	3.7
81.04501	1.6
81.07045	17.0
82.06554	2.3
83.04971	80.3
83.06069	4.2
83.08608	37.4
84.05269	1.7
84.08118	1.5
85.02874	1.6
85.06516	7.3
91.05457	8.6
93.03388	5.5
93.07033	20.3
95.04956	7.8
95.06061	2.1
95.08601	10.1
97.02848	2.8
97.06504	6.4
97.10146	8.9
105.07022	6.4
107.04929	4.8
107.08582	23.1
109.02862	6.1
109.06476	5.0
109.07651	8.7
109.10133	16.1
110.06083	1.8
110.07217	2.1
110.08407	4.0
111.04450	7.9
111.08068	30.5
111.09196	5.2
112.08838	6.2
113.09595	1.6
121.01653	4.7
121.02859	7.4
121.06487	6.6
121.10123	26.0
122.05992	2.7
122.07133	6.0
123.04395	10.2
123.05255	1.6
123.08051	3.4
123.11680	6.9
124.05202	4.7
124.08689	5.2
125.05968	5.3
125.08193	1.4
125.09630	13.2
126.05559	2.1
126.06609	1.5
137.05856	1.6
139.03880	100.0
139.07509	3.4
139.11195	2.2
140.04237	4.6
140.07072	2.0
144.03246	3.7
149.02309	5.0
149.04927	4.0
149.06036	2.5
149.09598	5.4
149.13234	3.8
150.05420	2.5
150.06564	2.6
150.10240	10.7
151.03952	2.2
162.04251	1.5
167.03374	8.2
167.07034	37.3
167.09201	3.0
167.10672	5.7
167.12973	3.1
167.14282	31.0
168.06436	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03942	6.9
55.01859	4.1
55.05507	88.3
56.05017	1.8
56.05839	1.0
57.03429	3.9
57.07058	4.3
59.04995	11.7
59.06109	2.8
60.97961	0.9
61.02832	1.0
65.03920	3.0
67.05502	20.7
68.05029	1.7
68.87560	1.0
69.03059	1.5
69.03424	25.6
69.04546	1.0
69.07063	15.7
69.63088	4.6
69.63519	2.7
70.06570	1.8
71.04975	3.0
77.03931	0.9
78.04705	6.7
79.05487	18.7
80.05808	1.1
81.03400	2.0
81.04527	1.1
81.07050	20.1
82.06563	3.8
83.04975	100.0
83.06051	3.5
83.08611	35.5
84.04507	1.1
84.05294	1.5
85.02883	1.5
85.06541	10.6
85.07638	1.5
91.05482	10.7
92.23293	1.0
93.03405	1.3
93.07035	34.5
94.06559	1.5
95.04975	6.5
95.06064	1.2
95.08596	12.1
96.22717	0.9
97.02911	1.7
97.06526	7.7
97.07632	2.0
97.10165	12.4
98.06003	0.9
99.08105	1.0
103.05470	2.1
105.07015	8.5
106.04177	2.2
107.04951	6.2
107.08588	23.3
108.04472	2.0
108.08908	1.0
109.02859	3.6
109.06505	5.5
109.07627	10.5
109.10145	18.1
110.07148	1.9
110.08395	4.1
110.10485	1.4
111.04436	4.0
111.08073	31.6
111.09204	4.0
112.08873	7.6
113.09643	3.3
119.08557	1.6
121.01651	3.3
121.02898	2.4
121.06492	9.7
121.10133	35.1
121.87190	1.0
122.06049	1.6
122.07121	4.9
122.10476	1.4
123.04428	12.8
123.08041	5.2
123.09119	2.0
123.11691	9.7
124.03891	1.2
124.05195	4.6
124.08669	3.0
125.05963	3.5
125.08282	1.1
125.08714	1.6
125.09603	18.7
126.05521	2.4
126.06591	1.3
127.07388	1.5
131.08536	2.0
133.07603	1.4
134.03638	1.0
139.03841	1.9
139.07510	3.2
139.11188	1.8
140.07040	1.4
144.03252	1.9
149.02327	3.3
149.05952	3.1
149.08583	1.5
149.09595	7.2
149.13242	6.8
150.06578	1.6
150.10252	6.4
151.03909	3.2
152.04654	3.2
167.03380	4.2
167.07028	42.8
167.08170	1.5
167.09305	1.9
167.10660	12.3
167.12962	2.8
167.14287	34.2
168.06488	2.2
168.11328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
53.35326	0.7
54.03466	1.2
55.01864	8.5
55.05504	77.6
56.05029	4.6
56.05826	1.5
56.96548	3.1
57.03429	4.9
57.07075	4.5
58.06601	1.3
59.04994	12.9
59.06114	5.2
65.03925	8.0
66.04703	1.9
67.05494	25.1
68.05022	7.1
68.99765	1.4
69.03419	27.4
69.04563	1.7
69.07056	17.1
70.06582	7.1
71.04989	6.4
71.06091	0.9
71.07326	1.0
71.52712	1.0
71.53097	1.0
72.08133	2.1
73.02905	5.9
77.03904	1.5
78.04700	8.5
79.05483	39.4
80.04987	3.2
80.05830	0.8
81.03403	6.0
81.04527	3.5
81.07048	28.5
82.06570	8.2
82.07378	1.4
83.04971	100.0
83.06047	7.0
83.08607	29.2
84.04478	1.3
84.05293	2.3
84.06875	1.0
84.08118	3.8
84.95982	1.0
85.02863	2.6
85.06533	10.2
85.07636	3.2
86.06049	1.4
91.05460	19.4
93.03384	2.9
93.07030	43.0
94.04166	1.4
94.06551	3.6
94.07344	1.6
95.01234	0.9
95.04960	10.8
95.06067	3.8
95.08593	20.0
96.04475	1.1
96.05721	1.6
97.02864	1.1
97.06521	18.0
97.07597	6.1
97.10154	10.8
98.06032	2.2
98.07191	1.5
99.04426	1.5
99.05593	1.1
99.08080	0.9
99.09215	1.2
103.05432	3.5
105.04512	1.9
105.07017	15.2
106.04142	4.0
107.04949	10.3
107.06030	2.2
107.08581	48.4
108.04457	2.4
108.05656	2.1
108.08877	1.7
109.02875	5.6
109.06513	9.2
109.07626	20.1
109.10140	16.8
109.10807	0.8
110.06051	1.5
110.07159	3.7
110.08427	9.5
111.04430	16.4
111.08062	23.9
111.09196	11.8
112.08852	6.3
113.09660	2.2
119.04987	1.6
119.08584	2.9
121.01764	5.0
121.02854	50.3
121.06490	16.3
121.07436	1.6
121.07594	1.3
121.10123	49.0
122.03106	1.1
122.06014	3.3
122.07137	6.4
122.09638	1.1
122.10459	1.9
123.04424	16.4
123.05370	1.5
123.08048	9.7
123.09155	4.6
123.11691	7.0
124.05249	5.5
124.08687	6.1
125.05957	10.5
125.07027	1.9
125.08222	2.0
125.09611	20.4
126.05522	2.2
126.06613	1.9
126.10221	3.1
127.03884	1.6
127.07371	2.0
127.11020	1.4
131.08527	6.6
133.07561	2.1
134.03531	1.4
135.04440	1.6
137.05959	1.7
137.08197	1.1
137.09604	2.5
138.03151	0.8
138.10184	1.2
139.02766	2.6
139.03868	17.3
139.07507	6.6
139.09573	0.9
139.11165	8.0
140.03358	1.2
140.04298	1.1
140.07065	1.8
140.08086	1.1
140.11742	1.5
144.03246	2.7
149.01268	1.2
149.02348	9.2
149.04935	2.0
149.05988	13.9
149.08458	0.6
149.09607	14.1
149.13246	4.9
150.02937	1.1
150.05501	2.0
150.06525	1.9
150.09093	0.8
150.10237	21.2
150.11386	1.8
151.03871	2.9
151.08649	1.3
152.04657	2.8
167.03392	11.3
167.07024	69.7
167.09215	4.9
167.10600	18.8
167.12918	6.0
167.14314	24.6
168.06575	3.4
168.07745	1.7
168.10085	1.3
168.11330	2.4
168.14687	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	169.0493
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03936	0.9
53.93232	0.5
55.01855	1.6
55.05505	2.5
56.05007	0.4
57.03423	0.8
57.07061	1.2
59.04989	0.6
59.06094	1.2
59.97140	0.4
65.03934	2.7
67.01854	22.3
67.05492	8.7
68.05008	0.8
68.99769	5.7
69.03438	2.5
69.07061	3.5
70.06575	0.7
71.04981	2.9
71.08311	1.0
71.08651	0.7
72.08127	1.2
72.83436	0.5
79.05468	2.3
81.03408	3.6
81.07044	9.3
83.04971	3.7
83.06094	0.7
83.08608	0.6
84.08115	1.0
85.02892	13.8
85.06524	5.1
85.07639	0.7
86.43835	0.4
91.05460	1.4
93.07018	1.7
94.06524	0.5
95.04955	9.2
95.06017	0.5
95.08582	4.5
96.08136	0.5
97.06498	1.5
98.07201	0.5
99.04423	1.8
99.08030	0.5
105.07000	2.0
107.08581	2.0
109.02874	5.5
109.06501	4.4
109.07599	1.1
109.10145	6.8
110.05986	0.7
110.07165	0.8
111.00789	4.1
111.04432	3.6
111.05552	0.7
111.08060	5.0
111.09180	5.2
113.05991	2.0
118.69666	0.4
121.10106	1.4
123.04412	33.2
123.08026	3.0
123.11703	6.5
124.04728	1.0
124.07554	0.8
125.05971	0.6
125.09595	1.8
126.03104	4.9
126.10338	0.5
127.03899	19.1
128.04245	0.6
129.01782	0.8
133.02835	1.0
133.10100	1.3
134.61186	0.5
138.06761	1.0
139.11165	1.0
141.05435	13.6
141.06592	0.7
141.07022	0.6
151.03879	68.0
151.11145	2.5
152.04253	2.4
152.07008	0.6
152.08110	0.9
152.11667	0.5
169.04939	100.0
169.09869	1.5
169.12175	5.2
169.14513	0.8
170.05267	2.4
170.08183	0.8
170.09573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03935	2.6
55.01626	1.2
55.01868	17.3
55.05504	9.4
56.94899	0.7
57.03423	5.0
57.07069	23.0
59.04995	3.7
59.06117	1.5
65.03936	4.5
66.25597	0.8
67.01853	1.2
67.05499	38.9
68.04991	1.0
68.99789	0.8
69.03423	42.2
69.07057	20.8
69.26247	8.8
71.04987	25.7
71.08620	0.9
72.08121	1.5
73.06548	1.6
76.96834	0.8
79.05488	11.2
81.03409	5.2
81.07047	62.4
82.07355	0.9
83.04973	16.3
83.06084	1.9
83.08619	4.5
84.08148	1.4
85.02890	7.7
85.06535	100.0
86.06868	1.7
91.05466	4.7
93.07035	11.3
93.16422	0.7
95.04966	15.6
95.08595	26.4
96.08960	0.9
97.06527	7.8
97.07617	0.9
97.34078	0.8
99.04449	5.7
99.08092	3.7
105.07024	10.8
107.04971	1.2
107.08591	12.5
108.05730	1.0
109.02876	6.8
109.06503	25.2
109.10143	64.7
110.06041	1.0
110.07155	1.4
110.10425	1.0
111.00784	3.4
111.04418	3.5
111.08064	13.6
111.09184	5.8
113.05994	15.2
113.87731	0.8
119.08542	1.1
121.09314	1.4
121.10132	23.5
123.04436	5.2
123.08061	18.0
123.11694	65.0
124.07563	1.2
124.11990	1.9
125.05975	1.5
125.09638	4.3
126.03129	7.0
127.03931	1.2
127.07500	1.6
133.10124	5.3
136.08846	1.2
138.06749	1.0
139.11168	20.0
141.05437	14.2
142.08621	1.5
151.03929	5.0
151.07596	1.8
151.11169	25.9
152.11737	0.9
153.63338	0.7
157.97617	0.8
168.08060	1.0
169.01370	0.9
169.04962	10.5
169.06375	1.2
169.07483	1.2
169.12221	65.4
170.08150	1.4
170.09583	3.2
170.12556	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.00280	0.8
53.03934	2.2
55.01851	2.9
55.05507	17.1
57.03423	5.0
57.07075	10.6
59.04979	1.5
61.74080	0.8
63.01341	0.8
65.03931	5.4
67.05499	80.9
68.05822	2.1
68.99790	1.3
69.03407	3.0
69.07059	14.6
70.02951	0.9
70.06580	1.6
71.04987	21.1
71.15554	2.0
79.05486	16.6
81.02541	0.9
81.03417	5.6
81.07048	63.3
82.07361	1.8
83.04974	8.2
83.06090	0.9
83.08626	4.6
83.09035	1.0
84.33313	0.8
85.02919	2.2
85.06541	10.2
91.05470	15.2
93.07028	14.1
95.04958	9.0
95.08591	8.4
96.08075	1.0
97.06509	3.1
98.03648	1.0
99.04455	3.2
102.54485	1.1
105.06367	1.8
105.07023	21.4
106.14577	1.1
107.04960	1.4
107.08586	29.0
109.02873	9.2
109.06509	13.4
109.10143	100.0
110.06042	1.8
110.10483	2.5
111.00786	6.6
111.04451	4.7
111.08026	2.1
111.09193	2.1
113.05997	5.8
118.40890	0.8
123.04427	3.8
123.08094	6.8
123.11693	15.9
124.07575	3.2
125.05974	2.9
125.09622	1.8
126.03115	9.0
127.03905	2.6
127.04887	0.9
127.07569	1.4
127.11168	2.0
128.95117	1.1
133.02806	1.7
133.10114	34.1
134.10463	1.1
138.06718	1.3
141.05449	24.9
141.07028	2.1
142.08629	2.2
146.96153	1.4
151.03911	2.9
151.07486	1.0
151.11166	17.9
152.07048	2.1
152.11719	1.1
154.06270	1.5
154.07719	2.3
163.97656	1.0
169.04974	12.4
169.06348	1.7
169.08644	1.9
169.10054	2.5
169.12210	7.9
170.08142	2.0
170.09592	3.2
174.03380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1586
Annotation	(E)-2-Undecenal
Peak:m/z	Relative Intensity
53.03936	1.7
55.05503	10.7
55.78916	0.6
55.93511	0.7
56.05025	1.0
56.96552	1.8
57.03437	3.5
57.07067	4.9
58.96553	0.7
59.06116	1.0
65.03924	4.0
67.01862	0.6
67.05497	32.7
67.10403	0.6
68.05821	0.6
68.99778	1.8
69.03410	2.6
69.07059	22.1
69.31306	0.6
70.06579	0.9
70.84505	0.7
71.04987	11.8
71.08627	3.0
71.56413	0.7
72.08142	0.8
73.06550	0.7
79.05486	6.6
80.04990	0.7
81.03413	5.2
81.07049	62.5
82.06566	0.8
82.07391	0.9
83.04973	2.6
83.06078	1.2
83.08621	7.5
84.08163	0.9
85.02905	1.5
85.06535	100.0
85.10144	0.7
86.06050	0.9
86.06861	0.8
91.05468	1.3
92.04982	1.4
93.05777	1.4
93.07046	4.8
95.04963	4.6
95.08595	84.3
96.08135	1.2
96.08927	1.9
97.02901	1.0
97.06501	1.2
97.10195	0.9
98.06027	0.7
99.04442	1.3
99.08083	5.1
105.07020	2.8
107.08587	3.7
109.02872	9.9
109.06530	4.8
109.07645	1.3
109.10143	33.1
110.06017	1.7
110.07175	2.1
110.10452	0.7
111.00796	8.1
111.04447	6.8
111.08057	1.0
111.09229	3.1
113.05977	1.4
123.04383	4.0
123.08038	2.7
123.09945	0.8
123.11694	8.0
124.07564	2.1
124.08618	0.6
125.05988	1.8
125.13239	2.2
126.03117	11.9
127.03897	2.9
127.07545	1.1
128.07140	0.9
128.08144	1.2
128.95116	0.7
133.02831	2.7
133.10063	2.5
134.06038	0.8
138.06720	2.4
139.03931	1.0
141.05453	27.7
141.07043	1.4
141.12718	1.1
142.08632	1.8
146.96136	1.4
146.98763	0.6
151.03857	2.4
151.07539	1.7
151.11156	2.1
151.14812	6.8
152.07024	1.7
152.08154	1.2
154.06287	1.1
154.07700	2.1
163.97702	1.3
169.04965	13.9
169.07463	2.2
169.08617	3.2
169.10094	4.0
169.12282	1.5
169.15858	9.7
170.05759	0.7
170.08119	4.2
170.09637	2.9
180.57599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0649
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03934	0.9
55.01857	3.4
55.05504	5.2
56.05024	0.5
56.96560	1.8
57.03428	0.6
57.04532	0.3
57.07061	0.3
58.06604	0.5
58.29588	0.4
59.05017	0.4
59.06115	0.7
60.04505	0.5
65.03934	25.9
67.05491	2.0
68.02628	0.5
68.05010	0.6
68.99428	0.7
68.99784	9.8
69.03421	3.2
69.07057	0.7
69.62466	0.8
69.62890	1.8
70.06599	0.8
70.94250	0.8
71.01322	0.6
71.04964	0.6
71.06094	0.5
72.04505	5.1
72.08151	0.5
72.93778	2.7
75.05588	0.5
79.01842	0.7
79.05479	1.1
81.03034	0.4
81.03420	4.1
81.03864	0.5
81.07062	0.6
82.06577	0.6
83.01333	1.0
83.04973	10.7
83.06071	0.8
83.08604	1.4
84.04507	0.8
84.08152	0.5
85.02886	0.6
85.03966	0.4
86.06029	0.4
86.95696	0.4
88.93243	0.4
89.07143	4.0
90.94822	0.9
91.05495	0.4
93.03389	4.4
95.04946	0.8
96.02069	1.6
96.05604	0.4
96.06871	0.4
96.08093	0.4
97.02864	2.2
97.06494	1.1
98.06091	0.5
99.94828	0.5
106.96274	0.4
107.01287	0.4
107.04923	0.7
107.08590	0.5
107.17806	0.3
109.02859	1.2
109.06498	0.4
109.07603	0.3
110.06030	0.5
110.07146	0.3
111.04430	93.3
111.09174	0.9
112.04079	0.4
112.04726	1.8
112.07571	0.4
113.02329	0.8
113.06013	0.3
114.06649	0.5
121.02886	1.5
121.03976	7.2
125.02328	1.9
125.05962	1.6
125.07110	0.8
125.09760	0.4
127.03915	1.1
128.04250	0.4
128.06195	0.8
130.08607	0.4
130.96283	0.6
135.03450	0.5
135.04439	0.7
139.00256	1.5
139.03885	100.0
140.04213	1.7
143.03346	0.7
143.08533	0.5
147.96921	3.7
148.97368	0.8
153.01767	1.3
153.05434	0.8
154.09744	0.6
156.03714	0.6
156.09328	0.6
157.01324	2.0
165.97943	3.0
170.98508	0.4
171.02951	2.0
171.04211	0.5
171.06561	6.0
171.07745	0.5
171.10031	0.6
171.11432	1.0
171.14920	2.4
173.98383	0.5
177.03006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.89025	0.4
53.03926	0.7
55.05503	9.2
57.03411	0.8
58.82510	0.4
59.04974	1.7
59.53302	0.4
60.04505	1.0
65.03914	0.5
67.05496	2.6
68.62323	0.4
69.03403	0.5
70.86044	1.2
71.04951	0.5
72.93770	0.9
79.05467	0.7
81.07030	1.0
83.04964	9.9
84.04478	1.2
85.02885	0.7
87.72280	0.4
89.02358	0.7
90.94794	0.8
91.05463	8.0
92.13508	0.4
93.07008	0.6
97.02869	2.7
99.04463	0.7
101.05989	6.6
103.03254	0.5
103.05422	0.8
105.06359	0.7
105.07016	7.6
109.81618	0.4
111.04430	10.4
113.05968	0.6
114.05476	1.3
115.03912	0.4
115.05429	4.8
116.06203	1.9
117.06984	6.5
119.08560	17.2
119.52602	0.4
127.07497	1.6
128.06194	2.6
128.06976	0.4
129.05492	3.6
129.06969	6.1
130.07800	4.1
131.08542	34.9
132.08894	0.7
133.10104	2.7
142.07774	1.2
143.08531	25.8
144.09341	7.4
145.06451	3.5
145.10095	28.6
146.10423	0.9
155.05894	0.7
155.06998	6.3
155.08488	1.3
156.09317	1.9
157.06470	0.7
157.10086	1.2
158.07286	4.1
158.10880	40.3
159.11217	1.2
169.55676	0.4
171.11667	2.8
173.05948	1.1
173.08124	8.2
173.09584	50.3
173.13223	100.0
174.07616	2.1
174.09949	1.4
174.13625	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.00284	0.2
53.03946	0.2
55.01884	0.2
55.05507	6.2
56.37463	0.2
57.03428	0.9
57.07064	0.4
59.05000	1.8
60.04526	2.1
61.48127	0.2
67.05489	0.6
68.05031	0.5
69.03425	0.8
69.91338	1.2
72.93777	0.9
73.81825	0.2
79.05493	0.7
81.07039	1.2
83.04971	5.8
83.05447	0.5
84.04502	2.0
85.02897	1.0
87.04458	0.7
89.02387	0.4
90.90365	1.2
90.94830	0.5
91.05470	7.3
96.04493	1.1
97.02885	5.3
98.21433	0.4
99.00749	0.3
99.04449	0.4
101.06008	4.0
102.05554	0.5
103.03294	0.7
103.05470	0.3
103.07336	0.2
105.07016	7.2
111.04434	5.1
113.05991	0.9
113.96426	0.2
114.05526	2.1
115.03883	0.4
115.05458	1.0
116.06219	2.2
117.07004	2.5
118.06506	0.3
119.08559	2.1
127.07523	1.0
128.06198	0.6
129.05495	2.9
129.06982	5.4
130.07811	1.5
131.08553	100.0
132.06593	0.2
132.08885	2.1
133.10077	0.4
137.05963	0.3
143.08546	3.6
144.09325	2.9
145.06503	0.3
145.10107	9.4
146.06012	0.4
146.08113	0.3
146.10452	0.3
149.94005	1.1
149.96066	0.3
150.96941	0.3
152.96825	0.3
155.03404	0.4
155.07021	5.1
155.08278	0.3
156.09303	0.7
157.10139	0.3
158.07272	0.5
158.10881	4.3
159.11681	2.9
167.97162	0.6
171.11688	0.7
173.08177	5.8
173.13239	40.3
174.05414	0.3
174.07599	4.2
174.13918	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.87442	0.4
55.05503	7.5
56.38665	0.4
57.03416	0.8
59.04993	1.0
60.04507	1.9
61.57980	0.4
67.05476	1.8
68.05009	0.7
69.03409	1.4
71.02358	0.9
71.04984	0.4
76.02219	0.6
79.05464	0.6
81.07052	0.5
83.04965	8.6
84.04482	1.7
85.02894	1.1
87.04462	0.8
89.02377	0.7
89.65618	0.4
90.90364	1.0
91.05463	4.4
96.04475	1.3
97.02871	3.9
98.98431	0.6
101.06002	6.2
103.03268	1.0
105.07012	4.8
111.03705	0.7
111.04431	8.7
113.05987	0.7
114.05521	1.8
115.05446	1.0
116.06232	1.1
117.07006	2.9
119.08565	15.7
127.07542	1.6
128.06227	0.7
128.07097	0.7
129.05469	5.3
129.06963	5.5
130.07750	1.8
131.08549	34.5
132.08923	1.1
133.10071	2.4
142.07777	0.8
143.08540	18.4
144.09343	7.9
145.06438	0.6
145.10101	25.4
146.10437	0.6
148.49658	0.4
148.65988	0.5
149.94008	1.3
155.07034	6.8
156.09329	1.9
157.10121	0.9
158.07355	0.9
158.10890	33.1
159.11203	1.4
171.11673	2.6
173.08170	8.4
173.13242	100.0
174.07555	4.5
174.08801	0.4
174.13651	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05502	4.7
56.96557	3.9
58.16257	0.3
59.04986	0.9
60.04513	0.8
65.03933	0.4
67.05491	2.2
69.03404	0.6
69.81018	1.9
72.93776	0.8
79.05464	0.7
79.25403	0.3
81.07030	1.3
83.04959	4.6
84.04480	1.1
87.04441	0.4
89.02380	0.4
91.05468	6.5
93.07015	0.4
97.02870	1.5
101.06007	3.3
103.03288	0.4
103.05424	0.5
105.07023	6.3
107.08579	0.8
111.04435	5.1
114.05506	0.6
115.05429	3.3
116.06232	1.0
117.07001	5.8
118.07264	0.4
119.08563	15.3
120.03305	0.5
127.05392	0.3
127.07548	0.5
128.06198	1.5
129.03925	0.4
129.05510	2.1
129.06987	7.1
130.07811	3.7
131.08551	32.9
132.08896	0.9
133.10083	2.8
135.08052	0.5
141.06996	0.5
141.16118	0.3
142.07776	1.3
143.08539	24.5
144.09341	6.1
145.06467	2.9
145.10106	26.1
146.10439	0.9
153.06970	0.3
155.07011	3.7
155.08553	1.1
156.09311	1.3
157.10165	1.6
158.07297	3.8
158.10887	38.0
159.11243	1.4
163.07535	0.5
171.11633	2.9
173.08174	4.5
173.09607	47.1
173.13232	100.0
174.07639	0.9
174.09940	1.7
174.13594	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.84618	0.6
53.03940	1.7
55.05503	33.7
57.03414	2.9
57.07052	1.5
59.04995	6.7
60.04516	8.0
64.30509	0.7
65.03918	0.9
67.05493	4.9
68.04996	1.6
69.03419	4.8
69.07044	1.3
69.53308	4.9
70.95853	1.1
71.04973	0.8
71.06094	0.9
72.04488	0.9
72.08141	1.2
72.93767	6.4
73.02892	1.3
76.02203	1.0
79.05474	2.4
81.03387	0.8
81.07033	3.9
83.04969	36.0
84.04499	6.7
85.02877	3.4
85.06526	0.9
86.06042	0.9
87.04441	2.8
89.02370	2.2
90.94830	3.7
91.05465	13.4
93.07004	1.1
93.63741	0.8
95.04955	1.2
95.08572	0.8
96.04460	3.5
97.02269	1.2
97.02876	18.2
98.21442	0.7
99.04433	2.1
101.06005	26.8
103.03266	2.3
103.05428	1.2
105.07015	14.0
108.95821	1.8
109.10142	0.9
111.04425	34.0
111.09199	1.0
111.98448	0.8
112.04716	0.8
113.02362	1.1
113.05984	3.2
114.05511	7.6
115.03896	2.5
115.05453	3.8
115.08694	1.0
116.06203	2.8
117.07012	8.7
118.06528	0.8
119.08560	15.6
127.07504	5.3
128.06187	2.4
129.05466	21.9
129.06967	11.4
129.99504	0.7
130.07805	4.1
131.08546	84.4
131.97388	0.8
132.08852	1.9
132.95872	1.5
133.10110	3.0
137.05980	1.3
142.07713	0.8
143.08539	25.8
144.09341	8.4
145.06453	2.7
145.10100	32.2
146.06000	2.9
146.07076	0.8
146.10414	1.0
149.96094	1.1
150.96867	4.9
155.07014	28.6
155.08383	1.9
156.09323	1.9
157.10077	1.7
158.07242	2.7
158.10883	38.5
159.07967	1.4
159.11256	1.4
167.97163	1.6
171.11661	2.2
173.05869	2.1
173.08134	36.2
173.09637	3.5
173.13235	100.0
173.98520	1.1
174.05515	2.3
174.07571	14.7
174.08795	0.9
174.13556	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	174.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53062	0.4
55.01865	0.6
55.05500	1.2
55.93510	0.4
56.05018	1.7
56.05825	0.8
56.96287	0.5
56.96560	9.3
57.03428	2.8
58.06586	0.5
59.05019	0.4
59.06098	1.2
60.04208	0.5
60.04517	9.0
60.07684	0.4
61.02902	1.0
64.45385	0.4
65.03923	2.5
66.35911	0.4
68.05009	1.5
69.03416	4.6
69.07066	0.7
70.06573	2.2
70.45886	1.1
70.46285	0.7
70.95850	7.0
71.04980	0.5
71.39640	0.5
72.00277	0.4
72.04504	1.0
72.08147	0.6
72.93781	7.2
73.02886	0.7
74.97620	0.4
75.05582	0.7
79.05464	0.6
80.04992	1.0
82.06567	0.5
83.04964	1.8
83.06077	0.6
83.97635	0.5
84.04504	5.4
84.05299	1.2
84.08151	0.6
85.02892	4.7
85.04008	0.6
86.06049	1.5
87.04448	0.5
87.05581	0.7
88.96885	2.4
90.94820	3.5
91.05472	14.7
91.47508	0.4
92.05829	0.7
95.04952	0.7
96.04504	2.4
97.02878	18.3
98.06045	0.4
98.97580	2.4
98.98454	10.8
99.05592	0.6
100.03994	0.5
100.07616	0.6
102.05510	1.6
102.53133	0.5
103.05463	0.9
108.95837	0.9
110.06029	0.9
111.04424	1.6
111.08009	0.4
111.53605	2.9
111.98455	5.0
112.04731	1.1
112.07595	3.0
113.96355	0.8
113.98629	1.9
114.01514	0.5
114.05519	6.3
115.03915	1.9
115.04995	0.7
115.08619	0.5
116.04977	0.5
116.98655	2.2
116.99411	0.5
117.05738	7.7
118.06530	24.0
119.01833	0.7
119.04951	0.9
119.06837	1.0
120.08053	0.6
124.60167	0.4
126.06599	0.9
128.04953	1.5
128.07057	1.5
128.98569	0.8
129.05513	0.6
129.99518	3.6
130.06544	3.0
130.08629	2.5
131.04903	1.0
131.96135	1.4
131.97401	2.9
131.99669	3.8
132.04454	3.9
132.06578	0.9
132.08084	0.6
132.95821	11.2
133.05217	0.9
134.99660	1.0
138.54131	0.6
139.34807	0.4
144.54092	0.5
145.05258	0.8
145.07607	0.7
146.05989	100.0
147.04381	1.2
147.05406	0.7
147.06361	3.9
147.09175	0.5
148.07553	3.9
149.97176	1.2
149.98448	2.6
150.00748	4.0
150.96861	26.6
153.00938	0.5
155.97403	4.0
156.03282	0.6
156.04419	1.1
156.06425	1.7
156.07509	1.3
157.05090	0.5
157.07616	4.5
158.05963	3.1
158.08344	0.5
159.06758	0.8
160.03941	3.1
167.97206	0.6
168.97929	1.1
173.04836	0.5
173.06866	1.8
173.98473	7.4
174.04370	1.7
174.05501	42.2
174.07559	21.2
174.12645	2.8
175.06386	4.8
175.08661	28.5
186.04369	1.9
189.04576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.076
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.11337	0.6
53.03938	1.1
55.01865	1.0
55.05499	1.0
56.05029	3.2
56.05836	0.9
57.03427	8.8
57.07067	0.7
58.02960	0.8
59.04991	0.6
60.04517	45.8
61.02920	2.2
67.05476	0.6
68.05019	6.0
69.03419	16.9
70.06589	1.2
70.82940	1.8
72.04497	0.9
72.93799	0.7
75.17548	0.5
81.07030	2.4
83.05000	1.3
84.04492	33.9
84.05286	1.0
85.02891	15.7
86.06061	4.3
87.04456	1.1
90.04842	0.6
91.05473	4.6
93.07005	1.5
95.08589	1.7
96.04482	15.7
97.02879	100.0
98.03212	1.3
98.98454	20.5
100.03960	1.1
101.06000	0.6
102.05533	8.4
103.05421	0.8
104.47671	0.5
105.07014	4.4
107.08526	0.9
111.04453	1.1
111.34208	0.6
111.51317	0.7
111.67303	0.6
112.04725	1.4
114.05515	40.2
115.03911	8.8
115.05407	1.5
118.06519	1.4
119.07791	0.7
119.08575	9.8
127.03951	1.0
128.07036	1.7
128.10579	0.6
129.06979	0.9
131.08519	1.3
132.05672	0.9
132.06538	4.8
132.08078	1.7
132.08931	1.2
132.95819	1.0
133.10123	6.5
138.05481	1.7
142.07719	0.7
146.05998	2.1
146.08101	1.3
146.10539	1.1
147.04332	0.9
147.07962	1.0
147.11671	1.9
150.96841	2.0
156.06509	2.0
157.10034	0.7
160.05167	2.3
160.08812	1.0
174.07591	66.5
174.12547	4.1
174.18533	0.8
175.03893	0.7
175.07533	6.4
175.11157	3.7
175.14778	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03928	1.4
53.23436	0.5
55.01862	1.3
55.05504	3.2
56.05029	4.0
56.05836	1.4
56.96552	2.1
57.03175	0.8
57.03431	11.3
58.02955	0.7
58.06583	0.8
59.04993	0.7
59.06114	1.0
60.04520	47.6
61.02915	1.9
65.03933	1.4
67.05495	1.7
68.05029	5.4
69.03423	17.6
69.07065	3.1
70.06576	1.5
70.95847	3.2
71.04979	0.8
71.19704	0.9
72.04485	0.8
72.93784	3.8
75.05592	0.7
79.05492	1.4
81.07050	3.7
82.06572	1.3
83.04972	1.7
83.08615	1.0
84.04498	37.9
84.05309	2.2
85.02895	19.9
85.03410	0.9
85.04817	0.9
86.06055	4.6
87.05576	1.7
88.53532	0.6
89.03925	1.1
90.94833	2.1
91.03929	1.2
91.05473	16.2
92.05830	0.9
93.07035	2.0
95.04948	0.7
95.08598	2.8
96.04485	15.7
97.02883	100.0
98.03220	1.1
98.06015	0.7
98.98458	23.6
99.05600	0.8
99.90883	0.6
100.03989	0.9
100.07603	0.6
101.05995	1.1
102.05538	9.0
102.06251	1.1
103.05465	1.0
103.21926	0.6
104.06249	0.7
105.07020	12.3
106.07330	0.6
107.08585	2.2
110.06041	0.6
111.04459	1.1
111.98460	2.5
112.04774	2.2
114.05521	40.0
115.03924	9.4
115.05474	1.8
116.06263	0.6
116.07071	0.7
116.98587	0.6
117.05785	0.8
117.07017	2.4
118.06541	2.1
118.07300	0.7
119.04933	5.1
119.08570	18.7
120.08910	1.2
126.05492	0.9
126.06631	1.3
127.03966	1.2
128.03394	0.7
128.05078	1.0
128.06172	1.0
128.07076	1.9
129.05510	0.8
129.07013	2.8
129.99503	1.5
130.05783	1.3
130.06577	0.9
130.07388	0.7
131.04933	1.4
131.07295	0.6
131.08578	5.2
131.97427	1.4
132.05663	0.8
132.06552	4.1
132.08064	1.8
132.08932	4.0
132.95834	5.0
133.06477	0.7
133.10118	21.3
134.07091	0.7
134.60983	0.6
138.05508	1.6
139.03867	0.8
144.06636	0.7
144.08920	2.4
145.06488	1.6
145.10057	1.9
146.06033	2.8
146.07074	0.8
146.08144	1.0
146.10512	2.1
147.04399	4.1
147.08072	1.6
147.11653	3.8
149.98500	0.7
150.96869	11.8
155.97446	1.5
156.06384	1.2
156.07393	2.0
157.07680	0.8
157.09978	0.8
159.04483	1.0
159.08049	10.3
159.11334	2.9
160.05177	3.4
160.08794	0.9
168.97951	0.7
173.05971	0.9
173.09648	1.7
173.98485	3.0
174.07631	72.5
174.10330	5.0
174.12695	2.0
174.13861	7.1
175.03934	2.4
175.07529	10.9
175.11093	3.4
175.14789	15.9
175.16209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
50.39269	0.6
50.64413	0.7
51.22940	0.7
53.03936	1.9
54.68045	0.7
55.01877	4.5
55.05503	11.4
56.05034	3.6
56.05822	1.5
56.16255	0.7
56.96560	22.2
57.03431	10.7
57.07076	1.3
58.06586	2.3
58.79359	0.8
59.04992	0.8
60.04515	9.7
60.05647	6.2
60.95839	0.7
61.02909	2.6
65.03927	8.4
66.04723	1.2
67.04247	0.7
67.05495	21.9
68.05032	5.8
68.05358	1.1
68.99772	1.3
69.03418	9.9
69.07050	2.2
69.28821	6.1
69.29224	1.6
70.02940	1.9
70.06582	100.0
70.95856	4.4
71.01353	1.8
71.04977	3.1
71.95260	0.7
72.04493	2.8
72.08147	1.9
72.93786	4.0
73.02907	4.8
74.02428	2.7
74.06044	1.0
74.97581	1.4
79.05482	9.5
80.05009	2.3
81.03409	4.2
81.05797	1.0
81.07027	1.2
81.99947	0.8
82.02956	2.3
82.04177	2.0
82.06570	25.4
83.00800	0.8
83.01301	1.1
83.04971	23.2
83.06912	0.7
83.70348	0.6
84.04488	11.4
84.05315	1.8
84.08121	5.8
85.02888	9.2
86.06057	13.6
86.09687	1.2
87.04476	0.8
88.96881	1.2
90.94826	1.4
91.00487	1.3
91.05467	6.0
92.04978	2.0
93.03389	7.3
93.07034	13.1
93.96568	0.7
94.01776	0.9
94.06552	13.3
95.01305	0.7
95.04956	18.8
95.07327	1.8
95.08595	3.2
96.04477	4.4
96.05283	0.7
96.08128	5.5
97.02352	0.8
97.02876	21.7
97.06517	6.9
98.03729	1.0
98.06053	2.0
98.06754	0.7
98.97592	5.3
98.98449	20.5
99.04457	1.3
99.06842	1.2
100.03951	2.3
100.07609	9.6
101.00843	2.3
101.02392	1.1
101.06014	1.2
102.05514	3.3
102.06284	0.7
103.02377	3.7
103.05441	2.5
105.00173	1.2
105.02037	0.8
105.04482	1.0
105.07009	1.2
107.00751	0.8
107.03411	0.9
107.04956	0.7
108.04452	1.1
108.08092	3.3
109.02887	0.9
109.05267	1.7
109.06512	0.7
109.08912	1.1
110.01242	1.0
110.02406	1.7
110.03641	1.6
110.06038	20.8
110.09667	23.4
111.02847	1.4
111.04427	21.2
111.08063	4.4
111.98453	3.6
112.04762	2.1
112.07588	36.5
113.02381	1.0
113.04723	0.7
113.06015	1.7
114.00787	1.1
114.01536	0.8
114.05511	25.8
114.09136	3.3
115.03889	2.9
115.08655	1.4
116.01299	0.9
116.07075	10.3
116.98624	4.2
118.06520	2.7
119.01883	14.0
119.08558	2.0
120.01927	1.0
120.04496	0.8
120.08090	22.9
121.01615	1.2
121.02809	6.0
121.06496	13.7
123.02888	0.7
125.04472	3.4
126.05457	1.7
127.03872	2.1
127.04884	1.0
128.02391	1.0
128.03400	13.5
128.05363	2.2
128.07060	20.0
128.10695	3.5
128.98616	1.1
129.01845	1.2
129.03821	0.9
129.10239	1.3
129.99464	1.7
130.08691	0.9
130.09727	2.2
131.01869	2.5
131.96144	2.4
131.97527	0.9
131.99707	1.1
132.05081	0.9
132.06541	4.0
132.08031	0.8
132.95815	8.4
133.03477	3.1
134.99625	1.7
136.07599	1.2
137.02936	3.3
138.03114	1.1
138.05484	3.1
138.09120	53.5
139.03883	20.5
139.07530	9.6
139.09480	1.4
140.04172	0.7
143.01854	1.4
145.03415	1.9
146.05956	7.3
146.08104	1.7
146.99588	1.3
147.04329	0.8
149.97185	2.8
149.98387	1.0
150.00732	1.2
150.06087	0.9
150.96852	12.7
150.99126	0.7
151.00653	2.0
151.02414	0.9
151.04488	1.9
155.01912	1.3
155.97383	2.1
156.06461	8.8
156.10175	84.6
157.01852	0.7
157.03436	1.7
157.04936	3.3
157.08580	15.6
157.10541	2.4
158.09215	1.7
161.02921	2.4
162.98973	0.8
163.04533	0.9
169.00311	1.2
169.01714	7.8
169.03416	4.1
173.02994	1.5
173.98474	3.8
174.03952	4.7
174.05666	2.4
174.05949	2.5
174.07533	22.6
174.11240	96.1
174.12642	4.6
175.02438	0.8
175.04437	3.7
175.05905	1.1
175.12001	3.8
175.14590	0.9
185.01263	0.9
185.02966	2.4
186.03085	0.7
187.02748	4.2
187.04497	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	174.1123
Annotation	Hyacinthacine A1
Peak:m/z	Relative Intensity
50.01591	0.7
50.39269	0.6
50.64413	0.7
51.22940	0.7
53.03936	1.9
54.68045	0.7
55.01877	4.5
55.05503	11.4
56.05034	3.6
56.05822	1.5
56.16255	0.7
56.96560	22.2
57.03431	10.7
57.07076	1.3
58.06586	2.3
58.79359	0.8
59.04992	0.8
60.04515	9.7
60.05647	6.2
60.95839	0.7
61.02909	2.6
65.03927	8.4
66.04723	1.2
67.04247	0.7
67.05495	21.9
68.05032	5.8
68.05358	1.1
68.99772	1.3
69.03418	9.9
69.07050	2.2
69.28821	6.1
69.29224	1.6
70.02940	1.9
70.06582	100.0
70.95856	4.4
71.01353	1.8
71.04977	3.1
71.95260	0.7
72.04493	2.8
72.08147	1.9
72.93786	4.0
73.02907	4.8
74.02428	2.7
74.06044	1.0
74.97581	1.4
79.05482	9.5
80.05009	2.3
81.03409	4.2
81.05797	1.0
81.07027	1.2
81.99947	0.8
82.02956	2.3
82.04177	2.0
82.06570	25.4
83.00800	0.8
83.01301	1.1
83.04971	23.2
83.06912	0.7
83.70348	0.6
84.04488	11.4
84.05315	1.8
84.08121	5.8
85.02888	9.2
86.06057	13.6
86.09687	1.2
87.04476	0.8
88.96881	1.2
90.94826	1.4
91.00487	1.3
91.05467	6.0
92.04978	2.0
93.03389	7.3
93.07034	13.1
93.96568	0.7
94.01776	0.9
94.06552	13.3
95.01305	0.7
95.04956	18.8
95.07327	1.8
95.08595	3.2
96.04477	4.4
96.05283	0.7
96.08128	5.5
97.02352	0.8
97.02876	21.7
97.06517	6.9
98.03729	1.0
98.06053	2.0
98.06754	0.7
98.97592	5.3
98.98449	20.5
99.04457	1.3
99.06842	1.2
100.03951	2.3
100.07609	9.6
101.00843	2.3
101.02392	1.1
101.06014	1.2
102.05514	3.3
102.06284	0.7
103.02377	3.7
103.05441	2.5
105.00173	1.2
105.02037	0.8
105.04482	1.0
105.07009	1.2
107.00751	0.8
107.03411	0.9
107.04956	0.7
108.04452	1.1
108.08092	3.3
109.02887	0.9
109.05267	1.7
109.06512	0.7
109.08912	1.1
110.01242	1.0
110.02406	1.7
110.03641	1.6
110.06038	20.8
110.09667	23.4
111.02847	1.4
111.04427	21.2
111.08063	4.4
111.98453	3.6
112.04762	2.1
112.07588	36.5
113.02381	1.0
113.04723	0.7
113.06015	1.7
114.00787	1.1
114.01536	0.8
114.05511	25.8
114.09136	3.3
115.03889	2.9
115.08655	1.4
116.01299	0.9
116.07075	10.3
116.98624	4.2
118.06520	2.7
119.01883	14.0
119.08558	2.0
120.01927	1.0
120.04496	0.8
120.08090	22.9
121.01615	1.2
121.02809	6.0
121.06496	13.7
123.02888	0.7
125.04472	3.4
126.05457	1.7
127.03872	2.1
127.04884	1.0
128.02391	1.0
128.03400	13.5
128.05363	2.2
128.07060	20.0
128.10695	3.5
128.98616	1.1
129.01845	1.2
129.03821	0.9
129.10239	1.3
129.99464	1.7
130.08691	0.9
130.09727	2.2
131.01869	2.5
131.96144	2.4
131.97527	0.9
131.99707	1.1
132.05081	0.9
132.06541	4.0
132.08031	0.8
132.95815	8.4
133.03477	3.1
134.99625	1.7
136.07599	1.2
137.02936	3.3
138.03114	1.1
138.05484	3.1
138.09120	53.5
139.03883	20.5
139.07530	9.6
139.09480	1.4
140.04172	0.7
143.01854	1.4
145.03415	1.9
146.05956	7.3
146.08104	1.7
146.99588	1.3
147.04329	0.8
149.97185	2.8
149.98387	1.0
150.00732	1.2
150.06087	0.9
150.96852	12.7
150.99126	0.7
151.00653	2.0
151.02414	0.9
151.04488	1.9
155.01912	1.3
155.97383	2.1
156.06461	8.8
156.10175	84.6
157.01852	0.7
157.03436	1.7
157.04936	3.3
157.08580	15.6
157.10541	2.4
158.09215	1.7
161.02921	2.4
162.98973	0.8
163.04533	0.9
169.00311	1.2
169.01714	7.8
169.03416	4.1
173.02994	1.5
173.98474	3.8
174.03952	4.7
174.05666	2.4
174.05949	2.5
174.07533	22.6
174.11240	96.1
174.12642	4.6
175.02438	0.8
175.04437	3.7
175.05905	1.1
175.12001	3.8
175.14590	0.9
185.01263	0.9
185.02966	2.4
186.03085	0.7
187.02748	4.2
187.04497	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	175.1076
Annotation	N-Acetylornithine
Peak:m/z	Relative Intensity
50.95184	0.2
52.77993	0.1
55.01859	0.3
56.96551	0.5
57.03420	0.6
60.04518	0.4
60.05638	1.9
67.05489	0.2
68.05023	0.2
69.03416	0.3
70.06583	100.0
70.51103	0.4
70.51502	0.3
71.04986	1.0
71.06921	1.1
72.08139	0.5
73.02904	0.7
84.08120	1.1
85.02894	0.3
87.04453	0.7
87.99696	0.2
88.07607	0.5
93.03355	0.2
97.02882	0.4
98.06046	2.4
98.20777	0.2
98.97558	0.2
98.98447	0.3
100.03973	0.1
101.00864	0.5
103.02406	0.6
103.05429	0.2
110.04546	0.2
112.07590	45.2
113.07927	0.8
115.08675	1.7
116.07075	10.8
119.01897	2.4
120.01930	0.2
120.03398	0.2
121.01649	0.5
121.03429	0.2
121.57310	0.2
122.36763	0.1
129.10219	2.1
129.11089	0.2
130.06523	1.0
130.08617	1.1
130.09731	0.6
130.12230	0.2
131.01880	0.3
132.02075	0.2
133.01680	0.3
133.03485	0.9
133.09769	0.2
134.08122	0.2
137.02913	0.8
140.07059	0.2
143.01869	0.3
145.01605	0.2
145.03429	0.4
148.07538	0.2
151.04501	0.3
153.04004	0.3
157.03419	0.2
157.09700	0.3
158.06044	0.7
158.08076	0.5
158.09251	0.3
161.02960	0.7
163.02693	0.3
171.04988	0.8
173.02948	0.3
174.03090	0.2
175.02982	0.3
175.04485	1.2
175.06163	0.6
175.08641	0.5
175.10733	2.6
175.11952	0.6
176.07053	2.5
176.08607	0.3
176.09135	0.3
177.22263	0.2
185.02858	0.2
186.03094	0.3
187.03044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.29231	0.5
53.03935	1.1
55.01860	1.2
55.05504	5.7
57.03418	1.0
57.21714	0.5
60.04491	0.9
60.05640	0.7
61.04869	0.7
65.03919	0.8
67.05491	6.1
69.03399	2.5
69.07062	7.1
70.03757	0.6
70.06570	1.9
71.17303	1.4
77.03907	0.7
79.05480	9.4
81.03408	1.0
81.07045	25.3
83.04940	1.2
83.08604	2.2
85.02880	1.4
87.04417	0.6
91.05466	21.5
92.05776	0.7
92.90046	0.6
93.06455	0.8
93.07024	10.0
95.04947	1.9
95.08592	11.4
97.02885	2.1
98.03223	2.2
98.98451	46.4
103.05436	2.1
105.07014	54.0
106.07361	1.2
107.04910	1.8
107.08569	9.9
111.04405	1.2
115.05482	2.1
116.99476	1.7
117.07011	6.5
119.04935	2.3
119.08566	56.7
120.08878	0.9
121.06486	5.8
121.10133	1.0
127.03899	1.3
128.06247	1.4
129.06985	6.3
131.04913	1.1
131.08556	9.2
132.05702	0.8
132.09300	2.3
133.06476	17.9
133.10107	40.2
135.08035	1.3
140.01057	0.7
141.06949	2.4
142.07761	17.1
145.06488	6.3
145.10083	6.1
146.07257	6.9
146.10866	1.8
147.04381	1.0
147.08031	10.2
147.11655	17.2
151.93829	1.2
157.10106	15.0
158.07275	0.7
159.08000	2.9
159.11618	1.1
160.08815	18.4
160.12407	3.4
161.09593	14.5
173.13243	1.6
175.03879	1.7
175.07907	5.1
175.11168	100.0
175.14789	75.0
176.07089	1.8
176.11572	3.1
176.15163	1.5
178.93567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03949	0.7
53.44511	0.7
55.01851	0.9
55.05506	12.2
57.03411	0.7
57.07064	1.0
59.75752	0.7
60.04497	0.9
64.16163	0.6
65.03943	1.5
67.05505	4.8
69.03408	2.1
69.07065	18.0
69.68865	2.1
69.69279	2.4
70.06590	2.6
72.40560	0.6
72.93798	0.8
79.05495	5.0
81.07053	20.6
83.04951	0.8
83.08628	5.1
91.04890	1.1
91.05472	22.9
92.05809	0.9
93.07045	9.5
95.04964	0.7
95.08601	13.6
97.02884	2.0
98.98460	28.6
99.71078	0.6
103.05473	2.5
105.07024	56.7
106.07391	0.8
107.04930	1.7
107.08591	10.9
109.10137	1.0
110.22927	0.8
111.04420	0.8
115.05443	18.9
116.04386	0.7
116.06303	1.2
116.97180	0.6
116.99480	0.9
117.07008	8.9
118.06509	2.0
119.04928	1.9
119.08570	100.0
120.08914	3.0
121.06531	1.0
121.10144	2.5
124.23677	0.7
125.02386	0.7
127.03902	1.6
128.06221	2.0
129.07007	4.3
130.06561	4.6
131.04904	1.2
131.08556	11.2
132.05692	3.6
133.06482	4.4
133.10120	71.1
134.10466	2.3
135.07944	1.0
139.03928	0.8
142.07745	1.9
143.04897	3.6
143.07181	0.8
144.05688	4.5
145.06474	1.6
145.10104	6.5
146.10895	4.3
147.04381	2.8
147.08049	4.8
147.11682	22.1
148.08682	0.8
157.10097	3.1
158.06000	1.0
160.05183	29.7
160.08501	3.3
160.12480	2.6
161.05659	1.2
173.13324	1.2
175.07530	41.4
175.11139	10.4
175.14813	88.4
176.06799	1.0
176.08081	1.5
176.15219	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.59132	0.5
53.03938	1.5
55.01863	0.9
55.05503	8.1
56.96550	1.5
57.07075	1.3
59.06105	0.6
65.03929	1.3
67.05492	2.8
69.03424	1.2
69.07061	20.7
70.06584	5.6
70.93542	1.2
70.93885	0.6
72.93791	0.6
75.05541	0.6
77.03915	0.8
79.05482	4.8
81.07049	4.6
82.72895	0.5
83.04961	1.8
83.08597	3.9
85.02897	1.8
88.87689	0.6
91.05466	26.0
92.05792	0.6
93.04501	0.5
93.07015	4.4
95.04926	1.3
95.08591	6.3
97.02884	2.8
98.03708	0.6
98.98454	26.0
103.05460	2.4
104.06241	0.7
105.07014	30.4
106.07333	0.8
107.04939	14.4
107.08578	6.7
111.04414	1.8
112.07586	1.8
115.05434	3.1
117.06994	6.1
118.06537	1.3
119.04931	1.5
119.08562	100.0
120.08859	3.2
121.10128	3.0
127.03937	0.7
128.06216	1.6
128.58163	0.5
128.69893	0.5
129.06985	4.1
130.06490	3.2
131.04903	1.9
131.08545	6.7
132.05696	7.0
132.09308	0.9
133.06491	7.8
133.10112	74.6
134.10460	2.2
135.07875	0.9
135.11674	1.0
139.03940	0.9
142.07755	0.9
143.04828	0.6
145.06448	2.1
145.10097	8.9
146.06004	1.8
146.10912	1.2
147.04370	2.5
147.08022	42.6
147.11664	12.7
148.08479	2.2
150.96944	1.0
157.06450	2.1
157.07617	1.8
157.10081	1.6
158.05969	1.3
159.11707	1.0
160.05145	3.9
160.08826	0.6
160.12509	3.7
173.13216	2.4
175.03889	1.2
175.07497	17.3
175.11258	5.0
175.14796	87.6
176.07076	1.8
176.15176	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77687	0.4
53.03923	0.7
53.88387	0.4
55.05505	4.0
57.03428	1.0
65.03941	0.6
67.05492	3.6
69.03412	0.8
69.07058	4.8
69.53937	1.2
69.54366	2.1
70.06566	1.3
79.05476	4.4
81.07047	28.8
82.07379	0.6
83.08611	1.3
85.02896	1.0
89.23195	0.4
91.05469	13.1
93.07031	9.0
95.04955	0.5
95.08595	20.9
96.08912	0.6
97.02887	1.0
98.03190	0.9
98.98452	24.5
101.43400	0.5
103.05464	1.4
104.06213	0.5
105.07017	40.1
106.07339	1.2
107.04994	0.5
107.08588	6.9
109.10138	1.3
116.99487	0.7
117.06998	2.9
118.07813	0.6
119.04911	0.8
119.08566	56.7
120.08105	0.4
120.08910	1.4
121.10110	0.8
129.07001	0.7
131.04913	4.8
131.08568	3.8
133.10112	100.0
134.10463	4.1
139.03946	0.6
142.07761	0.9
145.10098	1.8
146.10854	0.9
147.04395	0.7
147.08049	0.7
147.11684	12.2
148.12047	0.6
148.68373	0.5
152.06706	0.5
157.10107	1.0
160.08862	0.7
160.12466	0.9
161.04655	0.5
175.03867	0.6
175.07413	3.2
175.11220	4.2
175.14807	50.4
176.07063	0.7
176.15161	2.2
187.95149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	1.2
54.18209	1.1
54.74020	1.0
55.05500	7.3
67.05484	3.8
69.07053	11.0
70.64744	1.1
70.85423	1.6
70.85733	1.3
79.05499	6.8
81.06570	1.9
81.07047	32.8
83.08604	2.5
91.05465	19.9
91.46123	0.9
93.07035	9.6
95.04971	0.9
95.08597	19.4
98.98457	8.2
103.05487	1.9
105.07020	80.0
106.07335	1.9
107.08597	11.4
109.10174	1.2
115.05392	1.0
117.07004	6.2
119.08568	100.0
120.08883	1.2
129.06975	1.3
129.41348	0.9
131.08551	5.8
132.09367	2.1
133.09097	2.3
133.10112	48.3
134.10408	1.1
145.10106	5.2
146.10846	2.0
147.11671	10.3
160.12422	3.4
173.13339	1.1
175.14804	83.3
176.15158	3.6
187.28848	0.9
188.64514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11966	0.1
53.03925	0.2
55.05505	0.4
56.25170	0.1
57.03439	0.2
63.02321	0.1
65.03932	0.1
67.05492	0.2
69.07055	0.4
69.66638	0.2
69.67038	0.7
70.06580	0.2
75.13581	0.1
76.46308	0.1
79.05486	0.5
81.07045	0.8
91.05466	2.1
91.06007	0.2
93.07035	0.9
95.08585	0.5
95.09124	0.1
97.02880	0.3
98.03178	0.2
98.98457	3.6
103.05466	0.2
105.07019	6.2
106.07386	0.2
107.08586	0.3
108.57002	0.1
110.96339	0.1
115.05457	0.5
117.07031	0.5
118.07787	0.8
119.08570	5.3
120.08866	0.1
129.06981	0.2
131.08565	1.1
133.10114	100.0
134.10448	3.1
142.07748	0.2
144.09280	0.2
145.10129	0.4
147.08032	0.3
147.11652	0.7
148.03879	0.1
157.04243	0.1
157.10222	0.1
160.12225	0.1
175.07640	0.3
175.11206	0.8
175.14804	5.4
176.06960	0.1
176.15176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
52.76091	0.8
55.05509	10.3
55.07926	0.6
57.07069	3.4
58.06590	0.9
58.07401	1.5
61.97981	0.8
62.06074	2.9
67.05495	3.6
69.03426	0.8
69.07061	24.7
69.65585	4.2
70.06570	0.8
71.08623	1.3
72.08966	1.7
72.46461	0.7
74.74648	0.7
79.05471	4.9
81.02625	0.7
81.07049	15.8
82.13496	0.7
83.08598	4.8
88.49716	0.7
91.05467	15.9
93.07021	7.8
95.08606	12.4
97.02874	0.7
98.98460	18.0
103.05437	1.8
105.07019	42.3
106.07336	1.1
107.08584	10.4
111.04444	0.9
115.05444	4.8
117.07012	6.1
119.08567	95.2
120.08913	3.1
121.10134	4.4
124.30699	0.7
129.06944	1.1
131.08551	9.2
132.09334	0.9
133.10115	99.3
134.10382	3.3
135.11696	0.7
142.07747	1.0
143.04895	1.0
145.10081	6.9
146.10899	2.0
147.04440	1.2
147.08038	1.7
147.11678	14.3
157.10106	1.1
157.17871	2.0
159.11537	0.7
160.05180	5.5
160.12469	4.4
162.15974	0.8
173.13203	2.4
175.03941	0.8
175.07530	11.4
175.11342	4.9
175.14803	100.0
175.18852	17.7
176.08080	0.8
176.15167	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.36693	1.1
50.53829	1.3
52.28586	1.4
53.03928	2.0
55.01858	2.3
55.05503	7.8
57.03420	3.2
60.04526	1.8
60.05640	1.4
63.23193	1.4
65.03921	1.8
67.05479	5.5
69.03418	3.8
69.07052	11.2
70.06571	7.7
71.53158	1.5
79.05487	6.6
81.07050	27.6
81.87538	1.5
83.04947	4.0
85.02882	4.1
87.04461	2.3
89.85104	1.3
91.05470	34.1
92.05761	2.0
92.90055	2.5
93.07017	9.1
95.04958	1.7
95.08592	17.4
97.02889	8.1
98.03166	3.6
98.03727	2.5
98.98453	99.8
103.05429	3.7
105.07017	52.2
106.07323	2.3
107.04910	1.7
107.08591	10.7
111.04433	3.9
115.03899	3.4
115.05414	4.3
116.06216	3.1
116.97170	2.0
116.99480	4.9
117.07008	7.6
119.04907	3.2
119.08563	85.6
120.08843	1.6
121.06496	3.6
121.10159	1.9
127.03894	4.1
128.06232	2.5
129.06949	10.1
130.06505	3.0
131.08540	18.2
132.05687	1.5
133.06462	5.6
133.10106	54.0
141.06870	2.0
142.07755	11.8
145.06473	2.0
145.10109	7.9
146.10910	2.2
147.04375	5.1
147.08038	11.1
147.11685	16.1
148.07516	1.5
151.93846	4.4
157.10101	18.3
160.05232	2.9
160.08836	7.0
160.12360	5.3
173.13293	1.7
175.03879	2.9
175.07495	25.2
175.11159	45.3
175.14796	100.0
176.03474	1.9
176.06940	6.9
176.11687	1.5
176.15111	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	176.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70005	0.5
56.05021	0.9
56.96562	4.2
57.93546	1.1
58.99843	0.7
59.06137	2.4
59.06366	0.5
59.99958	0.5
60.04501	0.9
69.03401	0.7
69.84786	2.5
71.95259	0.6
72.08199	0.5
75.05585	1.1
77.00903	0.9
80.23757	0.5
81.03402	0.6
83.04999	0.5
85.02888	0.7
87.05541	0.8
89.03889	2.5
91.05446	1.4
93.07014	0.7
93.95631	0.8
95.01920	0.6
98.00890	1.0
98.96124	0.7
98.97556	14.4
98.98438	5.2
100.02457	2.2
101.00845	2.3
101.07137	0.7
102.00961	0.5
103.00591	0.6
103.05424	0.5
104.02501	1.1
105.02173	0.5
105.07039	0.9
106.06541	0.7
113.00829	1.2
115.02386	0.9
116.01095	0.7
116.01929	12.6
116.02702	1.0
116.97256	7.5
116.98608	18.5
117.03344	2.4
118.02731	0.7
118.03508	7.4
118.06515	0.6
119.01911	24.8
120.01999	3.8
120.03232	0.6
120.08919	0.7
121.00934	0.7
121.01662	6.9
122.03547	2.1
130.03520	1.1
130.06459	1.0
131.01889	9.3
131.08510	0.5
131.99545	1.3
132.05061	0.6
133.03450	2.0
133.04442	0.7
134.02962	100.0
134.10454	0.8
134.99646	24.4
135.03270	4.1
135.04134	0.8
136.02698	0.5
136.04546	3.9
136.07382	0.6
137.01953	0.7
137.02957	13.5
137.04611	0.8
138.03038	2.8
139.02641	3.1
139.98679	0.6
140.00163	0.9
141.04961	0.5
142.03481	2.0
145.02760	2.7
146.03557	1.5
148.04588	0.8
148.07552	1.0
148.96225	0.7
149.02925	1.2
149.05949	1.7
149.08221	0.6
150.06068	0.7
152.02261	2.5
152.03989	22.9
152.05917	1.9
152.96889	3.2
153.00696	5.0
153.02861	0.7
153.04073	1.9
153.05191	0.6
154.03494	4.8
157.04590	6.2
158.01242	1.7
158.02962	6.0
158.04199	0.6
158.04817	0.9
160.04547	1.0
164.04616	1.0
167.04576	0.7
170.03239	1.0
170.98051	0.7
171.01367	13.4
171.05014	2.8
171.06223	0.7
172.04517	1.8
175.98465	3.5
176.02292	1.0
176.04118	19.0
176.05843	3.6
176.07104	1.7
176.09216	0.7
177.00894	1.7
177.04128	1.9
177.05437	1.4
189.02423	7.0
189.05978	0.8
194.03047	2.0
194.05089	6.6
194.06868	1.9
195.04677	0.7
199.05635	1.8
199.07281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24913	0.6
56.05014	1.0
56.96550	6.6
57.93556	1.3
58.99850	1.4
59.06103	1.0
60.83836	0.7
61.08388	0.7
70.07980	2.9
75.05581	0.7
75.94556	1.1
77.00894	1.7
81.03358	0.7
93.03360	0.9
98.00917	0.9
98.97572	24.8
98.98457	1.9
100.02462	2.9
101.00862	2.5
103.00584	2.0
104.02502	1.5
105.02203	0.9
113.00825	1.4
115.02454	1.5
116.01931	15.9
116.97257	8.8
116.98600	30.5
117.03305	1.5
118.03513	9.1
119.01907	23.6
120.01991	4.5
121.01648	5.8
122.03594	1.2
128.65857	0.7
130.03433	1.4
131.01880	12.9
131.99522	1.7
133.03424	2.5
134.02957	100.0
134.04747	5.0
134.99632	31.7
135.03212	4.8
136.04555	1.7
137.02951	11.4
137.04622	1.0
138.03006	2.8
138.04083	0.9
138.55769	0.7
139.02647	3.3
141.03911	1.0
142.03490	1.9
145.02809	2.0
146.03485	1.2
148.96127	1.2
149.02939	3.3
151.04485	0.8
152.02199	3.2
152.03984	21.6
152.05878	2.7
152.96884	3.3
153.00690	5.6
153.03984	4.7
154.03452	5.3
157.04535	4.1
158.01248	2.2
158.02953	6.5
158.04823	1.4
159.03096	0.9
159.05063	1.7
160.04597	1.0
170.03339	0.7
171.01363	22.7
171.05002	8.4
171.06293	1.0
172.04523	1.9
175.98480	3.0
176.02301	1.3
176.04102	18.5
176.05841	7.8
176.07074	1.3
177.00838	1.9
177.04155	2.0
177.05466	1.2
189.02373	9.1
189.05971	1.9
194.03136	1.9
194.05070	6.7
194.06790	2.2
199.05681	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	176.0917
Annotation	2-AMINOPIMELIC ACID
Peak:m/z	Relative Intensity
55.01871	0.3
55.05501	1.1
56.05026	0.6
56.84122	0.2
56.96556	2.1
57.03429	1.0
58.06595	0.5
59.05002	0.2
60.04517	3.4
61.02924	0.4
65.03948	0.2
67.05495	0.8
68.05005	0.3
69.03424	0.7
70.06583	94.8
71.01319	0.2
71.04983	100.0
71.06909	1.4
71.54235	0.2
72.05318	1.2
72.08135	1.0
73.02901	0.4
74.06043	0.2
79.05481	0.3
81.03412	0.8
84.04531	0.2
84.08127	0.4
85.02891	0.7
85.06526	0.2
87.04471	0.3
88.03974	0.2
88.07619	47.3
89.03841	0.2
89.06023	0.4
89.07951	0.6
90.01527	0.2
91.05438	0.2
92.30505	0.2
93.07031	0.2
95.01273	0.3
95.04980	0.2
95.08597	0.5
97.02890	0.7
98.01292	0.2
98.06030	1.8
98.97565	2.0
98.98473	0.6
99.04443	4.5
99.05087	0.3
103.02382	0.2
103.05432	0.2
108.02376	0.1
110.07153	0.6
111.08075	0.1
112.07600	1.4
112.11232	3.9
112.99123	0.2
113.05960	0.3
114.09144	0.2
116.01237	0.3
116.06300	0.3
116.07082	3.6
116.97207	0.5
116.98608	1.2
117.02081	0.2
117.05479	8.4
119.01857	1.1
120.02003	0.2
121.01591	0.2
121.02846	0.1
126.02543	0.2
127.03966	0.2
128.98557	0.2
130.08624	54.4
130.12263	5.3
131.01875	0.3
131.08961	0.6
133.03403	0.3
134.08107	26.3
134.99646	0.4
135.08458	0.2
137.05800	0.2
140.07043	0.3
145.02803	0.3
146.99608	0.2
148.03946	0.3
148.07518	0.3
149.05933	0.3
149.20518	0.2
156.07716	0.2
158.05992	0.5
158.08156	0.4
158.11749	0.4
158.99594	0.3
161.04572	0.2
171.01392	0.4
171.04982	0.5
175.98538	0.2
176.07039	1.4
176.09193	3.1
176.12764	1.1
177.12651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03938	0.5
60.21476	0.4
62.01582	0.4
63.02385	1.3
70.07175	1.7
72.37292	0.4
77.03941	0.4
78.04705	3.1
79.05497	0.6
89.03906	48.6
90.04232	0.7
91.05472	3.3
93.07030	1.1
95.04950	0.9
95.76101	0.4
98.21394	0.5
98.98438	0.5
103.05453	1.4
105.03415	0.5
106.04153	3.8
107.08540	0.9
117.03363	78.0
118.03685	2.2
119.04934	0.4
121.06487	0.9
121.10139	0.6
124.05195	1.2
124.33556	0.3
129.04536	0.6
131.08499	0.4
134.03616	9.2
135.04413	5.0
135.11690	0.4
145.02826	100.0
146.03154	3.4
149.05960	25.0
150.06293	0.9
158.05962	0.6
162.03139	0.9
163.03860	1.6
177.05446	23.5
177.12721	0.7
178.05792	0.8
186.05470	1.8
187.49043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03937	1.1
55.05499	0.8
62.80273	0.5
63.02374	1.2
67.05478	0.9
69.07061	1.2
71.31429	1.3
71.31783	0.5
78.04710	3.5
79.05489	3.1
81.07056	1.3
89.03909	50.8
91.05473	6.6
93.07019	4.2
95.04964	1.6
95.08607	1.6
98.98444	5.2
103.05457	3.3
105.03357	0.8
105.07018	2.7
106.04168	5.1
106.53985	0.6
107.04971	0.7
107.08588	2.6
108.43260	0.5
110.96386	0.6
115.05439	1.4
116.06226	1.4
117.03368	82.6
117.07005	5.6
118.03703	2.0
119.04967	1.1
119.08569	4.4
121.02865	1.0
121.06504	4.2
121.10126	7.1
124.05199	1.4
131.04948	1.2
131.08559	2.2
133.06464	1.3
133.10114	1.1
134.03629	11.9
134.07254	1.7
135.04404	7.4
135.06380	0.6
135.08099	0.7
135.11711	0.7
144.05696	0.9
145.02832	100.0
146.03139	2.8
147.08037	1.2
148.09863	0.6
149.02394	1.0
149.05962	33.4
149.09616	2.0
150.06332	1.1
158.06017	1.2
159.08041	1.0
159.11737	1.0
161.05904	0.7
162.03130	5.6
162.06740	3.1
163.03891	2.7
177.05458	34.5
177.09077	29.2
177.12645	2.9
177.16408	1.7
178.05965	0.8
186.05487	3.0
196.79874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02399	0.4
53.03942	0.9
55.01866	0.5
55.05499	0.7
62.01598	0.5
62.26062	0.3
62.44950	0.3
63.02349	1.6
65.64336	0.3
69.07059	1.1
69.37065	2.7
71.40495	0.3
77.03971	0.3
78.04701	3.2
79.05476	2.0
81.03413	0.4
81.07044	1.4
83.08572	0.6
88.66802	0.4
89.03905	49.4
90.04237	1.3
91.05468	5.3
93.07027	3.6
95.04956	1.4
95.08591	1.9
98.98454	2.8
103.05464	2.3
105.03389	0.6
105.04510	0.3
105.07027	1.2
106.04166	3.8
107.04925	0.4
107.08578	3.8
109.10130	0.8
116.06210	0.3
117.03362	80.9
118.03697	2.2
119.04937	0.7
119.08632	0.7
121.02828	0.4
121.06474	2.2
121.10116	4.4
124.05206	1.3
129.04475	0.5
131.04922	0.5
131.08565	1.4
133.10149	0.6
134.03621	9.8
135.04407	6.4
135.08141	0.4
135.11694	1.0
145.02823	100.0
146.03160	2.9
149.02301	0.7
149.05962	27.2
149.09608	1.2
149.13235	0.5
150.06332	0.8
158.05994	1.4
159.08055	1.1
159.11661	0.8
162.03090	2.5
162.06766	0.9
163.03914	2.5
164.04240	0.4
177.05446	27.7
177.09026	5.9
177.12703	1.2
177.16330	2.4
178.05875	0.4
186.05463	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	177.0908
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
52.01604	0.2
55.01869	0.2
64.03159	0.1
69.95192	0.9
78.04689	0.3
79.05475	0.6
83.69515	0.2
91.05470	3.5
92.06229	0.2
93.07039	0.7
103.05455	0.4
105.03374	0.3
105.07000	1.0
106.07801	0.3
107.08572	0.3
109.06516	0.2
115.05450	4.2
116.06232	3.8
117.03337	0.2
117.07010	12.3
118.07299	0.3
119.04933	1.5
119.08567	0.4
121.06494	2.0
121.10136	0.4
129.06992	0.3
131.08546	0.4
133.06488	3.1
134.07275	4.1
135.08067	1.6
144.05708	2.2
145.02789	0.4
145.06458	2.2
146.07231	0.3
147.04398	0.5
147.08014	0.5
149.05980	0.4
149.09604	0.7
159.08014	0.4
161.05992	1.0
162.06744	13.1
163.07079	0.4
175.07550	0.5
177.09087	100.0
178.09424	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03931	0.5
55.01857	0.5
55.05504	1.3
63.02352	0.2
63.25788	0.2
65.03922	0.4
67.05492	1.5
69.03409	0.8
69.07056	2.4
69.81380	1.1
71.04945	0.2
72.54133	0.2
73.50833	0.2
78.04679	1.1
79.05482	3.3
80.05018	0.2
81.03397	0.2
81.07051	2.8
83.04953	0.2
83.08593	1.4
85.04004	0.2
88.02187	0.2
89.03909	5.6
90.04245	0.2
91.05467	7.7
92.05744	0.2
93.07034	7.1
95.04955	1.3
95.06040	0.2
95.08590	4.0
97.10164	0.3
98.98454	5.8
103.05463	1.8
103.27616	0.2
105.03339	0.3
105.07016	4.0
106.04161	2.4
106.07793	0.6
107.04930	0.9
107.08585	7.0
109.06493	0.7
109.07634	0.4
109.10126	1.7
115.05445	4.5
116.06227	3.9
117.03367	7.4
117.07005	13.2
118.07297	0.3
119.04913	1.5
119.05730	0.2
119.06084	0.2
119.08593	1.5
120.05698	0.4
121.02809	0.5
121.05658	0.3
121.06495	4.8
121.10131	9.8
121.52412	0.2
122.07137	0.2
122.10481	0.2
124.05202	0.2
129.06984	0.6
131.04909	2.8
131.06989	0.2
131.08551	4.3
132.08022	0.2
133.06480	3.9
133.10080	1.2
134.03596	1.3
134.07257	5.0
135.04405	1.5
135.08020	2.6
135.11699	2.4
136.08658	0.3
144.05693	2.1
144.09314	0.7
145.02821	9.9
145.06447	2.7
147.04393	1.0
147.08055	0.5
148.05141	0.2
149.02318	1.6
149.04762	0.3
149.05962	5.9
149.09589	2.5
149.13237	1.2
149.94617	0.4
159.04395	0.3
159.08023	1.7
159.11653	1.6
160.07616	0.2
161.05966	1.5
162.03113	1.0
162.06740	13.8
163.03893	0.6
163.07097	0.3
175.07552	0.5
177.05656	6.5
177.09082	100.0
177.16328	4.5
178.04895	0.3
178.09543	2.5
186.05492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01860	0.2
55.05508	0.4
60.91964	0.2
67.05489	0.4
69.03432	0.3
69.07037	0.8
70.56730	0.5
70.57077	0.3
78.04705	0.3
79.05498	1.3
81.07038	0.7
83.08616	0.3
89.03909	2.3
91.05469	4.4
93.07033	2.2
95.04956	0.4
95.08617	1.2
98.20830	0.2
98.98467	1.6
103.05476	0.9
105.03389	0.3
105.07018	1.9
106.04154	0.5
106.07806	0.3
107.04929	0.4
107.08579	2.4
109.10110	0.4
115.05444	3.9
116.06230	3.3
117.02587	0.3
117.03362	3.7
117.07006	12.2
118.07311	0.3
119.04942	1.5
119.08570	0.7
121.02831	0.2
121.06503	2.6
121.10136	2.5
125.34883	0.2
129.07002	0.4
131.04860	0.2
131.08557	1.0
133.06480	3.5
133.10077	0.3
134.03568	0.6
134.07253	4.8
135.04427	0.3
135.08055	2.1
135.11667	0.6
144.05688	2.2
144.09343	0.2
145.02837	4.3
145.06461	2.2
146.07170	0.3
147.04414	0.6
147.08067	0.4
149.02251	0.3
149.05984	2.2
149.09573	1.5
149.13229	0.6
158.40091	0.2
159.08046	0.8
159.11682	1.0
161.05965	1.7
162.03130	0.4
162.06740	13.1
163.03809	0.2
163.07143	0.5
175.07541	0.5
177.05605	2.1
177.09085	100.0
177.16235	1.1
178.03300	0.2
178.09428	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	7.1
55.01863	6.7
55.05503	26.9
57.03436	7.1
57.07053	2.6
59.29285	1.2
65.03912	3.0
67.05494	20.2
67.06023	1.3
69.03424	10.2
69.07058	35.7
71.04980	7.1
79.02999	1.3
79.05481	63.9
81.07045	45.5
83.04957	4.5
83.08606	10.6
88.02226	1.5
89.03903	8.0
91.04884	1.9
91.05469	55.6
93.07032	100.0
94.07346	1.4
95.04958	16.4
95.08588	17.4
97.06493	5.4
98.20586	2.3
98.98463	17.7
103.05450	4.8
105.04519	3.1
105.07018	38.2
106.04137	1.7
107.04936	14.7
107.08581	67.6
108.08904	2.4
109.06514	13.7
109.10136	3.8
111.07956	1.4
115.05444	7.5
116.06198	2.4
117.03375	11.8
117.07005	38.3
119.08565	23.5
121.02847	1.7
121.06490	26.9
121.10126	25.7
122.07272	2.3
123.08076	2.7
128.06119	2.2
129.06969	11.0
130.07750	6.2
131.08553	44.5
132.08878	1.7
133.06483	3.4
133.10114	12.0
134.03636	3.6
135.04430	2.6
135.08037	21.5
135.11688	10.2
144.09320	10.6
145.02824	14.2
147.08005	2.1
147.11668	2.1
148.08794	2.2
149.02298	6.2
149.05960	6.6
149.09604	3.9
149.13248	17.9
157.10127	2.3
159.08022	2.2
159.11673	40.1
160.12097	1.4
162.03090	1.4
177.05421	12.5
177.06572	1.2
177.09015	8.1
177.12720	63.0
177.16371	5.3
178.04897	1.2
178.08624	1.8
178.13036	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61140	1.4
53.03917	4.5
55.01857	4.7
55.05503	7.5
57.03426	2.1
57.07050	2.3
65.03922	2.4
67.05495	10.5
69.03434	7.5
69.07063	20.0
70.01158	7.2
70.01525	2.3
71.04977	3.1
78.04688	1.5
79.05489	23.7
81.03374	2.3
81.07047	63.4
83.04971	3.3
83.08620	3.6
85.06510	2.1
85.13622	1.6
88.02180	3.1
89.03901	15.4
91.05470	71.1
92.05775	2.6
93.07037	53.9
94.07333	1.6
95.04958	11.1
95.08596	18.5
97.06493	7.0
98.04788	1.6
98.98451	39.6
102.42461	1.4
103.05441	6.3
105.03458	1.5
105.04463	1.6
105.07017	66.2
106.04177	3.0
106.07341	2.0
106.59015	1.3
106.63726	1.3
107.04922	5.8
107.08582	50.6
108.04504	1.5
109.02827	1.7
109.06509	8.1
109.10136	2.9
109.40044	1.4
111.04371	1.5
115.05437	3.1
116.06194	1.8
116.99474	1.9
117.03368	24.7
117.07008	16.1
119.08567	18.9
121.02850	3.6
121.06494	81.3
121.09292	2.8
121.10126	40.8
122.06791	3.4
123.08028	1.8
129.06982	4.4
130.07739	2.2
131.04889	2.7
131.08551	28.2
132.08022	1.7
132.08908	1.7
133.06480	4.3
133.10117	10.8
134.03622	5.1
135.04404	4.7
135.08040	58.7
135.11685	12.4
136.08502	2.2
144.09314	7.7
145.02826	24.2
147.11642	1.5
149.02328	13.1
149.05969	12.4
149.09607	13.6
149.13229	27.5
153.93723	1.8
157.10182	2.5
159.04373	1.9
159.08014	6.3
159.11671	65.7
160.11942	2.6
163.03815	2.5
177.05421	23.4
177.06781	1.9
177.09096	15.1
177.12723	100.0
177.16403	12.2
178.04999	5.3
178.08607	4.4
178.13086	2.4
185.43694	1.5
186.05492	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03930	0.7
55.05505	11.2
56.63157	0.6
57.07068	2.3
62.76486	0.5
65.03936	1.0
66.20309	0.6
67.05496	5.9
69.07061	31.2
69.97694	0.6
70.86253	1.5
79.05485	10.9
81.07054	9.6
83.08607	17.5
89.03902	0.7
91.05465	7.0
93.07034	28.4
95.05031	1.2
95.08595	31.6
97.10179	1.8
98.98486	0.8
105.07016	8.9
106.07807	0.8
107.08581	76.9
109.06522	1.2
109.10143	12.4
117.03371	1.4
119.08572	2.6
119.49831	0.6
121.10128	100.0
122.10434	1.5
123.08040	1.0
133.07588	1.0
133.10069	1.2
134.53334	0.6
135.11673	19.5
135.12674	1.1
145.02837	1.9
149.05951	0.9
149.13239	7.0
177.05495	1.1
177.09038	1.7
177.16370	45.5
178.16698	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	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.88017	0.3
51.02369	0.4
53.03938	0.8
55.01867	3.5
55.05508	1.6
56.96563	0.3
57.03432	0.6
59.05001	0.4
65.03916	1.9
67.05503	2.5
67.76511	0.3
69.03420	0.9
69.07053	0.8
70.75175	0.3
70.90879	0.9
71.04995	0.6
77.03925	0.4
79.05487	4.2
81.03421	0.6
81.07047	4.5
83.04961	0.6
83.08588	0.4
89.03906	0.6
91.05470	28.7
92.05796	0.7
93.07030	5.5
95.04964	3.3
95.06092	0.4
95.08597	3.9
97.02878	0.3
97.06486	0.5
103.05472	0.7
105.03384	0.9
105.04562	0.4
105.07014	18.4
106.07347	0.4
107.04955	1.5
107.08578	5.9
108.04478	0.4
108.05681	0.4
109.06514	2.3
109.10118	1.9
111.04450	0.4
115.05476	0.6
115.86282	0.4
117.07015	0.4
118.04137	0.7
119.04928	70.5
119.08568	3.6
120.05328	1.4
121.06505	1.3
121.10113	1.7
123.04420	7.2
123.05299	0.6
123.08051	3.2
123.11689	1.1
131.08582	1.0
133.02841	2.4
133.06459	3.4
133.10112	19.1
135.04411	0.9
135.11685	1.6
136.05171	2.0
136.08745	0.3
137.05966	4.5
137.08226	0.9
137.09587	2.1
137.13234	0.9
138.06583	0.7
143.08582	0.8
146.03621	1.4
146.07217	0.4
147.04388	100.0
148.04715	2.5
151.03882	3.2
151.07536	2.5
151.11128	1.7
152.07039	0.4
159.46394	0.3
161.05960	5.2
161.09590	3.2
161.13225	1.3
162.06529	0.3
163.07515	0.4
164.04684	0.5
165.05521	0.6
179.03380	9.4
179.07042	9.6
179.09277	0.4
179.10628	4.8
179.14265	3.0
180.03729	0.3
188.07030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
52.17085	0.5
53.03933	1.9
55.01868	4.2
55.05507	5.2
57.03421	1.2
59.04993	0.8
63.27215	0.4
65.03931	1.3
67.05496	7.4
68.05014	0.7
69.03416	4.3
69.07044	1.4
69.41679	3.9
71.04971	1.6
73.02901	0.9
77.03925	0.9
79.05484	12.1
80.04993	0.7
81.03413	0.9
81.04536	0.6
81.07047	16.8
82.06561	0.5
83.04972	1.4
83.06120	0.8
84.49898	0.5
85.02905	0.8
89.03910	0.5
91.05469	28.0
92.05784	0.6
93.07030	21.9
95.04958	8.4
95.06056	1.4
95.08597	12.9
96.04483	0.6
96.08955	0.5
97.02910	1.1
97.06507	1.1
97.07681	0.5
99.04462	0.7
103.05441	2.5
105.03379	1.6
105.07017	82.2
106.06637	0.5
106.07310	2.5
107.04935	1.5
107.06071	0.6
107.08580	14.2
108.04472	1.2
109.06499	5.2
109.10133	3.4
110.07119	0.6
111.04480	0.6
115.05460	1.2
117.06971	2.7
118.07784	1.7
119.04925	7.4
119.08568	12.1
120.05517	0.6
121.06483	3.2
121.10116	1.3
122.07178	0.8
123.04416	10.8
123.08049	11.1
123.11687	5.0
124.08373	0.7
127.07477	1.2
128.06172	1.1
131.04865	0.6
131.08540	5.1
132.05658	0.7
133.02811	3.8
133.06535	3.8
133.10110	100.0
134.06046	0.6
134.07103	0.9
134.10387	2.9
135.08037	1.5
135.11671	2.8
136.05162	1.3
137.05957	6.6
137.08231	1.8
137.09558	3.4
138.06573	1.1
143.08516	1.9
143.50673	0.5
146.03627	1.0
146.07260	1.6
147.04376	8.1
148.04810	0.5
151.03862	4.6
151.07545	3.1
151.11163	6.6
152.07039	0.9
152.08133	0.8
161.05986	3.7
161.08252	1.1
161.09590	13.6
161.13226	1.3
162.06601	0.7
179.03386	14.7
179.07083	5.4
179.09311	1.1
179.10640	14.7
179.12947	0.6
179.14168	2.6
180.06465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1064
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01864	4.4
55.05499	5.1
57.03420	1.3
59.04982	0.4
63.78166	0.3
65.03932	1.8
67.05492	7.3
67.34773	0.3
68.99783	0.4
69.03418	4.8
69.07059	1.3
70.06580	0.4
71.04986	1.0
71.52734	0.6
73.02903	1.0
77.03897	0.8
78.04711	0.3
79.05482	13.4
80.04995	0.6
80.05817	0.4
81.03408	1.3
81.07043	17.5
83.04971	0.9
83.06102	0.4
85.06532	2.4
89.03900	0.6
91.05469	35.4
91.28565	0.3
92.05781	0.8
93.07030	22.6
94.06561	1.1
94.07315	0.5
94.07840	0.5
95.04952	10.2
95.06075	1.3
95.08595	13.8
95.98963	0.4
97.02897	1.0
97.06490	1.1
97.07617	0.5
99.04443	0.6
103.05453	2.9
105.03374	1.7
105.04504	1.1
105.07014	94.0
106.07304	2.6
107.04944	9.8
107.08581	14.7
108.04449	1.2
109.02839	0.5
109.06498	5.5
109.07615	0.5
109.10143	3.3
110.48956	0.4
111.04436	0.6
115.05437	1.8
117.06995	2.5
118.04169	0.5
118.07775	1.5
119.04927	18.6
119.08558	12.5
120.05536	0.9
121.02882	0.4
121.06479	2.7
121.10110	1.1
123.04413	13.1
123.08050	15.5
123.11691	3.3
124.04739	0.4
125.05973	0.6
127.03902	0.4
127.07560	1.3
127.19427	0.4
128.06189	1.4
131.04907	0.9
131.08553	5.7
133.02824	4.1
133.06499	4.4
133.10109	100.0
134.05980	0.9
134.06998	0.5
134.10352	3.2
135.04408	1.0
135.08040	1.5
135.11664	3.5
136.05159	1.4
136.08701	0.6
137.05965	7.4
137.08211	1.7
137.09567	2.5
138.06476	0.8
143.08542	2.4
146.03534	0.6
146.07237	1.5
147.04387	27.2
148.04739	0.8
151.03880	5.5
151.07520	5.0
151.11153	6.6
152.07016	1.2
152.08156	0.6
161.02303	0.7
161.05981	3.3
161.09576	12.4
161.13234	1.9
162.06622	0.5
164.04605	0.6
179.03375	16.2
179.07077	8.8
179.10637	15.3
179.14171	2.7
180.06479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.79619	0.4
53.03929	1.8
55.01852	2.7
55.05507	4.0
57.03429	0.6
61.65551	0.4
64.78489	0.4
65.03926	0.9
67.05491	5.5
68.05819	0.4
68.70760	0.3
69.03419	4.2
69.07051	1.2
70.66319	1.2
71.04984	1.2
77.03925	1.0
79.05483	10.2
81.07049	14.5
83.04971	0.6
89.03889	0.6
91.05468	24.9
92.05764	0.5
92.06268	0.5
93.07031	20.4
95.04953	4.3
95.08593	12.3
97.02820	0.8
97.06507	0.7
99.04427	0.5
103.05458	2.3
105.03377	1.2
105.07017	90.3
106.07304	2.4
107.04924	1.6
107.08575	12.6
109.06522	4.1
109.10175	2.1
115.05445	1.5
117.07010	2.0
118.07800	1.3
119.04919	3.4
119.08572	9.0
120.55511	0.4
121.06477	2.3
121.10141	0.6
123.04409	3.8
123.08054	12.3
123.11694	3.7
127.07538	1.5
128.06198	0.8
131.04845	0.4
131.08549	5.1
133.02856	1.4
133.06471	1.7
133.10112	100.0
134.06975	0.5
134.10394	2.3
135.04378	0.5
135.08047	0.7
135.11716	2.5
137.05971	6.1
137.08205	0.6
137.09605	1.7
137.13231	0.4
143.08554	1.4
146.07257	0.9
147.04362	3.7
151.03877	1.5
151.07481	1.0
151.11182	5.5
161.05943	0.8
161.09593	12.6
161.13245	0.4
162.10049	0.4
179.03375	4.3
179.07126	2.0
179.10632	11.4
179.14224	0.8
180.03947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03950	2.3
55.01860	3.4
55.05505	3.7
56.05028	0.6
56.96565	0.5
57.03418	0.6
57.07067	0.9
65.03932	1.0
67.05494	5.0
69.03411	1.4
69.07059	1.4
70.51568	1.4
71.04979	1.0
77.03908	0.5
78.19798	0.5
79.05043	0.8
79.05488	9.3
81.03407	1.0
81.07050	8.6
83.04962	0.5
91.05474	20.3
92.05774	0.5
93.07036	13.3
94.07925	0.4
95.04964	5.6
95.06075	0.5
95.08595	17.0
97.06505	0.7
98.98452	0.8
99.04488	0.5
100.75181	0.4
103.05443	3.3
105.03414	1.2
105.07018	100.0
106.07307	2.2
107.04972	0.6
107.08578	8.8
108.04462	1.0
108.05728	0.7
109.06504	5.5
109.10140	2.6
110.07223	0.4
115.05424	1.9
117.06999	2.5
118.07802	2.0
119.04938	5.5
119.08559	8.5
121.06511	1.2
121.10125	0.6
123.04415	6.8
123.08057	18.7
123.11688	6.1
124.08431	0.6
125.06003	0.6
128.06215	0.6
131.08546	5.3
133.02838	2.4
133.06514	2.0
133.10115	83.2
134.06073	0.4
134.10556	1.5
135.04346	0.6
135.08022	1.1
135.11659	1.9
136.05168	0.8
137.05948	3.0
137.08200	1.3
137.09610	1.5
141.05475	0.7
143.08524	0.7
146.03615	0.8
147.04385	6.6
151.03891	3.5
151.07556	1.1
151.11177	6.1
152.07005	0.5
161.05968	2.4
161.09613	7.9
161.13234	1.2
162.06606	0.4
179.03369	8.4
179.07076	3.9
179.09436	0.4
179.10654	9.0
179.14293	1.8
180.06529	0.8
184.85823	0.4
188.61243	0.4
190.54819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.58042	0.4
53.03940	2.3
55.01868	5.3
55.05505	5.3
56.96558	1.2
57.03427	1.4
57.07050	1.2
61.35678	0.5
64.83780	0.4
65.03941	1.6
66.02368	0.5
67.05497	7.3
68.05016	0.9
68.94634	0.4
69.03421	5.2
69.07059	2.0
69.35534	0.5
71.04984	1.0
71.54829	0.9
72.04511	0.8
72.98914	0.4
73.02922	0.8
77.03902	0.9
79.05045	1.0
79.05486	12.2
81.03409	1.3
81.07050	16.2
83.04972	0.9
83.06108	0.4
86.02405	0.5
87.23325	0.5
89.03948	0.7
91.05471	31.4
92.05797	0.9
93.07037	21.2
94.06552	1.0
95.04962	8.1
95.06100	0.5
95.08598	13.4
96.08927	0.5
97.02885	1.7
97.06496	1.0
98.98417	0.6
103.05474	2.4
105.03410	2.3
105.07021	89.9
106.07287	2.3
107.04958	1.2
107.08584	13.3
108.04479	1.3
108.08937	0.6
109.06507	5.4
109.10142	5.5
110.07176	0.6
111.04411	0.7
111.08087	0.5
115.05451	1.6
117.03340	0.8
117.06960	2.3
118.07816	1.8
119.04945	12.0
119.08566	9.4
120.05592	0.5
121.06505	3.5
121.10120	2.4
123.04420	12.5
123.08059	14.0
123.11685	4.5
125.06008	0.6
127.07547	1.7
128.06218	1.5
131.04921	0.6
131.08554	6.5
132.05731	0.5
133.02837	5.3
133.06494	5.2
133.10118	100.0
134.05983	1.7
134.10428	2.9
135.04420	0.8
135.08026	1.3
135.11678	2.5
136.02142	0.8
136.05157	1.3
136.08792	0.7
137.05968	7.3
137.08208	1.3
137.09579	3.5
138.05511	0.5
138.06523	1.2
143.08557	2.0
146.03616	1.4
146.07246	1.7
147.04393	17.2
148.04736	0.6
151.03899	7.3
151.07527	3.8
151.11176	6.1
152.07030	1.2
161.02307	0.8
161.05968	5.3
161.08282	0.7
161.09601	12.0
161.13184	2.7
162.05464	0.7
162.09056	0.8
163.07498	0.6
164.04054	1.8
171.89340	0.5
179.03375	25.0
179.06860	7.5
179.09042	0.9
179.10634	15.8
179.12154	1.0
179.14195	3.0
180.03772	1.1
180.06560	1.3
180.08043	0.7
180.10150	0.8
184.04257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01862	2.0
55.05503	2.7
57.07066	0.5
63.68665	0.3
67.05496	4.6
68.59631	0.4
69.03426	1.5
69.07069	0.6
71.42378	0.6
71.42702	0.6
76.02220	0.4
77.03929	0.7
79.05484	6.7
81.03396	0.6
81.04542	0.4
81.07045	6.6
91.05470	17.7
93.07034	9.9
95.04944	3.7
95.06077	0.4
95.08594	15.3
96.08887	0.4
97.06503	0.7
98.98492	0.4
103.05473	2.4
105.03407	0.9
105.07018	100.0
105.57860	0.4
106.07299	3.2
107.04967	0.7
107.08582	7.0
108.04488	0.6
109.06507	1.9
109.10111	1.7
115.05432	1.3
116.06181	0.5
117.06998	1.8
117.28557	0.3
118.07792	2.2
119.04935	3.9
119.08574	7.1
121.06494	1.0
121.10100	0.6
123.04440	4.6
123.08054	16.5
123.11687	5.4
124.08399	0.8
131.05005	0.4
131.08559	5.7
131.09518	0.6
133.02834	2.0
133.06502	1.7
133.10114	82.7
134.10374	2.5
135.11693	1.3
136.05119	0.9
137.05992	2.2
137.08197	0.7
137.09605	1.3
138.06566	0.4
146.07237	0.8
147.04396	4.2
151.03847	2.9
151.07535	1.1
151.11194	2.9
152.07065	0.4
161.05986	1.4
161.09596	5.7
161.13251	0.9
162.05594	0.4
179.03384	7.5
179.07153	2.7
179.09337	0.5
179.10661	7.7
179.14293	1.3
180.06548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03927	3.2
55.01864	6.4
55.05264	1.4
55.05504	21.3
57.03416	4.0
57.07070	8.6
59.04979	2.7
59.66806	1.0
65.03918	3.2
67.05496	56.1
67.64904	0.9
69.03401	3.2
69.07061	13.0
71.04967	3.1
71.08595	1.0
71.53256	1.6
77.92117	1.0
79.05063	1.7
79.05487	24.8
81.03393	2.1
81.07047	100.0
82.07385	1.6
83.04974	3.1
83.08611	6.7
85.06526	2.3
85.10157	2.5
89.03842	0.9
91.05473	17.1
93.06475	1.6
93.07037	28.8
94.06554	1.5
95.04958	21.5
95.08593	75.9
97.06497	6.3
98.98452	1.7
103.05421	1.8
105.07021	25.5
107.04926	1.9
107.08571	12.5
109.06507	21.5
109.10146	24.3
109.10909	1.2
111.08090	2.0
115.90547	0.8
117.06994	2.0
119.04942	5.4
119.08563	19.9
121.06464	1.3
121.10146	8.7
123.04416	9.1
123.08047	19.7
123.11661	1.8
131.08521	1.0
133.02795	4.2
133.06462	5.0
133.10123	11.8
134.06003	1.8
135.04373	1.6
135.11725	4.4
137.05963	1.8
137.09602	8.8
137.13248	2.3
146.03613	0.9
147.04413	7.5
151.03914	4.5
151.07477	3.0
151.11197	1.3
151.14793	5.5
161.05998	4.8
161.09583	2.2
161.13240	10.6
162.09122	1.4
179.03369	28.3
179.06880	6.1
179.08955	1.9
179.10608	9.0
179.14276	34.4
180.06538	1.5
180.10135	1.5
180.14682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.74614	0.9
53.03925	4.3
53.83786	1.1
55.01863	5.8
55.05259	1.7
55.05503	20.5
57.03433	5.9
57.07067	6.9
59.04982	1.1
65.03905	3.1
67.05495	91.5
68.05827	1.3
69.03413	7.4
69.07063	14.0
69.34871	1.0
71.04981	7.1
71.48167	0.9
71.53491	2.1
76.02210	1.3
77.03926	1.4
79.05479	24.1
81.03418	5.1
81.07043	64.4
83.04955	3.6
83.08595	3.5
85.06526	1.5
85.10143	2.1
91.05465	23.0
93.07030	34.1
93.07619	2.1
94.06551	1.8
95.04948	25.4
95.08594	100.0
96.08912	1.8
97.06497	3.4
98.98456	3.2
103.05434	1.8
105.03365	1.4
105.07017	25.7
107.04929	3.0
107.08582	13.5
108.04475	1.2
109.02876	1.0
109.06505	12.9
109.10139	49.2
111.08103	1.8
117.06967	2.0
119.04929	6.4
119.08566	21.1
121.06474	2.5
121.10120	7.6
123.04423	9.1
123.08047	19.4
123.11655	2.7
133.02831	5.8
133.06471	5.2
133.10117	12.7
135.04407	1.1
135.11671	7.9
136.02078	1.1
136.05151	1.6
137.05954	1.6
137.09602	20.6
137.13214	2.5
147.04379	8.3
151.03952	1.9
151.07500	2.8
151.11168	2.5
151.14783	10.1
152.06958	1.2
161.05983	5.3
161.09605	4.2
161.13248	11.2
173.33308	1.2
179.03368	29.7
179.06372	5.3
179.08684	1.3
179.08939	1.5
179.10646	8.0
179.14278	52.4
180.03732	2.1
180.06543	2.0
180.10165	1.6
180.14641	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	179.9905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61100	0.2
56.96529	0.8
58.99856	0.4
60.04486	0.2
64.53676	0.2
70.02898	0.2
71.52887	0.3
77.00877	0.3
82.00985	0.3
82.01414	1.4
98.97077	0.2
98.97569	2.1
99.63519	0.2
100.02471	4.1
101.00864	0.5
101.02505	0.2
102.94293	0.3
116.98605	2.2
118.03528	1.8
119.01901	1.4
120.02003	0.4
120.95332	1.3
121.01653	0.2
131.01877	0.3
134.02979	0.8
134.99648	0.9
135.15985	0.2
137.02878	0.3
138.96371	9.8
142.03442	0.3
142.49696	0.6
147.96873	0.7
150.47188	0.3
151.50273	0.4
151.99403	0.3
156.46004	0.3
156.97453	100.0
157.03432	1.6
157.97502	2.7
158.97908	0.4
159.47696	0.8
161.97942	3.5
164.96303	0.3
165.49965	0.9
165.96239	0.5
165.97975	0.6
166.00189	0.3
168.48241	2.4
168.98325	0.4
169.48161	0.7
174.98512	93.2
175.04495	0.9
175.98613	2.6
176.98903	0.6
179.99046	70.1
180.99170	2.8
193.03749	0.2
198.00124	50.7
198.98524	1.0
199.00259	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	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03948	0.4
63.02371	0.7
65.03934	0.6
69.83758	0.6
69.84171	1.2
77.03928	0.5
79.05484	4.7
83.04961	0.3
89.03905	23.7
90.04259	0.4
91.05470	2.0
93.03371	0.4
93.07045	0.3
95.04950	1.6
97.68841	0.3
105.04509	0.4
107.04385	0.2
107.04941	7.6
111.04437	1.2
117.03365	26.6
118.03680	0.6
119.04913	0.6
119.12688	0.3
121.06458	0.5
121.10242	0.4
125.05956	0.3
135.04399	49.1
136.04747	1.4
139.03876	1.2
145.02829	27.0
145.03845	1.0
146.03154	0.9
157.87241	0.3
160.30211	0.4
163.03883	100.0
164.04216	3.4
181.05014	0.7
181.08498	0.5
186.05479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.05614	0.3
50.80775	0.3
51.94273	0.3
53.03941	0.8
55.01869	0.5
59.06116	0.2
63.02379	0.6
64.51372	0.3
65.03942	0.4
68.05021	0.3
68.99821	0.3
69.03402	0.4
69.07050	0.3
69.65327	1.6
79.05483	5.9
81.07054	0.5
82.05319	0.2
83.04980	0.5
83.06116	0.3
89.03907	21.4
90.04234	0.3
91.05470	4.5
93.03391	0.5
93.07034	1.2
94.04190	0.3
95.04969	1.5
97.06516	0.3
97.07607	0.3
98.97581	1.1
103.05463	1.2
105.07011	0.6
107.04945	8.8
107.08590	1.0
109.06512	0.3
111.04437	1.7
116.98605	0.9
117.03367	23.4
117.07002	0.9
118.03691	0.6
119.04921	3.0
121.06502	0.6
121.10085	0.3
122.03627	1.2
122.07110	0.6
125.05897	0.3
131.04906	0.9
134.99692	0.5
135.04401	44.3
135.07986	1.5
136.04623	1.3
136.07611	0.5
137.05962	9.9
139.03874	0.9
145.02832	27.0
145.10027	0.3
146.03194	0.6
149.05890	0.6
151.07494	1.7
153.05374	0.6
153.09064	0.4
163.03885	100.0
163.07454	2.4
164.04219	3.4
164.07028	0.5
167.32060	0.3
170.85049	0.3
181.04901	0.9
181.08539	1.3
181.10796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03925	3.0
53.08776	0.8
54.80793	0.7
55.01862	4.7
55.05515	5.7
56.05029	1.6
56.96547	2.6
57.03419	2.1
57.07063	1.1
59.06107	2.0
63.76593	0.8
65.03922	3.3
67.05497	6.0
68.05015	2.7
68.99780	1.2
69.03423	12.8
69.07059	4.0
69.78975	3.9
70.06602	0.8
71.04971	2.6
72.04487	0.9
76.09916	0.9
79.05484	17.8
80.05004	1.2
81.03406	1.5
81.04513	1.1
81.07041	5.8
82.06557	1.3
83.01337	6.4
83.04972	22.8
83.06075	3.3
83.08625	1.4
83.56660	0.8
83.57669	0.7
85.02899	4.4
89.01791	0.7
89.03902	18.0
91.05472	23.9
92.02675	0.7
93.03384	1.4
93.07036	11.8
94.04159	1.8
95.04972	6.5
95.06065	2.2
95.08592	4.0
96.05628	0.8
97.02882	1.8
97.06522	10.3
97.07635	0.9
98.07163	1.6
98.20775	1.3
98.97571	12.0
99.04452	2.2
99.05542	1.2
101.51875	0.9
103.05451	3.5
105.03421	1.1
105.04499	1.2
105.07034	4.3
107.04946	13.7
107.06038	0.9
107.08580	21.1
108.05740	1.3
108.08064	0.9
109.02898	0.8
109.06528	4.6
109.07604	1.7
109.10143	3.2
110.06103	0.9
110.07171	1.6
111.03672	1.5
111.04427	16.2
111.08070	4.7
115.05466	1.7
116.98608	12.6
117.03369	20.6
117.07024	4.8
117.19017	0.8
119.04934	19.4
119.08556	1.2
121.02850	1.6
121.06509	4.3
121.08425	1.1
121.10157	7.0
122.03632	6.0
122.07172	4.3
123.04373	1.6
123.05517	1.6
123.08029	3.3
123.11658	1.0
124.08743	1.8
125.05983	7.5
125.06883	1.1
125.09609	2.8
127.03897	1.6
131.04915	4.2
134.99658	11.2
135.04407	41.2
135.08038	29.4
135.11667	3.1
136.05112	3.1
136.07532	2.8
136.08647	2.2
137.05966	60.9
137.09535	1.0
138.06535	2.3
139.03880	2.5
139.07501	1.7
139.09766	1.5
139.11115	1.5
140.07150	0.8
140.08173	3.2
140.21283	0.7
143.07007	1.8
145.02840	24.8
145.10088	1.5
146.19463	0.8
149.06009	1.7
151.07527	12.0
152.06197	0.9
153.00716	2.2
153.05486	1.8
153.07117	1.3
153.09090	20.9
154.09727	1.3
158.01207	1.3
163.03889	100.0
163.07518	9.2
163.09785	1.3
163.11154	4.2
164.04211	2.9
164.07014	1.3
164.08232	1.5
166.06198	1.8
166.07625	0.9
181.04991	11.4
181.06577	1.8
181.08569	18.3
181.11009	5.3
181.12247	4.6
181.15877	2.3
182.08040	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03937	1.3
55.01863	2.9
55.05511	2.6
57.06806	2.2
57.07069	24.6
59.04998	3.2
61.44599	1.1
67.05489	3.4
69.03397	1.6
69.07053	3.7
69.53540	10.5
71.04978	1.3
75.27683	1.2
79.05478	9.6
81.03416	7.8
81.07034	4.1
83.04971	52.4
83.15765	1.3
83.46738	1.1
86.00626	1.1
91.05475	4.7
93.07026	9.5
95.04966	16.0
95.08599	1.4
97.06520	24.5
98.97568	2.7
105.07016	6.0
107.04935	4.6
107.08587	10.8
109.06491	1.3
111.04358	1.8
116.98624	2.7
117.07026	1.9
119.08560	3.2
121.06487	6.1
121.10125	14.2
123.08067	1.4
125.05981	62.4
130.07742	1.9
131.04512	1.3
133.06409	1.4
134.99678	4.6
135.04405	2.2
135.08034	1.6
135.11678	7.6
143.08542	1.7
145.10103	11.2
151.03920	1.3
161.48836	1.3
163.03894	3.8
163.11163	100.0
164.11539	2.1
165.06866	1.5
166.07903	1.4
181.04921	2.8
181.06316	2.3
181.10100	2.1
181.10365	2.3
181.12207	30.5
181.21049	1.2
182.12613	1.5
185.71375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.53543	0.5
53.03929	2.4
55.01857	2.1
55.05502	7.5
56.96553	2.3
57.03424	1.2
57.07071	3.3
58.20666	0.6
59.05000	3.4
65.03925	2.0
66.11295	0.7
67.05493	9.5
68.05004	0.8
69.03422	13.7
69.07061	7.9
71.01380	0.6
71.04988	7.6
71.54688	0.9
77.03897	0.9
79.05485	31.8
80.05816	0.7
81.03436	1.6
81.07047	7.6
82.14277	0.5
83.04974	13.1
83.06055	0.7
83.08608	11.0
85.02879	0.9
85.06520	2.8
89.03902	1.2
91.05469	8.7
91.87533	0.6
93.07032	25.4
94.07379	0.8
95.04966	9.3
95.08597	13.4
97.02875	7.9
97.06522	34.5
97.09226	0.6
98.06837	0.7
98.97570	14.2
99.08031	0.6
103.05457	1.4
105.04490	0.9
105.07018	11.2
107.04943	7.1
107.08583	19.0
109.06509	2.4
109.10138	5.5
110.03676	0.7
111.04425	7.0
111.08073	5.8
116.98604	14.9
117.03369	1.4
117.06995	2.0
119.04926	1.0
119.08559	6.0
121.06489	4.9
121.10130	76.8
122.07244	2.1
122.10473	1.6
123.08057	100.0
124.08414	1.9
125.05981	8.4
130.07713	1.0
133.07623	0.6
134.99651	9.9
135.04401	4.4
135.08069	2.7
135.11670	15.4
136.07591	1.8
136.12054	0.8
137.05969	2.7
137.09587	8.2
139.03925	1.1
139.07574	1.1
139.11168	2.1
140.00154	1.1
140.08162	1.1
145.02811	1.8
145.10107	11.0
149.06003	1.7
151.07564	0.8
153.00705	2.0
153.12730	1.3
158.01274	1.6
163.03885	11.3
163.07487	1.4
163.11165	13.7
181.04970	7.8
181.06358	0.9
181.08585	2.6
181.10739	1.2
181.12206	16.9
182.00896	0.7
182.08131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03932	3.0
55.01849	1.6
55.05502	42.5
56.96555	5.9
57.03418	2.3
57.07068	12.6
59.04982	1.1
65.03930	1.6
67.05169	1.3
67.05492	13.2
69.03402	4.0
69.07052	6.2
70.77921	2.0
70.78267	1.9
71.01308	1.3
71.04973	1.6
77.14615	1.1
79.05475	10.9
81.07048	11.6
83.04968	17.9
85.06557	5.8
91.05460	14.9
93.07023	34.2
95.04929	8.5
95.08595	20.5
95.98876	1.2
97.06528	16.4
98.97569	29.7
105.07012	14.8
107.04916	3.6
107.07853	2.1
107.08578	42.2
109.06501	7.9
109.10108	4.2
111.04425	100.0
111.08055	10.5
112.04694	2.2
113.06007	5.6
115.05428	1.2
116.97814	1.5
116.98605	24.0
116.99417	2.1
117.06995	4.1
117.77481	1.1
119.08534	4.2
121.06473	5.7
121.10092	4.6
122.07248	2.8
123.08047	3.4
125.05969	67.9
127.07512	4.2
127.94891	1.1
130.07785	6.0
131.74680	1.1
134.99641	14.1
135.08035	29.3
135.11665	29.3
138.06737	4.7
139.07497	3.2
140.00188	1.4
143.08572	1.1
145.10094	22.6
145.11130	2.1
148.08759	1.5
153.12730	5.6
163.11162	23.1
172.32568	1.4
181.12202	60.5
195.28976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.88773	0.6
53.03932	0.9
55.01862	1.8
55.05510	2.7
56.42833	0.6
57.03416	1.1
57.07070	24.2
59.05007	3.3
67.05492	2.1
69.03431	1.2
69.07059	4.8
70.78816	1.9
70.86777	0.5
79.05480	9.8
81.03413	6.0
81.07040	4.2
83.04971	51.2
84.05318	0.9
85.06522	0.7
91.05473	3.5
93.07034	9.2
95.04952	15.3
95.08567	1.4
97.06520	26.0
98.97581	4.2
103.77956	0.5
105.07010	6.3
107.04933	3.1
107.08583	10.4
109.10114	0.7
116.98589	5.1
117.06996	2.4
118.36634	0.6
119.08557	4.4
121.06492	3.8
121.10123	12.2
125.05977	68.5
126.06310	1.3
130.07776	2.5
134.99617	4.4
135.04391	1.1
135.08038	1.1
135.11656	7.4
140.00159	0.9
143.08536	0.6
145.10106	11.7
151.07491	0.6
158.01213	0.7
163.03865	1.6
163.11159	100.0
164.11438	3.1
165.06978	0.9
166.07710	1.5
181.04919	1.7
181.06291	0.7
181.08615	1.2
181.10014	1.3
181.10419	1.0
181.12210	31.1
182.12569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.75817	0.5
53.03942	2.0
55.01868	2.6
55.05504	4.2
56.96560	2.2
57.03429	1.7
57.07068	22.2
59.04990	3.8
65.03912	0.6
67.05489	2.8
69.03403	2.8
69.07059	4.4
69.48729	4.6
71.04972	1.0
73.04910	0.6
79.05484	12.9
81.03403	6.5
81.07043	5.5
83.04969	48.6
84.05323	0.8
85.06512	0.7
89.03918	0.9
91.05460	5.8
93.03384	0.6
93.07035	12.2
95.04956	19.9
95.08587	2.0
97.02866	0.7
97.06519	27.5
98.20734	1.0
98.97572	8.9
103.05473	0.7
105.06348	1.0
105.07011	7.2
107.04906	4.4
107.08575	15.2
109.06503	1.9
109.10101	0.9
111.04457	1.7
111.08092	0.6
114.97373	0.5
115.66309	0.6
116.98603	10.6
117.03383	1.1
117.06989	3.0
119.08570	4.9
121.02811	0.8
121.06492	5.4
121.10122	17.8
122.07139	0.9
123.05556	0.7
123.08035	2.1
125.05973	70.1
126.06313	1.5
130.07753	1.9
133.10181	0.9
134.99649	7.4
135.04395	3.9
135.08026	3.5
135.11670	6.5
136.05234	1.0
136.07610	0.9
137.05969	0.7
137.09605	0.8
137.51004	0.6
139.03874	1.4
139.07420	0.7
140.08141	1.7
145.02884	0.9
145.10109	13.3
146.10440	0.8
149.05933	1.6
151.07581	1.3
153.00679	1.4
153.05469	1.0
158.01193	0.9
163.03865	5.7
163.11159	100.0
164.11542	2.2
174.83615	0.5
181.04988	5.4
181.06409	0.9
181.08719	3.1
181.12206	32.6
182.08142	0.8
182.12494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.73354	0.4
53.03931	1.1
55.01871	3.2
55.05502	4.2
56.96557	1.8
57.03438	0.5
57.07063	1.0
59.04987	0.7
65.03920	1.5
67.05501	3.5
68.05029	0.4
69.03404	1.5
69.07049	1.6
69.63499	1.3
69.63927	1.4
71.04982	1.0
77.03902	0.6
79.05482	14.8
81.03403	0.8
81.07047	6.9
83.04967	3.4
83.08588	0.8
85.02898	0.5
85.06516	0.5
87.04481	0.4
89.03893	1.5
91.05463	9.8
92.27069	0.4
93.07033	44.1
94.07381	0.7
95.04968	3.3
95.06052	0.6
95.08588	3.4
97.02883	0.5
97.06512	3.9
98.20780	0.5
98.97572	9.3
99.04421	0.9
101.05978	0.6
103.05444	1.1
105.04504	0.4
105.07017	7.0
107.04959	2.5
107.08581	18.8
109.06486	0.8
109.07617	0.5
109.10144	0.8
111.04417	2.7
116.97791	0.6
116.98608	9.5
117.03362	1.1
117.07003	1.2
119.04954	0.6
119.08562	10.2
121.06523	3.3
121.10127	100.0
122.07159	0.7
122.10469	3.0
123.04436	0.5
123.05565	0.5
123.08042	2.3
125.05961	2.6
125.09615	0.5
130.07785	0.6
133.07567	0.4
133.10077	0.5
134.99644	7.9
135.04401	3.6
135.08046	3.8
135.11679	10.0
136.05093	0.3
136.07559	0.8
136.11961	0.4
137.05963	1.2
138.06723	0.5
139.03853	1.1
139.07545	0.9
139.09717	0.5
140.00171	0.4
140.08131	0.8
145.02859	1.7
145.10098	5.4
148.05153	0.5
149.05956	0.9
151.07552	1.2
153.00679	1.6
153.05453	0.9
153.09077	0.6
158.01248	1.0
163.03903	6.7
163.07513	0.9
163.11166	17.9
164.07083	0.7
164.11600	0.5
181.04967	4.7
181.06526	0.7
181.08591	2.9
181.10759	0.9
181.12198	6.5
182.08156	1.0
182.19034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03920	1.3
55.01863	3.2
55.05508	4.1
56.96547	1.6
57.03424	1.2
57.07050	0.8
57.70491	0.4
63.43421	0.4
63.97893	0.4
65.03916	1.0
67.05499	2.6
69.03409	0.9
69.07048	1.8
71.04971	1.5
71.11439	1.0
77.03892	0.8
79.05482	15.4
81.07043	7.9
83.04977	2.4
83.08557	0.5
85.06517	0.9
88.73260	0.5
89.03885	0.6
91.05471	7.3
93.07034	47.1
94.07380	0.5
95.04951	1.7
95.06071	0.4
95.08596	3.3
97.06519	3.7
98.97571	13.7
99.04443	1.6
101.05996	0.8
103.05477	1.0
105.04517	0.5
105.07013	6.9
107.04942	1.1
107.07841	0.8
107.08578	17.2
109.06479	1.9
109.10125	0.8
111.04433	0.8
111.08042	0.6
116.98607	12.0
117.03339	0.7
117.07014	1.7
119.04893	0.5
119.08563	10.2
121.06528	2.8
121.10127	100.0
122.10467	2.6
123.08044	2.3
125.05975	2.5
130.07776	0.7
134.99638	8.2
135.04390	1.9
135.08051	1.8
135.10666	0.6
135.11679	10.2
136.07652	0.5
136.12006	0.6
137.05977	1.1
137.09584	0.6
138.06769	0.7
139.03859	0.7
139.07472	0.7
140.00171	0.8
140.08194	0.5
143.62007	0.5
145.02861	0.6
145.10103	6.0
149.05972	0.6
151.07516	1.2
153.00671	1.5
158.01309	1.1
163.03888	4.5
163.07498	0.7
163.11163	17.5
164.11530	0.5
181.04973	2.5
181.06319	0.6
181.08569	1.7
181.12193	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.11187	0.5
53.03939	0.9
55.01847	1.8
55.05498	3.1
56.96561	7.1
57.07064	3.1
59.04983	3.7
61.01864	0.6
67.05490	3.2
67.83703	0.6
69.03404	2.5
69.07051	4.3
70.72760	1.6
71.95245	1.6
73.02879	0.7
79.05478	7.8
79.77327	0.6
80.10369	0.6
81.07045	8.9
83.04970	3.6
83.08606	0.7
91.05465	4.4
93.06466	1.0
93.07036	19.6
94.07349	0.6
95.04936	2.4
95.08593	15.7
97.06532	3.8
98.97569	44.0
105.07018	4.7
107.04925	2.0
107.08578	34.3
108.08862	1.1
109.06503	1.5
109.10120	2.6
111.04420	2.4
111.08048	1.1
116.98605	47.3
117.06987	1.3
119.08543	3.9
121.06503	5.4
121.10123	19.9
121.11008	1.0
123.08055	4.7
125.05973	6.5
130.07767	0.9
134.99638	33.7
135.04367	1.8
135.08029	2.1
135.11670	45.5
136.12059	1.3
137.09561	0.7
137.13211	1.5
139.03874	0.6
139.07507	7.2
140.00146	3.1
145.10112	12.5
151.07544	0.9
153.00703	5.7
153.05444	0.9
153.12732	2.4
158.01227	5.5
163.03853	1.8
163.11162	34.9
164.11441	1.0
176.02245	0.8
181.04936	2.9
181.08702	2.1
181.12207	100.0
182.00826	0.9
182.12537	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03925	1.9
55.01871	1.5
55.05500	6.6
56.96544	3.8
57.03423	1.6
57.07055	3.0
57.96642	1.0
59.04976	1.1
65.03939	1.1
67.05491	7.8
69.03413	1.8
69.07043	3.8
70.01917	2.9
70.02328	1.8
71.04979	1.7
74.19553	0.8
79.05483	7.2
81.07039	7.1
83.04980	4.5
83.05370	0.9
83.08598	1.0
91.05463	10.1
93.07031	29.3
95.04966	5.2
95.08596	14.6
97.06521	13.5
98.97569	30.8
105.07008	7.5
107.04959	1.2
107.08574	20.3
109.06488	3.3
109.10153	1.6
111.04417	4.6
111.08067	8.5
116.98602	26.8
117.06995	1.8
119.08558	2.3
121.06478	3.7
121.10143	2.4
122.07268	1.0
123.08089	1.2
123.59470	0.8
125.05974	70.1
125.09532	1.1
126.06234	1.7
130.07751	1.2
134.99632	19.2
135.08035	6.1
135.11682	20.8
137.06084	1.1
138.06721	8.5
139.03909	1.0
139.07443	1.5
140.00168	1.0
145.10117	8.9
151.07500	1.1
152.06099	1.0
153.00673	1.9
153.06967	2.4
153.12753	6.8
158.01218	3.0
163.03909	1.1
163.11168	18.2
165.07002	4.6
166.07718	3.9
167.08589	0.9
181.04964	2.1
181.06462	2.4
181.10168	6.2
181.12206	100.0
181.15746	2.7
182.10934	1.1
182.12604	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	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01851	1.7
55.05487	2.4
56.96523	0.7
57.03407	0.7
57.07070	21.9
59.05003	3.5
67.05492	1.7
69.03403	1.5
69.07055	3.9
69.30630	6.3
79.05487	8.8
81.03418	6.0
81.07052	4.7
83.04972	45.0
84.05300	0.7
91.05471	3.4
93.07034	7.5
95.04957	17.4
95.08585	0.8
97.06516	26.1
98.97569	2.9
105.07018	5.2
107.04913	2.4
107.08578	11.4
109.06496	0.8
111.07997	0.6
116.98580	2.1
117.06986	2.1
119.08563	4.3
121.06475	3.0
121.10136	12.3
123.08030	0.8
125.05974	67.9
126.06308	1.3
130.07794	3.0
133.10153	1.1
134.99660	4.0
135.04373	1.6
135.08037	1.4
135.11693	5.2
145.10106	10.4
158.01219	1.2
163.03836	2.0
163.11157	100.0
164.11487	3.8
165.07008	0.9
166.07680	1.0
181.04906	1.9
181.06285	0.8
181.08636	1.0
181.09988	1.3
181.12213	30.0
182.05789	1.0
182.12541	1.3
199.17659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01863	3.2
55.05508	4.1
56.96547	1.6
57.03424	1.2
57.07050	0.8
57.70491	0.4
63.43421	0.4
63.97893	0.4
65.03916	1.0
67.05499	2.6
69.03409	0.9
69.07048	1.8
71.04971	1.5
71.11439	1.0
77.03892	0.8
79.05482	15.4
81.07043	7.9
83.04977	2.4
83.08557	0.5
85.06517	0.9
88.73260	0.5
89.03885	0.6
91.05471	7.3
93.07034	47.1
94.07380	0.5
95.04951	1.7
95.06071	0.4
95.08596	3.3
97.06519	3.7
98.97571	13.7
99.04443	1.6
101.05996	0.8
103.05477	1.0
105.04517	0.5
105.07013	6.9
107.04942	1.1
107.07841	0.8
107.08578	17.2
109.06479	1.9
109.10125	0.8
111.04433	0.8
111.08042	0.6
116.98607	12.0
117.03339	0.7
117.07014	1.7
119.04893	0.5
119.08563	10.2
121.06528	2.8
121.10127	100.0
122.10467	2.6
123.08044	2.3
125.05975	2.5
130.07776	0.7
134.99638	8.2
135.04390	1.9
135.08051	1.8
135.10666	0.6
135.11679	10.2
136.07652	0.5
136.12006	0.6
137.05977	1.1
137.09584	0.6
138.06769	0.7
139.03859	0.7
139.07472	0.7
140.00171	0.8
140.08194	0.5
143.62007	0.5
145.02861	0.6
145.10103	6.0
149.05972	0.6
151.07516	1.2
153.00671	1.5
158.01309	1.1
163.03888	4.5
163.07498	0.7
163.11163	17.5
164.11530	0.5
181.04973	2.5
181.06319	0.6
181.08569	1.7
181.12193	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	3.9
55.01860	4.7
55.05494	4.9
56.96556	6.3
57.03419	1.0
57.07061	1.9
59.04975	0.7
59.06114	0.7
65.03918	2.6
67.05495	5.8
69.03422	3.5
69.07045	3.1
70.20473	0.7
71.01324	0.8
71.04974	1.5
71.43359	1.5
71.95251	1.1
75.39225	0.7
77.03906	0.8
78.04674	0.9
79.05482	37.2
80.04980	0.8
81.03409	1.8
81.04521	0.8
81.07047	10.1
82.55336	0.8
83.04965	7.1
83.08598	0.9
85.02904	1.3
85.06534	1.5
87.72202	0.7
89.03893	1.1
91.05466	20.9
91.06001	1.5
93.03409	1.3
93.07031	44.5
94.06602	0.9
94.07367	0.8
95.04943	8.4
95.06039	1.1
95.08595	3.7
97.06522	6.4
98.97570	34.6
103.05477	4.0
105.04520	1.2
105.07010	10.7
106.04162	1.1
107.04950	5.3
107.08580	100.0
108.08913	1.1
109.06499	4.0
109.10160	1.9
111.04421	3.2
111.08052	1.8
116.98605	45.5
117.03313	1.8
117.07005	1.9
119.04870	0.9
119.08575	6.7
119.98203	0.7
120.05675	1.3
121.02866	1.3
121.06495	13.9
121.10130	63.1
122.07089	0.9
122.10442	2.0
123.04465	1.6
123.05535	1.5
123.08054	3.1
125.05976	9.0
134.99640	44.9
135.04388	6.9
135.08023	5.3
135.11676	18.7
136.05211	1.4
136.07538	1.6
137.05952	4.5
138.06650	0.8
139.03880	2.1
139.07564	1.4
140.00180	2.1
140.08179	1.9
140.10699	0.9
145.02831	2.8
145.10100	6.3
148.05309	0.8
149.05960	5.7
151.03918	0.9
151.07520	2.2
153.00664	9.3
153.05470	1.9
153.09074	1.8
158.01224	5.5
163.03896	12.1
163.07547	1.6
163.11168	24.1
164.11714	1.0
165.06941	0.8
166.07800	1.1
176.02379	0.9
181.01306	0.9
181.02702	1.0
181.03200	0.9
181.04948	11.7
181.06403	2.2
181.08586	9.1
181.09999	1.5
181.10672	1.3
181.12177	10.8
181.15880	0.9
182.00961	1.0
182.04428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
51.02390	0.5
51.89673	0.3
52.84866	0.3
53.03935	0.7
55.01852	0.7
55.05514	0.5
56.05016	0.9
56.96552	1.5
57.03422	0.5
59.06119	0.5
65.03932	1.2
67.05489	1.4
67.39285	0.3
67.48778	0.3
68.05025	0.8
69.03419	0.3
69.72598	0.9
69.73003	1.8
70.06569	0.7
70.32806	0.3
72.04496	0.4
74.02428	1.1
74.88982	0.3
79.05481	1.0
80.04997	0.6
80.05815	0.8
81.03401	1.0
81.04521	0.6
81.07040	1.1
82.06593	0.5
83.04988	0.5
83.06091	0.9
84.04488	0.5
84.08147	0.4
85.02904	0.4
90.04234	1.5
91.05470	33.7
92.04967	0.6
92.05791	1.0
93.07024	0.9
94.06552	1.1
95.04949	6.7
95.06072	1.2
96.04468	0.4
96.08125	0.6
97.02884	0.6
97.06494	0.3
98.06044	0.7
98.97569	1.1
98.98435	0.7
101.29747	0.3
103.05449	1.2
105.03388	1.8
105.04526	0.4
106.06545	0.4
107.04955	1.3
108.04492	0.7
108.05233	0.9
108.08096	1.4
109.06529	2.8
109.07582	0.7
110.06018	1.0
111.05563	0.5
113.05928	0.4
116.98624	1.1
118.03716	1.8
118.06551	2.6
119.01917	0.6
119.04929	34.8
119.97906	0.5
120.05284	0.8
121.06474	0.6
122.06013	2.6
122.07124	0.6
123.04420	13.7
123.05452	0.7
123.06790	0.7
123.08016	0.4
124.04752	0.4
124.07571	1.4
125.06027	0.3
125.07113	1.3
126.05482	0.5
128.98598	0.4
133.02817	0.6
134.99638	1.2
135.04385	1.0
135.99997	0.4
136.04761	4.0
136.07558	100.0
136.65131	0.3
137.06012	0.8
137.06973	0.7
137.07948	2.0
139.03879	0.5
140.04504	0.4
140.07040	1.0
140.08162	1.4
141.01842	0.5
141.06487	0.5
146.03206	1.7
146.05946	0.4
147.04390	5.7
150.05475	0.6
153.00726	0.4
154.08591	1.7
158.97400	0.4
160.04524	0.8
161.34961	0.3
164.04248	9.6
164.05742	0.6
164.07057	3.7
164.08202	0.6
164.77536	0.3
165.05475	6.5
165.06804	0.5
176.98410	0.5
177.00710	0.7
182.00900	1.1
182.04352	0.7
182.08055	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	182.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01863	6.0
56.05045	2.2
56.73267	0.7
56.96560	14.0
57.03431	13.2
58.99866	1.1
61.02915	7.2
65.03942	2.4
67.05487	4.8
69.03428	11.1
70.99855	0.9
71.01350	0.8
71.04990	1.1
71.29725	1.4
73.02908	21.2
77.00900	2.9
79.05488	5.0
80.05025	1.4
81.01878	1.5
81.03413	5.5
81.07030	1.9
82.02670	1.0
82.06566	1.7
83.01353	0.6
83.04982	1.0
84.96038	1.8
85.02895	17.6
87.04438	1.0
88.02678	1.9
89.00800	1.6
90.01564	1.0
90.02441	0.9
91.05470	27.3
93.01864	1.4
93.03394	2.1
93.05798	1.1
93.07029	5.3
94.02716	1.6
94.06551	4.1
95.04954	12.6
96.02399	1.7
96.04460	1.2
96.08132	1.4
97.02874	13.9
97.05314	0.7
98.97572	10.9
98.98215	0.9
98.98482	1.0
99.04447	3.6
100.02636	3.4
101.00880	8.5
102.02416	3.9
103.02438	0.7
103.03162	1.3
103.05473	2.7
104.01315	0.7
105.00318	1.1
105.03375	3.2
106.02615	0.8
107.03420	0.9
107.04924	1.3
108.02367	1.8
108.04459	1.6
108.08109	13.6
109.02921	2.8
109.06516	2.9
110.01259	3.0
110.06040	6.9
110.97571	2.2
111.02903	4.6
112.02624	0.7
112.07619	1.0
113.00874	3.6
114.02399	1.3
115.02438	2.8
115.03898	1.4
116.98605	8.4
117.02892	1.2
117.98987	0.8
118.03598	2.4
118.06530	2.8
119.01887	23.5
119.04924	25.0
120.02437	1.2
120.03432	1.0
120.08114	4.5
121.06448	4.5
122.06023	9.3
123.03017	3.9
123.04408	28.2
123.06732	0.7
124.07594	2.2
126.05564	1.2
126.98701	0.8
127.02422	1.0
127.03874	4.1
128.02287	3.1
128.98598	3.3
129.02887	2.4
129.03882	1.4
131.01884	18.8
132.03427	2.0
133.03462	1.9
134.05992	2.0
134.99643	3.6
135.02950	1.7
136.04741	2.2
136.07559	100.0
137.02911	3.9
137.05960	2.6
137.08032	2.2
138.03436	3.6
138.05447	1.8
138.09146	2.4
139.14494	0.7
140.03305	0.8
142.03488	2.2
143.00165	1.6
143.01886	13.4
144.99818	1.9
145.03423	8.4
146.03191	1.8
146.06007	4.0
146.99635	2.5
147.01398	1.5
147.04372	14.0
149.02916	3.8
149.04736	1.3
150.09669	0.8
152.07010	0.7
154.03484	2.0
154.04974	1.4
154.08574	2.8
155.01843	9.6
157.01579	0.9
157.03493	6.2
157.97472	1.1
158.97295	1.1
158.99663	3.9
159.01360	1.9
159.03218	0.8
159.05023	1.3
160.04561	2.4
161.01283	2.0
161.02939	16.8
163.04497	1.3
164.04314	8.5
164.07040	48.3
165.00714	0.8
165.05457	16.6
167.01855	3.8
168.01390	1.3
169.03502	0.8
170.99649	2.0
173.01384	1.0
173.02939	20.2
175.04474	2.2
175.98602	1.4
177.00667	3.7
177.02397	2.9
179.01994	0.8
182.00955	1.3
182.02943	1.3
182.04518	1.0
182.08090	24.6
182.11554	1.0
184.04437	1.3
185.02937	12.4
185.39282	0.8
187.04482	2.2
189.00616	2.9
191.04007	1.9
196.04568	1.2
197.02896	2.1
201.00679	2.2
201.05835	0.7
203.03995	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	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.16451	0.9
53.03941	3.1
55.01865	4.7
55.05512	1.1
56.05019	1.2
56.96559	12.9
57.03429	11.3
58.92065	0.7
61.02929	4.3
65.03929	2.9
67.05497	7.8
69.03411	8.8
69.43002	3.0
69.43414	3.1
71.04990	1.1
73.02909	14.3
74.97591	0.9
77.00872	1.1
79.05478	10.1
80.04982	1.4
81.03408	3.0
81.07039	2.8
82.06577	1.9
82.99802	0.9
83.04984	1.2
84.96022	2.5
85.02901	9.5
88.02666	1.9
89.00807	1.0
89.03925	0.9
91.05471	28.8
92.01296	1.0
93.03385	2.2
93.05785	2.4
93.07040	6.2
94.06551	4.1
95.04958	16.1
96.08125	1.4
97.02879	9.0
97.05272	1.6
98.97572	13.3
98.98225	1.2
99.04458	1.8
100.02569	1.8
101.00873	4.3
102.02412	2.4
103.02475	0.8
103.05474	4.3
105.03374	3.4
105.04527	1.3
107.04925	1.5
108.04478	1.7
108.08109	17.6
109.02910	1.6
109.06477	3.4
110.01289	2.5
110.06026	9.7
110.97541	2.3
111.02912	3.1
111.04448	0.9
112.02610	1.2
113.00856	2.3
113.01694	0.9
113.04845	0.8
115.02398	1.1
116.98599	7.1
118.03625	1.4
118.06519	5.8
119.01883	15.8
119.04929	23.2
120.02397	1.0
120.03429	0.8
120.08096	4.8
121.05125	1.0
121.06501	5.3
122.06012	8.3
123.02055	1.3
123.02966	1.7
123.04417	23.9
124.07612	1.7
126.98801	1.0
127.03970	2.7
128.01334	0.9
128.02301	2.3
128.98622	3.2
129.79985	0.8
131.01892	11.3
132.03419	2.4
133.03441	2.1
134.05988	2.4
134.99672	2.3
136.04747	2.5
136.07562	100.0
137.02910	3.0
137.05960	3.8
137.08269	1.9
138.03391	1.6
138.05501	1.7
138.09134	2.3
140.07051	1.3
140.98608	1.0
142.03441	1.4
143.00194	1.2
143.01889	7.4
144.99754	1.9
145.03430	5.8
146.03218	1.3
146.06001	4.1
146.99612	2.4
147.04391	15.7
149.02919	2.5
154.03554	1.1
154.08627	3.4
155.01920	7.3
157.03421	3.4
158.97176	1.4
158.99634	3.1
159.01422	1.0
161.01297	2.2
161.02946	10.3
164.04300	4.5
164.07048	57.8
165.05455	16.5
165.07472	1.3
170.99644	2.3
171.01186	1.0
173.02933	13.3
174.21713	0.8
175.04561	1.5
176.98254	1.1
177.00696	3.8
177.02390	2.2
181.98994	1.0
182.04561	1.3
182.06761	0.9
182.08101	24.7
182.11717	1.0
184.04404	1.0
185.02913	5.8
187.04535	1.6
189.00659	1.7
197.02950	1.4
201.00670	2.1
203.04031	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03940	0.8
55.01858	1.3
55.05249	0.8
55.05503	10.3
56.05026	0.8
57.03422	2.4
57.07071	3.6
58.02954	40.3
65.03951	0.7
67.05499	25.0
69.07062	74.7
70.06572	2.5
70.07376	1.3
70.08472	2.5
70.08892	1.1
71.04984	0.9
71.08627	0.7
74.06059	2.2
79.05484	7.8
81.07048	25.4
82.06564	1.0
83.04966	2.2
83.08612	9.0
84.07675	0.8
84.08131	9.9
85.06518	0.9
86.06058	1.3
87.16996	0.6
91.05472	4.9
93.07036	13.9
94.06537	0.6
95.04953	3.9
95.08598	8.3
96.08111	0.8
97.06085	0.5
97.06532	5.6
98.06049	2.7
98.09696	3.0
98.20805	0.9
98.97602	1.3
98.98451	1.3
99.97906	1.1
100.07612	8.5
105.03373	1.3
105.06358	1.0
105.07024	15.2
107.08581	22.3
108.08908	0.8
109.06506	2.6
109.10144	53.2
110.10471	1.4
111.08049	0.7
112.07610	2.7
114.09151	15.0
116.98578	1.1
117.98963	0.6
119.08577	1.8
121.10123	2.4
122.05978	0.6
123.08073	1.0
123.11699	9.3
125.13181	0.7
126.09142	14.4
126.12782	2.0
128.10655	0.9
131.08592	0.6
133.10117	33.3
134.10448	1.4
134.99632	1.0
135.10637	1.3
135.11676	22.3
136.07565	1.1
137.13188	1.1
138.12764	26.0
140.10703	1.2
140.14293	1.1
147.11653	5.2
151.11166	10.7
153.12730	16.0
154.15878	1.4
164.07014	0.8
164.14360	3.0
165.12766	3.1
182.00858	0.7
182.08163	1.1
182.15392	100.0
183.15735	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	183.0915
Annotation	Harman
Peak:m/z	Relative Intensity
51.10148	0.8
53.03933	2.9
55.01846	2.3
56.05023	1.7
56.96535	2.3
59.06120	4.2
65.03925	1.0
67.05503	4.5
68.05004	1.3
69.03414	1.7
70.06552	2.2
70.58073	0.8
71.04984	1.9
71.54440	1.5
77.03889	0.9
79.05462	2.2
81.03391	1.9
81.07027	3.5
82.06567	1.4
83.02405	0.9
83.06083	2.7
85.02869	1.5
85.06536	0.9
91.05457	3.4
93.07024	2.1
95.01345	0.8
95.04953	17.3
95.06018	1.1
95.08569	2.4
96.06918	0.8
97.02873	1.8
97.07637	2.1
98.06024	1.1
98.97568	2.1
98.98446	7.3
99.04395	0.9
99.05544	1.7
105.03385	12.7
105.04486	1.9
105.07001	1.4
107.04960	3.9
109.02838	1.3
109.06481	2.6
109.07620	2.3
109.10146	2.7
110.07163	1.1
111.04427	0.8
115.05419	2.9
116.06198	1.6
117.05733	2.3
119.01926	1.5
119.04938	1.4
119.08553	2.3
119.83689	0.9
120.87967	0.7
121.06444	1.4
121.10117	0.9
122.07127	1.2
122.09835	0.7
123.04426	11.0
123.08031	2.8
123.43065	0.8
124.04925	0.8
124.07589	1.4
124.08677	2.4
125.05940	2.4
125.07082	3.6
127.01540	1.2
128.06200	1.7
129.06992	13.7
130.66402	0.8
133.02823	3.4
135.81921	0.8
137.05949	5.1
137.09584	1.7
138.05496	0.8
138.09099	2.8
140.04628	4.1
140.08234	1.0
141.05457	1.2
142.06482	2.3
143.07286	100.0
144.07622	2.3
147.04369	4.0
147.07967	1.0
148.08646	1.7
149.05865	1.1
153.05440	0.8
153.06992	1.7
154.06479	6.0
155.07074	3.6
155.08423	1.9
156.08072	60.2
157.08476	1.6
165.04324	1.1
165.05565	1.7
165.09061	1.6
166.08607	3.5
166.09808	1.7
167.07283	1.5
168.06798	1.6
168.09322	2.7
174.09149	2.3
182.08356	3.1
183.06502	2.3
183.09154	84.0
183.11797	4.4
184.03729	1.3
184.09605	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	183.1014
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03939	2.0
55.01866	17.4
55.05503	5.2
57.03424	3.0
57.07067	1.2
58.50147	0.7
59.04967	0.7
65.03931	1.9
67.05496	49.7
68.05829	1.3
69.03420	6.1
69.07052	3.8
69.87871	1.2
69.88281	2.2
71.04990	7.1
79.05485	13.0
81.03426	0.7
81.07047	42.1
82.07408	0.7
83.04990	1.1
85.06533	3.7
91.05463	2.7
93.07028	4.5
94.07340	0.7
95.04955	11.6
95.08596	16.3
97.06519	9.8
98.98476	3.3
99.04456	6.6
99.08062	2.6
105.03396	5.7
107.04916	0.7
107.08579	2.5
109.06500	4.0
109.10144	100.0
110.10523	1.5
111.08067	1.3
113.05996	6.7
119.08544	3.1
121.10138	3.3
123.04412	3.8
123.08035	3.7
125.05978	41.3
127.07538	0.8
137.06001	1.0
137.09605	31.0
140.04669	2.1
143.07027	6.8
153.06926	0.6
153.09113	2.8
155.07047	1.0
155.08473	0.6
155.10603	5.6
165.09094	17.0
168.09283	1.4
183.06529	1.6
183.08209	0.9
183.10172	14.9
183.11685	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	183.1014
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.30564	0.3
53.03943	1.8
55.01867	3.5
55.05489	1.3
56.05011	1.2
57.03426	0.9
59.06114	2.3
65.03932	0.9
66.04706	0.6
67.05495	7.1
68.05009	0.6
69.03407	1.3
69.07047	0.7
70.06573	0.9
71.04987	1.9
71.52908	0.4
77.03893	0.4
79.05481	9.1
79.44896	0.3
81.03396	1.0
81.07047	7.2
82.06572	0.6
83.04980	1.0
83.06081	1.2
83.08569	0.4
84.04492	0.4
85.02883	0.8
85.06531	0.7
86.08437	0.4
86.82478	0.4
89.03922	0.3
91.05461	2.9
93.07042	1.8
94.04172	2.8
95.04958	9.3
95.06031	0.6
95.08601	3.7
97.02856	0.6
97.06519	2.0
97.07631	0.9
98.06018	0.4
98.07152	0.4
98.98457	4.4
99.04440	3.6
99.05528	0.6
99.08059	0.5
103.05458	3.1
105.03380	6.9
105.07015	32.3
106.07368	0.6
107.04934	1.1
107.08570	0.7
109.02862	1.3
109.06508	2.8
109.07632	1.3
109.10139	10.1
110.06015	0.4
110.10499	0.3
111.04410	1.1
111.09187	0.4
113.05950	1.7
115.05434	0.7
119.01909	0.5
119.04945	0.5
119.08573	2.8
121.10129	0.6
122.03631	8.4
122.07185	0.5
123.04435	4.2
123.08067	2.3
123.11699	0.7
124.05152	1.1
124.07637	0.4
124.08686	1.2
125.05979	7.5
125.07074	1.2
125.09609	0.3
127.01520	0.9
127.09451	0.3
129.06926	0.4
133.06474	27.4
134.06758	0.4
137.05957	100.0
137.09541	4.9
138.06313	2.4
138.09164	0.4
138.10199	0.3
138.29680	0.3
140.04665	1.4
140.08191	0.4
141.05414	2.1
143.07062	2.6
145.02785	0.5
147.03343	0.3
147.08015	1.3
153.05566	0.4
153.06995	0.9
153.09056	0.7
155.07019	1.3
155.08481	1.5
155.10596	0.7
156.08044	0.6
160.12135	0.3
165.04414	1.3
165.05629	0.4
165.09091	10.5
166.09698	1.0
168.04214	0.4
168.09308	1.4
169.04924	3.0
183.02985	0.3
183.06683	1.5
183.10414	4.0
183.11801	1.0
183.13736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1014
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
53.03941	6.7
55.01868	18.5
55.05509	5.9
56.04998	1.2
56.96545	1.6
57.03421	3.6
57.07045	1.3
58.06583	1.8
59.06109	6.8
61.45510	1.3
65.03946	2.3
67.05499	44.3
68.05019	1.7
69.03403	7.8
69.07050	5.3
70.06568	4.2
70.54787	5.1
71.04994	8.3
71.07526	1.2
72.04477	1.2
72.08181	1.2
77.03918	2.1
79.05488	29.8
81.03389	3.6
81.04561	1.5
81.07052	43.6
82.06557	2.6
83.04974	2.0
83.06084	3.5
84.04530	1.3
85.02899	2.3
85.06544	3.9
86.08418	1.8
91.05472	11.5
93.07037	12.2
94.04185	3.5
95.04957	34.5
95.08603	14.9
97.02919	1.6
97.06515	14.4
97.07635	4.0
98.06024	1.2
98.98455	16.4
99.04438	8.6
99.05553	3.2
99.08081	3.3
101.15170	1.2
103.05453	3.8
105.03376	25.1
105.04480	2.5
105.07018	34.8
107.04965	2.8
107.08598	3.6
109.02864	1.8
109.06506	11.9
109.07652	5.1
109.10144	73.1
111.04435	6.0
111.08070	2.0
111.73539	1.2
113.05980	12.5
119.08554	11.4
121.10151	6.4
122.03632	10.6
123.04415	19.4
123.05324	1.9
123.08081	12.4
124.08706	3.9
125.05980	48.1
125.07066	5.6
127.01521	1.6
127.07571	1.4
129.06949	1.4
133.02805	1.5
133.06479	23.5
135.08060	1.4
137.05962	100.0
137.09601	29.3
137.10414	0.9
138.06323	3.0
138.10187	1.3
139.07526	1.7
140.04674	4.2
140.08170	2.1
141.05426	2.6
143.07108	16.3
147.08052	9.1
153.07043	2.6
153.09135	3.7
155.07039	3.4
155.08522	2.2
155.10632	4.2
156.08073	3.9
160.04588	1.4
165.04375	2.1
165.05582	2.5
165.09096	43.9
166.08513	2.2
166.09769	2.5
168.09335	6.1
169.04944	3.5
182.67822	1.5
183.06506	3.5
183.10304	28.0
183.11745	4.9
185.41666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
51.88610	0.9
52.01426	0.8
53.03930	3.3
55.01617	1.3
55.01867	12.9
55.05505	6.3
57.03422	3.0
57.07050	1.1
59.04985	0.9
59.06102	2.9
67.05498	51.5
69.03412	4.1
69.07047	3.5
69.98442	4.4
70.06561	1.0
71.04977	5.8
71.29237	1.1
76.12095	1.1
79.05486	21.2
81.07048	56.7
83.01331	1.0
83.04967	2.3
83.06086	1.3
83.84790	1.1
84.26493	0.8
85.02885	2.4
85.06527	2.9
85.86002	0.9
91.05473	7.4
93.07045	8.1
95.04961	22.2
95.06071	1.2
95.08596	19.1
97.02866	1.6
97.06512	9.6
97.07599	1.3
97.41904	1.0
98.98418	5.0
99.04439	6.4
99.08079	4.0
105.03381	12.5
105.04501	1.4
105.07008	2.6
107.04935	2.6
107.08576	3.0
109.02877	1.2
109.06505	22.8
109.07624	2.1
109.10143	100.0
110.10494	2.0
111.04429	6.5
111.08037	1.2
113.05971	5.3
117.06959	1.5
119.01818	1.3
119.08565	11.0
121.06504	1.3
121.10142	5.9
123.04424	9.0
123.08057	8.4
124.08630	1.7
125.05057	1.9
125.05979	38.9
125.06984	2.1
127.03877	1.2
137.05984	5.5
137.09595	37.1
140.04680	2.1
143.07028	8.5
147.07991	9.0
153.09111	2.4
155.07095	1.6
155.08432	1.7
155.10672	4.1
165.09093	27.8
165.10489	1.4
166.09618	1.6
168.09354	2.2
183.06551	1.6
183.08177	1.9
183.10173	17.8
183.11684	3.1
201.18813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1014
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03944	8.7
53.93456	1.7
55.01864	32.0
55.05484	8.8
56.05022	4.4
56.96548	3.8
57.03417	7.4
57.07042	3.0
59.06114	11.3
62.96916	1.9
65.03921	5.6
67.05496	59.6
69.03426	14.2
69.07046	6.7
69.40587	17.0
70.06578	2.8
71.04986	21.4
79.05482	44.6
80.05792	2.0
81.03405	6.0
81.07049	57.2
83.04971	15.4
83.06078	3.3
85.02914	2.6
85.06544	8.6
85.07652	2.8
88.00449	2.1
91.05463	11.5
93.07022	9.6
93.62294	1.7
95.04952	43.4
95.08598	42.3
96.05299	1.7
97.02879	2.4
97.06525	30.0
97.07641	4.7
97.80228	1.8
98.06013	2.3
98.07196	2.1
98.20683	1.9
98.98449	18.7
99.04446	34.3
99.05527	3.5
99.08078	6.4
105.03374	38.7
105.07024	6.2
107.04939	3.5
107.08585	7.3
109.02844	4.4
109.06521	18.5
109.07612	6.2
109.10143	100.0
110.06040	2.1
110.10518	1.7
111.04423	4.2
111.08064	9.3
112.08748	2.5
113.05986	17.9
113.09618	1.9
119.01881	2.1
119.08586	11.1
121.06465	2.7
121.10164	5.3
122.07305	2.7
123.04421	19.6
123.08048	21.6
123.11681	2.5
124.08723	6.4
125.05980	85.9
125.06976	5.0
126.06374	2.7
127.01576	2.5
127.03909	18.1
127.07554	4.0
133.02831	2.1
133.12933	1.8
137.05997	9.0
137.09601	75.5
138.10007	2.8
139.07509	3.2
140.04675	7.8
140.08176	4.2
141.05440	2.9
141.07684	1.8
141.09129	2.0
143.07007	24.9
147.08022	4.0
147.11565	1.9
153.07004	3.4
153.09102	8.6
155.07088	3.1
155.08543	6.8
155.10680	5.1
165.05487	3.2
165.09099	51.9
165.12804	2.7
166.09726	3.4
168.09332	5.0
183.06544	5.9
183.08209	5.8
183.10156	68.6
183.11682	8.9
186.26190	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	183.1378
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.03944	6.0
55.01852	1.1
55.05508	13.2
57.03414	3.7
57.07071	28.6
59.04971	2.9
65.03934	1.2
67.05497	27.5
69.03423	8.3
69.06715	1.5
69.07061	20.9
69.88753	2.0
69.89159	4.8
70.07381	1.3
71.04985	8.7
71.08595	1.9
71.95256	1.2
77.03909	1.3
79.05473	8.2
81.03411	1.4
81.07048	54.2
83.08604	3.4
85.06536	15.8
85.79346	1.1
91.05466	2.3
93.07014	7.3
95.04952	19.2
95.08595	100.0
96.08929	1.8
97.06516	1.2
97.10152	1.3
98.21362	1.5
98.98454	6.2
101.95026	15.0
105.03379	73.8
105.07017	2.9
106.03744	1.8
107.08553	5.2
109.06509	15.8
109.09444	1.8
109.10147	26.0
110.07281	2.3
111.08043	3.5
113.05994	16.9
119.08545	5.0
119.96059	6.8
121.10153	2.6
123.04414	3.7
123.08048	28.6
123.11671	6.2
127.01537	1.3
127.07513	4.0
128.19807	1.0
137.06007	1.0
137.09601	2.1
137.13234	61.8
137.97079	5.9
138.13518	1.2
140.04623	1.5
147.11656	4.3
155.07004	1.3
155.98145	1.9
160.98737	1.8
165.12738	31.5
168.09317	2.9
178.99640	1.2
183.06641	1.4
183.08043	5.7
183.09538	2.0
183.11676	3.7
183.13782	28.0
183.15483	2.4
183.17352	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	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.3
57.38251	0.3
58.75652	0.3
69.27157	0.3
70.70642	0.8
82.99815	1.0
84.89045	0.3
100.02503	0.3
101.00861	21.9
102.00941	1.1
105.13692	0.3
118.03484	0.3
119.01898	100.0
120.01991	5.0
121.01582	0.4
121.02348	0.5
124.02446	1.4
133.03447	0.4
137.02931	34.8
138.03052	1.6
142.03473	21.6
143.03633	2.0
144.03183	0.5
153.69322	0.3
158.06586	0.5
160.04523	7.8
161.02943	7.8
161.04686	2.1
162.04280	0.4
165.05019	0.8
179.03990	11.1
179.05621	0.9
180.04079	0.4
184.04520	1.1
202.05565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
50.05544	0.2
53.03966	0.5
55.01879	0.4
55.05533	0.4
55.64563	0.2
55.64858	0.3
56.05052	0.5
56.96558	5.6
57.03465	0.9
58.06608	0.3
58.91116	0.3
60.08194	0.3
61.02930	0.6
65.03932	1.5
67.05535	0.7
68.05054	0.8
69.03458	0.8
69.07083	0.3
70.06583	1.4
70.15920	0.7
70.16342	0.5
71.95297	0.4
72.08163	0.3
73.02898	1.5
79.05518	0.3
80.05029	0.4
81.03416	0.5
81.05854	0.3
82.06592	1.1
83.00788	0.4
83.06126	0.4
84.04539	1.1
85.02902	1.4
86.06084	0.4
86.09702	2.2
87.04504	0.3
92.01336	0.3
92.04995	1.5
94.06560	0.5
95.04985	0.5
96.04500	0.8
96.08115	0.4
97.02883	1.7
97.07672	0.4
98.01310	0.4
98.06079	0.4
98.07225	0.3
98.97578	2.6
98.98508	0.5
99.04461	0.3
101.00851	4.0
101.01432	0.3
101.95018	1.6
105.03396	0.6
106.03764	0.3
107.01805	0.6
108.04507	0.3
109.02875	0.3
109.07660	0.6
110.01292	1.0
110.06050	1.8
110.07191	0.4
110.09679	0.3
110.97562	0.4
111.04443	0.4
112.01039	0.5
114.05502	0.3
116.07097	0.4
116.98598	1.7
118.01036	0.5
118.03526	0.4
119.01898	36.0
119.96093	0.9
120.02005	1.7
120.04470	1.5
121.01550	0.7
121.97590	0.4
122.06037	0.4
123.04419	1.5
124.03962	0.5
124.07628	0.4
124.08678	0.4
124.99977	1.9
125.06095	0.3
125.07111	0.4
126.05486	0.5
127.03862	0.3
127.08777	0.3
128.02284	1.8
128.98630	0.8
133.01556	0.7
133.45723	0.3
134.99635	1.7
137.02934	16.7
137.97081	1.0
138.03105	0.7
138.05479	6.0
138.06487	0.4
138.09152	0.6
139.01514	0.7
139.03931	0.4
142.01822	0.4
142.03494	6.9
143.00139	0.6
143.01898	0.3
143.03726	0.4
144.98093	0.3
145.01508	0.6
146.99641	0.7
148.03909	67.6
149.04288	1.4
149.20129	0.3
154.02010	0.8
155.98083	0.6
158.99632	0.4
160.03209	0.4
160.04538	3.9
161.01279	1.3
161.02936	3.7
161.04486	0.8
162.99081	0.6
166.04974	100.0
167.05334	1.7
172.00320	0.4
177.00677	0.3
179.03975	3.6
179.05409	0.4
184.04533	0.8
184.05991	12.9
184.07370	1.6
184.09593	1.1
184.10925	0.4
189.00818	0.4
201.00565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.47759	0.4
54.20547	0.4
56.05030	1.2
58.06599	0.6
60.08155	20.5
69.24565	5.0
70.06575	0.8
71.07362	13.9
71.95243	0.7
72.07697	0.5
77.57823	0.4
79.05487	0.4
81.07037	0.5
86.09692	100.0
87.10031	1.7
93.07038	0.6
98.98452	20.4
101.95018	10.8
104.10727	5.1
105.03400	0.9
106.03708	1.0
116.99493	0.7
119.96048	7.4
124.07543	0.7
124.99986	82.6
137.97084	8.8
138.09151	0.4
142.07722	0.4
142.97600	0.6
143.01025	1.3
143.08540	2.0
155.98151	3.7
160.98669	3.5
166.02646	0.7
166.08591	0.9
178.99759	1.1
184.07314	94.4
185.07657	1.3
185.09451	0.8
185.13277	0.5
204.23883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	CHEBI:87777
Peak:m/z	Relative Intensity
53.03932	9.0
54.39906	3.0
55.01876	18.2
55.05503	54.6
55.72681	2.6
57.03425	15.3
57.07070	18.2
58.96532	3.1
59.06112	4.1
59.70889	2.6
65.03922	3.7
67.05233	2.7
67.05505	31.8
68.99772	4.8
69.03407	13.3
69.07069	20.9
70.06554	5.2
71.01361	3.6
71.04988	14.4
71.52597	3.5
71.52975	5.0
72.08130	3.2
75.54654	2.6
79.05486	96.3
81.06575	5.3
81.07049	93.7
83.04980	26.0
83.06102	3.6
83.08609	11.1
84.04482	8.0
85.02879	14.7
85.06546	16.5
86.09699	11.3
87.04444	4.2
91.05465	18.4
93.07041	46.2
95.04938	9.2
95.08609	16.5
97.06532	11.3
97.07595	3.0
97.10157	40.1
98.06028	4.2
99.08057	3.7
99.93270	3.3
103.05528	3.4
105.07012	12.4
107.04887	4.2
107.08582	100.0
109.02819	5.4
109.06494	11.2
109.10146	4.6
111.04430	15.9
111.08080	6.2
113.05982	3.1
114.05544	19.3
115.05346	3.0
117.03349	3.3
119.01978	3.0
121.00680	4.0
121.06520	5.2
121.10124	31.2
122.05975	4.6
123.08041	3.4
125.02314	3.4
125.05991	14.2
125.06857	2.8
125.09617	95.5
126.05487	11.0
127.03922	4.1
128.06168	8.0
129.05470	4.6
129.06990	22.3
131.08531	6.4
137.05858	2.8
139.01816	6.8
139.03847	3.2
139.07529	5.2
139.11156	4.8
140.07057	6.4
140.08163	2.9
141.06981	5.7
142.02509	4.2
142.07761	19.1
143.08588	14.9
144.06595	3.8
144.07706	5.5
145.02850	6.2
149.02249	3.5
149.05934	2.9
149.09573	9.2
156.09340	4.5
157.05016	5.0
157.06427	6.4
157.10150	22.1
163.01852	5.6
167.03391	3.3
167.06958	6.9
167.08382	3.7
167.10670	13.3
168.07716	5.1
168.11339	3.7
170.05940	5.2
170.10933	9.5
181.02815	10.7
184.07524	25.4
185.04431	6.7
185.05821	4.9
185.08203	15.1
185.09602	11.7
185.13170	28.0
185.14774	3.2
185.15268	2.8
186.07596	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	185.1171
Annotation	(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03930	4.2
54.81190	1.2
55.01868	11.1
55.05505	48.5
57.03421	5.9
57.07070	7.6
65.03922	1.5
67.05495	16.2
69.03428	7.0
69.03740	1.6
69.07072	8.4
71.01328	2.6
71.04996	5.0
79.05485	97.6
80.05805	1.7
81.07046	100.0
83.04971	27.3
83.08599	4.3
85.02894	2.1
85.06541	5.0
88.33519	1.2
91.05472	13.6
93.07036	23.8
95.04981	2.3
95.08573	5.9
97.06500	1.5
97.10162	34.8
105.07021	10.4
107.04916	2.2
107.08580	91.3
109.06511	10.1
111.04413	5.7
115.03930	2.6
121.10140	16.3
125.05988	5.1
125.09615	67.2
129.05449	2.6
131.08577	3.6
139.11159	2.7
142.07765	2.6
143.08492	2.7
149.09589	5.6
157.10052	2.5
167.10670	4.9
185.09642	2.1
185.11777	2.4
185.13278	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	185.1322
Annotation	Chamazulene
Peak:m/z	Relative Intensity
54.88656	0.5
55.01857	1.7
55.05490	2.2
64.07136	0.5
66.11343	0.6
69.03411	0.6
69.07043	0.7
70.38815	0.6
70.42037	2.4
79.05473	1.5
81.07003	0.7
84.04483	1.2
85.02882	2.0
91.05465	2.1
93.07024	1.9
103.77666	0.7
105.07014	4.6
107.08531	0.6
112.07549	0.6
114.05505	2.3
115.05441	3.9
116.24359	0.5
117.06981	0.8
119.08555	1.1
120.70277	0.6
121.06348	0.5
122.02161	0.6
126.05489	1.6
128.06207	20.3
129.07001	17.7
131.08548	1.5
138.98883	0.9
139.07542	0.6
141.06978	13.8
142.07765	43.0
143.03374	0.6
143.04900	1.3
143.08548	44.8
144.06631	0.7
144.09203	1.2
145.06465	1.3
152.06221	1.7
153.06984	1.1
155.05946	0.9
155.08537	27.5
156.09341	17.7
157.06531	2.8
157.10115	50.1
158.10472	1.7
167.08578	2.4
169.06503	1.1
169.10150	3.0
170.07249	7.1
170.10893	60.4
171.07971	1.8
171.11221	2.3
185.05972	1.2
185.09622	40.3
185.13240	100.0
186.07602	1.7
186.10236	3.8
186.13564	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	186.1123
Annotation	Ecgonine
Peak:m/z	Relative Intensity
52.79739	0.7
53.03926	1.8
55.01853	3.4
55.05502	4.0
55.93514	0.8
55.94612	1.1
56.05024	2.5
56.96287	1.2
56.96558	21.7
57.03430	3.8
58.06594	8.8
58.99845	0.8
59.04998	5.9
60.04525	1.1
60.59007	0.6
61.02900	2.5
65.03934	8.7
67.04225	2.7
67.05164	1.3
67.05495	17.9
68.05007	5.6
68.05811	3.3
69.03421	8.5
69.07034	0.9
70.02947	0.9
70.06582	1.9
70.38031	2.9
71.01348	0.8
71.04977	1.0
72.93772	1.0
73.02902	1.7
74.06064	1.3
76.07633	0.9
77.00894	1.3
79.05492	7.3
80.04991	4.2
81.03407	4.7
81.05769	1.0
81.07032	3.1
82.06570	51.1
83.04972	7.8
84.04488	5.4
84.08126	1.2
84.96005	2.1
85.02883	8.6
86.06065	4.7
89.00761	0.9
89.03898	1.4
91.05479	2.3
92.04978	2.1
93.03390	7.1
93.05794	1.2
93.07002	1.7
94.06547	7.2
94.07155	1.0
94.07362	1.1
95.04951	9.6
95.08566	1.2
96.04485	2.7
96.05249	1.0
96.08113	1.9
97.02873	3.1
97.06503	2.3
98.06037	3.8
98.97563	5.2
99.04459	1.3
100.02456	1.4
100.03987	0.8
100.07587	1.3
101.00831	2.5
103.00591	2.5
103.02332	2.7
103.05435	1.3
104.01976	0.8
105.03362	0.9
105.07040	4.7
107.04917	3.2
107.07323	2.0
108.02384	1.1
108.04458	1.6
108.08086	2.7
109.02853	3.5
109.05251	4.2
109.06490	2.2
110.06026	90.8
110.09648	0.9
111.04419	7.1
111.06371	1.6
112.03937	1.7
112.04707	1.0
112.07605	3.8
113.00000	3.0
113.02351	2.7
113.03453	1.2
114.05505	6.3
115.02391	1.8
115.05423	1.5
116.51385	1.1
116.98573	3.8
117.02054	2.4
117.03365	3.0
117.05733	1.3
118.03464	1.0
119.01904	11.4
120.02013	2.3
120.08064	4.6
121.01656	19.4
121.02873	2.5
121.06477	1.5
122.06022	5.8
122.09664	10.1
123.01163	2.5
123.02010	1.3
123.04408	1.6
123.08022	2.1
124.07559	3.1
125.04435	1.0
125.05953	1.4
126.05502	8.5
127.03923	2.2
128.02263	1.4
128.07066	9.2
128.98616	1.4
130.06464	1.4
131.01860	2.3
131.04927	1.5
131.96144	1.2
132.01990	1.4
132.08076	3.0
133.03423	1.6
133.06493	2.6
134.99628	2.4
135.03073	1.1
135.04352	1.6
137.02924	2.6
138.05493	5.3
138.09120	2.6
139.02669	8.8
139.03862	2.6
140.03395	1.4
140.07053	8.4
140.10687	14.4
141.02165	1.5
141.03879	0.8
141.05476	0.9
142.03456	1.4
142.08563	1.1
143.96123	1.2
144.03220	3.5
144.06555	3.4
144.95839	1.2
144.99763	1.6
146.99612	1.2
149.97205	1.8
150.05501	3.1
150.09116	12.5
151.03877	0.8
151.07564	1.8
153.03938	1.1
156.06493	1.0
156.10181	1.7
157.01653	1.0
158.08078	1.0
159.05045	1.3
159.08057	1.3
161.01115	1.1
161.97174	2.1
162.03029	1.1
162.04318	0.9
162.06139	1.1
162.99222	1.2
163.00867	2.7
163.02657	2.5
168.01395	2.0
168.06485	5.1
168.10175	43.2
169.01765	2.4
169.10576	1.0
170.02039	1.1
171.05000	2.9
173.00890	2.0
173.02867	0.9
174.02962	1.0
181.03571	2.5
185.01251	0.8
186.05858	2.3
186.07661	12.7
186.11229	100.0
186.18504	1.3
187.02583	2.2
187.03964	2.4
187.11446	3.4
189.00729	1.0
197.01128	1.2
197.02827	1.5
204.07130	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	187.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
67.05496	0.8
69.03406	0.5
70.71120	0.5
70.71494	0.5
71.05014	0.2
79.05475	0.5
81.03403	0.6
81.07064	0.4
84.04485	0.6
88.02172	0.4
91.05468	2.4
95.04980	0.3
98.20847	0.2
103.05453	0.3
105.07022	5.4
115.05441	1.9
116.06255	0.5
117.06996	4.0
119.08570	11.8
127.03908	0.3
128.06204	2.2
129.06990	12.0
130.07784	1.5
131.04890	0.8
131.08553	8.6
141.06953	0.9
142.07729	1.0
143.04875	0.4
143.08554	1.8
144.05728	0.5
144.09326	19.1
145.06461	0.8
145.10156	1.4
147.08020	0.9
153.06927	0.3
154.07735	1.1
157.06487	1.6
157.10121	2.0
158.07211	0.5
159.08090	1.8
159.11673	27.8
160.11945	0.7
169.10109	2.0
171.08018	0.9
172.08807	10.3
173.00815	0.4
175.11072	0.3
185.09578	0.4
186.10394	0.5
187.03854	1.6
187.07755	2.1
187.11157	100.0
188.11490	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	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
53.03934	0.2
55.05506	0.1
57.30761	0.1
60.06276	0.1
65.03943	0.1
65.66242	0.1
65.70809	0.1
65.90198	0.1
67.01856	0.1
67.05495	0.9
69.03411	0.3
70.18525	0.1
71.52911	0.1
77.03928	0.1
79.05480	0.4
81.03391	0.3
81.07056	0.2
84.04491	0.4
85.02908	0.2
85.28862	0.1
85.79799	0.1
86.32870	0.1
88.02207	0.3
91.04884	0.1
91.05464	2.5
95.04932	0.2
95.08562	0.1
97.02906	0.1
103.05452	0.3
105.07018	5.9
106.07359	0.2
115.05419	1.4
116.06238	0.6
117.06996	4.0
119.08564	10.6
120.08900	0.2
121.00790	0.1
127.03905	0.1
127.05382	0.1
128.06192	1.9
128.07120	0.2
129.06985	11.7
130.07805	1.6
131.04901	0.5
131.08548	8.4
141.06976	0.8
142.07764	1.0
143.04909	0.2
143.08542	2.0
144.05656	0.4
144.09322	18.7
145.06468	1.0
145.10153	1.5
146.07204	0.2
147.08008	0.6
153.06950	0.3
154.07758	1.0
157.06480	1.3
157.10097	1.7
158.07207	0.5
158.10956	0.1
159.08084	2.0
159.11667	27.9
160.12001	0.6
167.08516	0.1
169.04849	0.1
169.10101	2.2
171.08038	0.7
172.08804	11.8
173.00804	0.3
173.09169	0.3
185.09590	0.4
186.10405	0.6
187.03844	1.0
187.11153	100.0
188.11504	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	187.1327
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03945	1.7
55.05505	12.8
57.03424	5.5
57.07056	6.4
65.03946	1.9
67.05499	65.0
69.03416	6.8
69.07055	8.8
71.00925	5.1
71.04988	76.8
79.05482	17.5
81.03407	5.0
81.07050	54.7
82.06563	1.8
83.04967	9.0
83.08604	2.3
84.04504	11.1
85.02902	6.8
85.06538	100.0
86.06891	1.7
87.04483	2.1
88.02188	5.5
91.05473	45.5
93.07047	15.2
95.04959	3.2
95.08602	5.7
97.06511	5.5
99.04451	1.9
103.05518	2.4
105.07026	46.7
107.08589	37.8
109.02898	2.3
109.06516	6.9
109.10146	61.4
113.05985	2.6
115.05454	6.6
117.07024	5.8
117.67814	1.8
119.08610	4.9
123.08073	3.5
123.11732	9.4
127.03909	2.9
129.07005	3.9
131.04907	7.9
131.08571	13.9
133.10118	80.0
141.06961	2.6
143.08540	2.3
144.05664	3.3
144.09335	6.3
145.10089	8.6
151.11177	38.5
154.58528	1.7
158.10841	2.2
159.06842	3.2
159.08031	7.2
159.11673	12.0
160.07550	2.0
161.43359	1.8
169.12213	11.6
172.05176	3.8
172.08806	4.2
173.00777	3.9
187.03880	21.7
187.07274	14.0
187.08788	5.5
187.11139	33.1
187.14822	6.6
188.04382	1.7
188.09239	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	187.1327
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.38826	0.6
53.03928	1.3
55.05502	8.8
55.98716	0.5
57.03422	2.5
57.07053	2.5
59.04980	1.9
65.03932	1.0
65.46723	0.5
67.05498	56.9
68.05809	1.2
69.03410	2.3
69.07060	6.5
71.01340	0.9
71.04984	6.3
71.54798	1.3
79.05479	5.1
81.03413	3.2
81.06567	1.0
81.07047	19.1
83.04970	2.7
83.08605	6.9
84.04494	3.8
85.02901	1.5
85.06521	3.5
87.35131	0.6
88.02206	3.6
91.05473	8.5
93.07039	4.5
95.04957	1.8
95.08608	1.4
97.02859	0.9
99.04426	1.5
103.05492	0.7
105.07023	11.3
107.08580	9.9
109.06519	2.0
109.10146	100.0
110.10480	2.4
113.05978	1.4
115.05424	3.8
116.06255	0.8
117.06997	2.3
119.08539	1.1
123.11710	2.5
127.11178	24.9
128.06194	1.4
128.07057	0.8
129.06990	2.0
131.04924	4.5
131.08562	6.3
133.09207	1.1
133.10118	11.1
141.06960	1.1
143.04918	1.5
143.08546	1.2
144.05696	4.1
144.09340	1.0
145.06537	1.3
145.10101	7.4
151.11188	3.9
154.07625	0.7
157.10071	1.1
159.04309	0.6
159.06963	0.9
159.08078	4.7
159.11668	3.9
159.40532	0.6
169.05074	0.7
169.10201	0.8
169.12238	1.0
172.05156	3.3
172.08818	1.2
173.00835	1.2
187.03893	9.7
187.05714	0.8
187.07510	12.6
187.11156	5.2
187.12686	1.0
187.14787	6.7
188.09187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.14741	0.3
56.20127	0.3
56.29885	0.3
56.56607	0.3
70.70672	0.7
71.10689	0.4
84.04495	1.7
85.02921	0.3
91.05460	3.6
103.05420	0.4
115.05436	4.4
116.06212	0.3
117.05736	1.3
117.06995	3.6
118.06525	61.8
119.06863	1.3
132.04358	0.4
132.08025	0.8
142.06506	5.9
143.07286	9.7
144.04434	0.8
144.08063	24.6
145.06494	0.7
145.08412	0.9
146.05984	100.0
146.25423	0.4
147.06332	2.0
151.75853	0.3
155.06038	0.5
160.07559	1.2
170.05995	8.3
171.04460	0.4
188.07040	20.8
189.07394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
51.52602	1.9
55.01848	7.5
55.05504	15.3
56.05026	12.1
56.96286	4.5
56.96559	84.8
57.03424	10.6
57.07070	2.2
57.96505	1.9
58.06580	3.6
59.04988	4.8
59.06096	4.8
60.04249	2.4
60.04520	37.5
61.02917	10.9
62.36694	1.8
65.03919	6.6
67.05215	1.9
67.05495	24.3
68.05006	2.7
68.99754	2.8
69.03414	14.5
69.07050	3.6
70.02923	6.3
70.06567	7.4
71.01342	3.1
71.02531	2.2
71.04975	8.0
71.56157	3.2
72.04519	12.9
72.08142	6.1
73.02908	13.3
74.02408	3.1
74.06087	3.6
74.97598	3.2
75.04459	2.0
79.05490	4.7
81.03411	11.4
81.07044	3.7
82.03735	2.1
82.06571	16.8
83.04965	36.4
83.06068	4.7
83.97652	1.8
84.04494	100.0
84.08142	12.3
84.96035	4.8
85.02894	32.0
86.06073	4.8
86.09702	4.8
87.04464	13.9
89.00767	2.3
89.03904	7.4
91.05461	3.2
93.03393	6.7
95.04928	6.4
95.08582	2.2
96.04449	3.8
96.08100	8.7
97.02882	12.8
98.02403	3.1
98.06048	4.9
98.97572	27.9
99.04432	4.0
100.03961	5.4
100.07613	17.4
100.99158	4.9
101.02352	8.1
101.06005	9.0
103.02331	2.9
105.06990	3.0
107.04901	3.8
109.02886	2.8
110.06042	18.7
110.97561	3.5
111.00797	2.0
111.04424	12.6
112.03891	2.1
112.07559	3.1
114.01532	2.3
114.05492	7.9
114.09145	2.1
115.03921	4.6
115.05450	2.1
116.00146	3.6
116.01281	4.0
116.03457	4.2
116.05757	4.0
116.07082	3.5
116.98619	28.4
119.00119	4.5
119.01836	17.4
121.02806	2.0
124.07581	7.5
124.11195	3.2
125.06007	2.5
126.05477	6.6
127.03885	2.5
127.50802	2.0
128.02281	7.5
128.03406	2.4
128.06189	3.7
128.07060	27.0
128.98555	5.7
129.01831	2.4
129.05463	3.5
130.08623	4.8
131.99664	2.7
132.95805	2.3
133.06497	3.3
134.01234	3.1
134.99635	32.8
135.04401	8.9
137.02809	3.5
139.00275	3.3
139.03940	4.6
142.04967	2.6
142.08611	33.6
142.12285	2.2
145.01651	5.2
145.02835	2.9
146.01216	4.5
146.08087	25.5
146.99599	6.8
147.03207	2.3
149.01234	3.8
150.00755	2.1
150.96884	3.0
152.07036	2.9
153.00659	5.3
157.01451	4.1
158.01231	3.4
158.99600	2.7
159.03265	2.7
160.07567	2.8
160.09633	5.2
161.01195	5.2
161.02902	3.8
162.99127	2.0
163.02681	3.1
163.03889	20.8
164.02235	4.8
165.00681	8.6
168.05417	3.1
169.01720	3.0
170.08125	16.2
171.11441	2.0
173.04852	2.7
175.02744	3.5
177.00681	4.6
179.02133	2.6
183.01752	6.3
185.01103	4.3
187.02763	6.2
188.04240	8.4
188.07278	3.3
188.09163	34.4
188.10699	3.1
188.12730	3.0
189.00667	3.9
189.12639	2.8
203.02292	4.0
207.01712	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	189.0392
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.03932	4.7
55.01867	62.2
55.05508	13.8
56.05836	1.7
56.96316	1.7
56.96560	18.2
57.03431	70.6
59.04995	9.7
61.02904	4.3
65.03928	5.8
67.05498	14.1
68.99777	6.0
69.03422	11.7
69.07047	5.9
70.06572	6.1
70.49583	5.1
70.98086	1.8
71.01346	30.1
71.04978	7.2
71.95254	1.6
72.08154	3.4
73.00930	1.5
73.02912	22.7
74.07184	1.5
75.04462	4.4
79.05482	63.5
80.04991	1.7
81.03389	7.3
81.07050	25.3
83.00867	2.1
83.01324	13.9
83.04967	18.4
84.04487	8.1
84.05270	2.1
84.08141	11.9
84.99215	1.9
85.02883	13.9
85.04829	1.6
85.08492	1.3
86.06081	1.8
87.00786	2.0
87.04459	48.9
88.99174	1.9
89.02383	5.8
91.05466	4.6
93.03378	4.3
95.01325	12.1
95.04956	19.3
97.02887	4.3
97.06528	17.3
98.97556	9.6
99.04465	2.3
100.03967	5.6
101.02369	100.0
103.03957	7.9
105.00138	4.2
105.07021	3.1
107.04954	15.7
109.02886	2.8
109.06493	4.9
110.01284	1.8
111.00219	1.5
111.00812	13.1
111.02846	1.7
111.04433	11.9
111.06344	1.5
113.02352	6.1
115.03915	87.9
116.98604	6.0
117.01872	1.7
119.01882	7.9
119.08549	2.0
121.02837	3.6
123.01162	11.2
123.04404	4.0
125.05986	14.7
126.05485	1.6
126.09134	3.3
127.03851	3.6
128.06235	1.8
129.01836	29.5
129.02759	3.0
129.05408	1.6
129.07372	2.3
130.04982	5.8
130.08650	2.6
131.03345	3.6
133.10106	2.2
134.99680	2.9
135.03009	1.7
135.04353	2.7
136.44962	1.7
137.02878	2.5
139.00256	6.5
139.03880	4.4
141.02147	3.6
141.05446	2.5
143.03416	8.8
143.08934	2.6
146.99654	1.7
147.08392	2.9
153.05443	13.2
157.01306	71.6
158.01735	1.8
159.02887	3.0
161.05983	2.8
161.09657	2.3
170.99585	1.6
171.02902	1.9
171.06491	8.1
171.11844	3.1
175.02411	6.8
185.01225	2.7
189.05444	2.4
189.07578	4.7
189.09161	3.2
189.12912	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	189.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.9
55.01621	1.9
55.01868	27.3
55.05506	19.5
56.96564	10.1
57.03430	29.9
59.04994	2.8
61.02907	2.2
65.03931	8.1
67.05495	18.0
69.03429	12.6
69.07064	7.4
70.06577	3.3
71.01347	15.6
71.04982	3.4
71.07994	3.0
72.08136	1.8
73.02913	12.2
77.03905	1.3
79.05486	100.0
80.05017	5.4
80.05791	2.0
81.03414	8.8
81.07048	47.2
82.06560	2.2
83.01328	5.8
83.04976	27.2
84.04497	3.0
84.08159	6.3
84.96023	1.2
85.02892	8.4
85.04784	1.2
87.04459	20.0
89.02388	3.4
91.05453	3.4
92.05000	2.3
93.03412	6.4
95.01307	4.7
95.04960	33.7
96.01529	1.3
96.05260	2.0
97.02873	3.3
97.06523	29.2
98.06062	2.4
98.97585	6.6
99.04462	2.9
100.03967	2.2
101.02371	42.4
102.02409	1.2
103.03918	3.3
105.00143	4.3
105.03351	2.0
105.06994	1.5
107.04285	1.9
107.04943	22.8
108.04498	5.3
108.08111	1.6
109.02866	3.9
109.06512	6.3
111.00806	5.3
111.03688	2.1
111.04427	28.3
112.03909	1.8
112.07603	1.2
113.02341	4.1
115.03157	2.2
115.03919	34.5
116.07067	1.9
116.98598	5.0
117.02029	1.4
119.01888	5.2
119.51945	1.3
121.02837	5.3
123.01155	11.5
123.04411	7.6
124.05218	1.1
125.05972	26.1
126.05495	3.7
126.09183	1.3
127.03897	3.0
128.98550	1.4
129.01836	12.5
129.05467	4.2
130.08612	2.3
133.10110	1.6
134.99620	2.0
135.04410	5.3
135.10031	1.2
136.03873	1.2
136.07555	1.3
139.00221	1.4
139.03871	14.3
141.02196	5.9
141.05457	5.4
143.03355	2.1
146.99557	1.8
153.05441	22.7
154.04979	3.8
156.09419	1.4
157.01299	33.6
157.02524	2.2
157.04959	1.9
159.03027	1.7
171.06506	14.2
171.12003	3.9
172.09613	1.6
174.99149	1.2
175.02409	3.3
185.01244	3.3
189.00587	1.6
189.02409	1.4
189.03899	1.5
189.07625	9.1
189.12958	4.1
189.16127	1.7
190.07057	4.5
190.10707	6.6
203.02347	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	189.0756
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
53.03923	5.9
55.01621	1.9
55.01868	27.3
55.05506	19.5
56.96564	10.1
57.03430	29.9
59.04994	2.8
61.02907	2.2
65.03931	8.1
67.05495	18.0
69.03429	12.6
69.07064	7.4
70.06577	3.3
71.01347	15.6
71.04982	3.4
71.07994	3.0
72.08136	1.8
73.02913	12.2
77.03905	1.3
79.05486	100.0
80.05017	5.4
80.05791	2.0
81.03414	8.8
81.07048	47.2
82.06560	2.2
83.01328	5.8
83.04976	27.2
84.04497	3.0
84.08159	6.3
84.96023	1.2
85.02892	8.4
85.04784	1.2
87.04459	20.0
89.02388	3.4
91.05453	3.4
92.05000	2.3
93.03412	6.4
95.01307	4.7
95.04960	33.7
96.01529	1.3
96.05260	2.0
97.02873	3.3
97.06523	29.2
98.06062	2.4
98.97585	6.6
99.04462	2.9
100.03967	2.2
101.02371	42.4
102.02409	1.2
103.03918	3.3
105.00143	4.3
105.03351	2.0
105.06994	1.5
107.04285	1.9
107.04943	22.8
108.04498	5.3
108.08111	1.6
109.02866	3.9
109.06512	6.3
111.00806	5.3
111.03688	2.1
111.04427	28.3
112.03909	1.8
112.07603	1.2
113.02341	4.1
115.03157	2.2
115.03919	34.5
116.07067	1.9
116.98598	5.0
117.02029	1.4
119.01888	5.2
119.51945	1.3
121.02837	5.3
123.01155	11.5
123.04411	7.6
124.05218	1.1
125.05972	26.1
126.05495	3.7
126.09183	1.3
127.03897	3.0
128.98550	1.4
129.01836	12.5
129.05467	4.2
130.08612	2.3
133.10110	1.6
134.99620	2.0
135.04410	5.3
135.10031	1.2
136.03873	1.2
136.07555	1.3
139.00221	1.4
139.03871	14.3
141.02196	5.9
141.05457	5.4
143.03355	2.1
146.99557	1.8
153.05441	22.7
154.04979	3.8
156.09419	1.4
157.01299	33.6
157.02524	2.2
157.04959	1.9
159.03027	1.7
171.06506	14.2
171.12003	3.9
172.09613	1.6
174.99149	1.2
175.02409	3.3
185.01244	3.3
189.00587	1.6
189.02409	1.4
189.03899	1.5
189.07625	9.1
189.12958	4.1
189.16127	1.7
190.07057	4.5
190.10707	6.6
203.02347	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03955	1.2
55.01870	1.4
55.05512	2.3
66.69486	0.6
66.79325	0.7
67.05493	1.9
69.03413	3.2
69.07064	1.3
69.58189	3.6
69.58604	0.9
70.69279	0.6
78.04716	0.6
79.05488	3.5
81.03429	0.7
81.07056	1.9
83.04993	1.0
91.05477	25.5
93.07045	3.0
95.04959	2.1
95.08631	1.0
98.20771	1.1
103.05443	4.2
105.03420	0.7
105.07024	23.2
107.04951	5.8
107.08595	1.3
109.06512	1.4
109.10125	0.7
115.05463	5.2
116.06245	3.0
117.07020	5.7
118.04169	2.2
118.07796	1.0
119.04923	6.2
119.08570	12.7
120.08832	0.5
121.06497	11.8
128.06215	16.3
128.07114	1.3
129.07004	27.9
130.07822	2.9
131.04912	16.6
131.08566	11.8
132.05699	1.6
133.02844	1.3
133.06467	6.0
133.10114	10.4
134.03644	0.6
135.08060	1.2
141.07001	1.1
143.04921	2.4
143.08534	6.8
144.05705	3.0
145.06453	7.6
145.10114	3.5
146.03650	1.6
146.07257	23.2
147.04346	1.0
147.08041	9.6
147.11687	4.5
148.05176	13.0
149.09572	2.1
155.06026	2.3
156.09341	5.8
157.06480	7.6
158.07224	1.1
159.04434	2.5
159.08029	6.9
159.09232	0.9
159.11682	1.3
160.08827	2.6
161.05972	80.9
161.09601	89.8
161.13187	5.7
162.06250	1.3
162.09953	2.3
171.08054	3.6
171.11679	6.3
173.05930	1.2
174.06761	14.4
174.10374	6.9
175.07100	0.6
187.07443	0.6
188.07602	0.7
189.05597	4.3
189.09091	100.0
189.12683	22.1
189.16348	1.4
190.09398	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	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03921	3.1
55.01865	7.4
55.05487	3.8
62.20940	1.0
65.03918	2.4
67.05495	6.0
69.03421	14.6
69.07028	2.5
71.45541	2.4
79.05482	10.8
81.03387	1.8
81.07068	6.0
83.04951	1.2
91.05473	39.1
93.07021	7.5
95.04942	7.2
95.08590	5.6
102.69216	1.0
103.05448	4.7
105.03384	1.2
105.07018	100.0
106.07326	1.7
107.04924	11.2
107.08565	4.0
109.10149	1.3
111.06574	1.1
115.05428	9.8
116.06242	1.6
117.07004	11.8
119.04080	1.7
119.04931	26.2
119.08562	23.8
121.06489	11.2
128.06210	54.6
129.06998	17.5
130.07780	10.3
131.04918	3.7
131.08559	8.6
132.05713	3.2
133.06477	14.8
133.10112	54.7
137.70248	1.0
141.06950	3.3
143.08542	74.9
144.09349	12.7
145.06467	8.4
145.10112	22.8
146.07236	13.9
147.04399	3.5
147.08044	10.0
147.11684	8.3
152.06175	1.5
153.06982	3.3
155.06036	2.5
156.09351	2.8
156.16087	1.0
157.06525	1.7
159.08038	4.0
160.08833	1.5
161.06017	6.1
161.09602	98.7
161.13235	4.0
162.09962	2.8
171.08023	21.6
171.11659	4.0
174.06749	30.6
174.10353	3.5
189.05423	3.3
189.09088	88.7
189.12662	11.6
189.16353	12.0
190.09486	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	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.52604	0.6
53.03939	0.9
55.05496	2.0
65.03942	0.7
67.05483	1.3
69.03405	2.9
70.00676	2.1
77.96931	0.6
79.05469	2.4
81.07050	1.6
91.05469	21.5
93.07027	1.8
93.57917	0.7
95.04940	1.4
95.08593	1.8
103.05412	3.1
105.03362	1.7
105.07018	22.0
106.18442	0.6
107.04931	3.4
107.08549	1.1
113.37275	0.7
115.05460	3.7
116.06210	2.9
117.07017	2.9
118.04181	1.5
118.07755	0.9
119.04929	9.2
119.08566	6.0
121.06499	7.4
128.06206	20.1
129.06987	34.8
130.07811	3.0
131.03990	1.1
131.04915	12.4
131.08545	8.6
132.05666	1.4
133.02821	2.6
133.06467	4.4
133.10112	12.7
141.06987	1.1
143.08549	4.5
144.05656	2.5
145.06488	7.0
145.10144	1.8
146.03563	1.9
146.07257	19.1
147.04395	1.3
147.08029	3.1
147.11594	3.1
148.05165	9.2
149.09605	1.0
155.06004	1.7
156.05669	2.0
156.09319	1.3
157.06453	11.3
158.07198	2.6
159.04369	2.9
159.08005	3.3
160.08771	1.7
161.05960	54.4
161.09596	65.4
162.06299	1.4
162.09946	2.4
171.08002	2.4
171.11658	1.9
173.05928	1.2
174.06750	23.9
174.10355	0.7
189.05428	1.9
189.09081	100.0
189.12585	6.0
189.16335	3.9
190.09436	2.1
207.02803	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	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.1
55.01865	7.4
55.05487	3.8
62.20940	1.0
65.03918	2.4
67.05495	6.0
69.03421	14.6
69.07028	2.5
71.45541	2.4
79.05482	10.8
81.03387	1.8
81.07068	6.0
83.04951	1.2
91.05473	39.1
93.07021	7.5
95.04942	7.2
95.08590	5.6
102.69216	1.0
103.05448	4.7
105.03384	1.2
105.07018	100.0
106.07326	1.7
107.04924	11.2
107.08565	4.0
109.10149	1.3
111.06574	1.1
115.05428	9.8
116.06242	1.6
117.07004	11.8
119.04080	1.7
119.04931	26.2
119.08562	23.8
121.06489	11.2
128.06210	54.6
129.06998	17.5
130.07780	10.3
131.04918	3.7
131.08559	8.6
132.05713	3.2
133.06477	14.8
133.10112	54.7
137.70248	1.0
141.06950	3.3
143.08542	74.9
144.09349	12.7
145.06467	8.4
145.10112	22.8
146.07236	13.9
147.04399	3.5
147.08044	10.0
147.11684	8.3
152.06175	1.5
153.06982	3.3
155.06036	2.5
156.09351	2.8
156.16087	1.0
157.06525	1.7
159.08038	4.0
160.08833	1.5
161.06017	6.1
161.09602	98.7
161.13235	4.0
162.09962	2.8
171.08023	21.6
171.11659	4.0
174.06749	30.6
174.10353	3.5
189.05423	3.3
189.09088	88.7
189.12662	11.6
189.16353	12.0
190.09486	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
55.30581	1.0
56.60304	0.9
69.03411	5.6
69.63332	6.8
79.05465	1.2
91.05460	6.4
93.07025	1.0
95.04932	1.3
105.07017	13.6
107.08576	2.3
115.05437	1.3
117.06992	4.3
119.08578	18.1
121.10114	1.4
128.06198	5.4
129.06972	3.5
130.07751	3.6
131.08572	6.5
133.06430	1.8
133.10129	4.8
133.72177	0.9
141.06961	12.3
142.07736	1.0
143.08566	7.9
144.09277	3.3
145.06354	2.2
145.10110	17.6
146.10872	1.3
147.08044	6.7
147.11668	13.5
155.08508	4.7
156.09340	61.2
157.09634	1.6
159.08038	4.1
159.11678	14.5
160.08881	1.9
161.09650	1.6
171.11679	71.7
172.12093	1.1
174.10376	10.0
189.12729	100.0
190.13033	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94787	1.1
55.05490	2.0
67.05508	1.4
69.03406	5.3
69.92744	5.2
70.66219	1.1
79.05471	3.1
81.07024	1.2
85.79254	1.0
91.05459	8.3
93.07072	1.2
95.04961	1.6
103.05463	1.8
105.07015	17.0
107.08554	4.1
115.05447	2.1
116.06232	1.4
117.07008	6.3
119.07784	1.6
119.08573	21.8
121.10106	1.3
128.06201	4.3
129.06984	5.5
130.07809	5.7
131.08553	8.9
133.06491	1.5
133.10115	8.7
137.42911	1.2
141.06950	10.0
142.07721	1.3
143.08546	6.3
144.09302	1.7
145.06413	2.6
145.10109	15.4
147.08035	9.0
147.11671	15.6
155.08517	3.0
156.09323	61.2
157.09685	2.2
159.08017	9.4
159.11662	15.1
160.08841	1.2
161.09615	2.0
161.13243	4.4
171.11662	67.9
172.11978	2.8
174.06798	2.5
174.10382	14.7
189.09052	4.6
189.12720	100.0
190.13031	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05483	1.2
57.13893	0.8
61.44931	0.8
62.62756	0.9
65.02481	0.9
67.05471	1.0
69.03431	5.8
70.65733	3.1
79.05472	2.7
80.60329	0.8
81.07017	2.2
81.29878	0.9
91.05465	9.8
93.07023	1.0
95.04864	1.3
103.05451	1.6
105.06369	1.6
105.07023	16.5
107.04971	1.3
107.08576	3.0
109.06483	1.4
115.05452	2.8
117.06992	4.2
119.04960	2.5
119.08570	23.2
120.08981	1.0
121.10104	1.5
128.06200	8.3
129.06995	12.9
130.07780	4.6
131.04897	2.7
131.08583	6.7
133.06456	4.6
133.10098	7.9
141.06964	9.0
143.08551	8.9
144.09282	2.7
145.06435	3.9
145.10106	20.8
146.07213	1.9
147.08008	6.9
147.11668	17.0
155.08530	2.7
156.09329	58.4
157.06525	4.7
157.09695	1.7
158.07257	3.1
159.04349	1.5
159.08008	7.3
159.11682	12.4
160.08788	1.3
161.05951	6.9
161.09601	11.4
161.13225	3.5
171.11668	76.5
172.12003	2.5
173.09648	1.3
174.06767	13.7
174.10385	9.5
189.05443	1.9
189.09103	27.5
189.12720	100.0
189.16351	3.8
190.13057	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03934	1.5
55.01870	1.0
55.05497	8.6
56.96539	2.7
57.07051	3.0
65.03912	1.3
67.05492	8.3
68.68060	0.9
69.03415	1.6
69.07060	8.7
70.20219	2.1
75.81824	1.0
77.03220	0.9
79.05495	6.4
81.07045	40.4
83.08594	3.7
91.05460	12.4
93.07038	7.1
93.66441	0.9
95.07962	1.4
95.08591	26.5
105.07018	45.3
106.07353	1.1
107.08575	16.2
109.10141	8.0
115.05465	1.6
117.06976	3.2
119.08568	54.7
120.08849	0.9
121.10133	9.0
122.79144	0.9
128.06219	2.5
129.06996	1.1
130.07790	1.7
131.08554	14.1
132.09348	1.1
133.06453	2.6
133.10114	46.9
143.08554	3.9
145.10107	11.0
146.06735	2.8
146.10880	10.3
147.08037	6.5
147.11667	70.6
148.12019	1.4
149.02299	2.4
155.07228	2.9
156.09335	4.5
157.10066	1.1
159.08003	1.2
159.11699	6.5
160.12393	2.1
161.05934	1.8
161.09616	2.8
161.13228	6.2
166.58109	1.0
171.08017	1.2
171.11696	5.3
174.06723	1.5
174.10362	1.2
174.14020	3.8
189.05449	2.8
189.09090	7.9
189.12698	14.4
189.16357	100.0
190.04927	2.2
190.16666	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	189.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05502	8.8
56.96564	8.8
57.07045	1.8
65.03912	1.7
67.05499	7.3
69.03418	2.3
69.07059	11.1
71.43155	2.2
73.58519	1.1
79.05486	6.3
81.07047	23.4
83.08609	5.2
91.05465	16.8
93.07030	7.2
95.04951	1.5
95.08591	15.2
98.97572	1.2
103.05428	1.8
105.07015	69.2
106.07380	1.4
107.08579	13.9
109.10130	5.2
115.05428	2.3
117.07009	5.5
119.08566	58.3
121.10136	8.5
128.06163	3.8
129.06979	4.1
131.08560	12.5
133.10114	70.2
134.10915	2.2
141.76414	1.1
142.07765	1.7
143.08485	5.6
145.10100	11.4
146.06686	4.6
146.10912	5.8
147.07988	3.7
147.11665	57.4
149.02275	1.8
154.06412	2.4
155.07202	10.3
156.09309	5.7
157.57463	2.2
159.08069	1.5
159.11690	6.8
160.12418	1.9
161.05887	2.1
161.09630	4.2
161.13231	12.2
162.05444	1.2
164.07790	3.9
166.57950	3.0
171.07977	1.8
171.11644	6.8
173.13275	5.7
173.14677	1.0
174.06750	2.0
174.10374	2.6
174.13930	2.3
175.58525	1.6
189.05470	4.4
189.09068	8.3
189.12680	20.3
189.16353	100.0
190.04942	3.4
190.08636	1.7
190.16730	2.4
209.91418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78093	0.3
56.96307	0.3
56.96555	2.4
57.03397	0.3
57.07055	1.5
58.99850	1.1
59.14465	0.3
69.03426	0.6
70.97639	0.6
70.97975	0.4
71.04961	0.3
76.81313	0.3
77.00909	1.6
79.05486	0.4
81.03405	1.0
89.94726	0.3
91.05433	0.5
95.01913	0.7
98.97560	1.7
100.02453	1.5
101.00873	1.0
103.02431	1.4
103.98219	0.4
104.02501	0.8
105.00278	0.5
107.04922	0.4
114.06666	0.4
115.02389	1.8
116.98621	2.4
117.12209	0.3
118.00349	0.4
118.03503	1.6
119.01907	6.6
119.03587	0.4
120.02089	1.5
121.01595	1.0
121.03479	1.0
123.01256	0.6
127.00848	0.4
127.02360	0.5
127.50907	0.5
128.00835	0.4
128.02037	0.3
129.03957	1.3
131.00102	0.4
131.01855	0.7
133.03471	1.6
134.99667	2.2
137.02928	2.5
137.04529	0.3
138.03088	0.6
139.00841	0.5
139.02411	1.7
139.50847	0.6
141.02161	0.8
141.05081	0.4
142.03442	0.6
143.01859	0.4
145.03430	2.9
147.05060	1.4
147.99188	0.4
148.00998	0.4
148.05081	0.3
148.51463	0.7
149.01115	2.7
150.02484	0.6
151.03262	0.4
151.51625	0.5
153.00699	0.6
157.03444	7.2
158.03543	0.5
159.01430	0.7
159.05022	0.8
160.02266	0.6
160.52187	0.3
161.02960	0.9
163.02684	0.3
163.04462	0.8
166.00238	1.0
166.01793	0.3
167.01865	6.5
167.05516	0.4
168.03664	0.3
168.05061	0.9
175.04512	1.5
176.60184	0.7
177.00948	0.7
178.01140	0.5
179.10458	0.9
180.05013	0.3
185.02930	100.0
186.03127	5.2
187.03352	0.4
190.03600	1.1
203.03984	29.3
204.04117	1.2
208.04524	9.4
209.04634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	1.2
52.45102	1.1
53.03946	11.1
54.99867	1.1
55.01862	10.7
55.05503	31.8
56.05016	4.3
56.05833	1.6
56.47050	1.2
56.96560	36.1
57.03177	1.7
57.03432	21.5
58.03739	1.3
58.06580	2.8
60.04500	1.8
60.95810	1.1
61.02924	9.5
62.02439	5.5
65.03592	2.1
65.03935	42.8
67.04241	2.7
67.05498	73.2
68.05027	9.0
68.99773	1.4
69.03416	14.9
69.45720	10.7
70.02918	1.4
70.03733	1.3
70.06590	7.7
70.98163	1.3
71.01340	4.8
71.04961	4.1
71.95257	1.9
72.04494	2.1
72.08142	2.0
73.02545	1.4
73.02909	19.0
74.03249	1.9
77.00766	1.5
79.05481	13.4
80.04546	2.0
80.05013	39.4
80.05788	12.1
81.03411	26.4
81.05794	1.5
81.07044	9.9
82.02920	1.9
82.06572	14.1
82.07356	5.9
83.00766	1.5
83.01284	1.9
83.04972	72.6
84.04498	11.4
84.05299	3.3
84.08128	10.6
84.96021	3.2
85.02895	24.5
85.06519	5.1
86.03217	1.3
86.06056	1.8
87.04440	5.3
88.04794	1.5
88.07583	1.2
89.00763	1.3
90.03436	2.1
91.05463	5.0
92.04986	11.4
93.03394	43.1
93.05779	1.8
93.07043	1.8
94.06573	5.7
95.04958	63.8
96.01544	3.3
96.04484	6.1
96.05288	3.4
97.02880	15.4
98.06042	22.3
98.06705	2.0
98.97576	34.5
99.04459	8.1
100.03939	6.9
100.07603	2.3
100.99145	1.5
101.00808	3.5
101.01729	1.6
101.02350	4.4
102.02678	3.5
102.05475	1.3
103.02383	1.9
103.03917	2.0
104.01281	2.9
105.00146	34.5
105.03368	1.4
105.04444	2.1
106.06518	2.7
107.04929	4.0
108.01511	2.8
108.04472	39.1
108.05220	3.4
108.08112	13.6
109.02866	16.6
109.05311	5.7
109.06499	6.2
110.01266	11.9
110.06034	12.3
110.06769	1.9
110.97575	9.3
111.02033	1.6
111.04428	69.7
111.06764	1.8
112.01016	1.7
112.03941	8.5
112.04703	2.4
112.07581	5.6
113.02395	1.8
113.06000	2.7
113.08383	1.4
115.03917	2.6
116.01271	2.3
116.04231	3.9
116.98601	22.3
117.01999	3.4
117.87286	1.2
118.01065	1.3
118.06487	1.6
119.01801	16.6
120.04486	2.7
121.02853	40.5
122.01276	1.3
123.01180	81.8
123.04422	13.4
124.03928	2.6
124.05209	21.3
124.07571	1.7
125.01682	1.2
125.05956	1.4
126.02597	1.2
126.05502	29.0
126.06316	3.0
126.09137	14.2
127.03926	10.8
128.02309	10.3
128.98587	17.2
129.01808	1.5
130.05002	2.0
130.08603	1.7
131.00186	1.3
131.01797	4.4
134.05978	5.2
134.99641	9.1
135.03044	5.8
136.03909	9.7
136.07579	7.9
137.04691	4.5
137.05957	6.1
139.03885	100.0
140.02280	4.8
140.04208	2.1
140.98552	1.4
141.02219	61.3
143.00134	4.0
143.01776	2.2
144.06560	2.9
144.08107	1.2
144.10152	3.1
144.98044	2.9
146.02585	2.8
146.05975	6.7
146.99632	16.2
149.01123	3.2
149.36844	1.1
152.02287	2.8
154.04916	29.8
154.08578	12.7
155.02879	1.5
155.05937	2.5
155.07048	5.7
156.06804	1.7
157.01431	1.2
157.03609	2.5
157.04953	14.3
158.01585	4.5
158.99611	7.8
159.03267	7.0
161.01173	5.2
161.02879	2.6
162.05478	27.8
162.99101	2.4
164.03804	3.5
165.00703	4.7
167.00160	3.2
170.99698	6.5
172.05969	13.5
172.09671	14.5
173.01164	2.4
173.02911	1.6
173.06946	6.2
174.05505	5.7
175.04480	1.3
177.00682	7.3
182.99571	1.2
185.01198	20.0
185.02937	8.1
189.00705	10.8
190.05206	1.9
190.07068	23.8
190.10718	63.1
190.14366	6.0
190.98682	1.5
191.08125	5.3
193.00159	1.3
201.00650	6.2
203.02235	9.1
203.03984	2.7
208.99586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99067	0.5
55.05491	0.7
57.07066	23.3
59.99102	4.5
62.99062	0.5
67.05492	0.6
69.07044	0.9
70.34727	1.0
70.35146	1.6
71.85890	0.4
72.75391	0.5
78.00141	37.4
79.05479	1.0
81.07040	1.2
84.08136	1.0
86.09691	8.8
89.83963	0.5
91.05463	2.1
92.01669	1.3
93.07016	1.2
93.93533	0.5
95.08584	0.8
105.07009	1.7
107.08563	2.0
110.93060	0.5
116.05315	0.9
117.07041	0.7
118.06531	0.5
119.08566	0.5
120.04474	0.9
121.06517	0.5
128.98720	0.5
131.04869	0.9
131.08516	0.9
133.10135	1.1
134.06329	46.6
134.10448	0.8
135.08017	1.7
145.10069	1.3
146.05968	1.3
146.10367	0.6
147.04408	0.6
148.07806	3.2
149.02292	2.2
149.09587	0.7
161.05946	0.5
162.05461	3.8
163.07515	0.6
163.11156	0.7
169.03458	0.5
173.09589	0.7
173.13197	1.0
174.05345	0.5
175.07458	0.6
190.04980	1.8
190.08812	2.0
190.12572	100.0
191.03360	0.6
191.07039	1.5
191.10628	4.1
191.12875	1.5
191.14417	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0812
Annotation	10476-41-2
Peak:m/z	Relative Intensity
52.16073	0.3
56.96553	0.4
59.30988	0.3
60.09756	0.3
65.03911	0.4
66.63503	0.3
70.83252	0.7
79.05499	0.6
91.05472	1.9
98.97532	0.3
106.06546	3.3
107.04906	0.3
116.04970	0.4
117.05767	0.7
118.06525	5.6
128.04927	0.3
132.04434	0.4
134.05998	17.9
144.04369	0.3
145.06558	0.3
145.07529	1.4
146.05991	22.8
150.40462	0.3
155.06023	2.4
156.06776	1.2
160.03952	0.5
160.25253	0.3
162.05481	100.0
163.06198	2.7
163.08595	0.8
172.06265	2.2
173.07088	17.8
174.05489	21.3
174.90977	0.3
175.06160	1.1
191.08133	12.5
192.08813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.21093	0.9
53.03931	4.8
53.26885	1.0
55.01866	5.6
55.05506	10.6
57.03423	1.2
57.07054	2.9
59.04988	2.6
65.03922	2.5
67.05501	11.5
67.28125	0.9
67.76464	0.9
69.03422	12.9
69.07056	6.6
69.59605	8.3
71.04990	12.4
77.03889	1.4
79.05487	26.8
81.03396	1.3
81.07049	24.0
83.04964	9.4
83.08607	1.7
84.61742	1.0
91.05466	36.8
92.57588	0.9
93.07032	56.3
95.04953	18.2
95.08594	8.6
96.05727	1.9
97.06519	4.5
103.05463	16.2
105.04504	1.4
105.07017	88.9
106.06493	1.2
106.07279	1.1
107.04948	10.1
107.08579	47.2
108.08146	1.1
109.06502	12.9
109.10152	6.1
111.04427	1.9
112.43990	1.1
115.05466	6.3
116.06213	3.1
117.07011	28.8
118.04108	3.0
118.06535	1.8
119.04911	2.1
119.08566	23.5
121.06493	47.7
121.09293	1.9
121.10127	28.5
123.08046	4.6
123.11679	2.8
127.07571	1.6
128.06197	2.1
129.06998	7.3
130.04124	3.0
130.07762	17.1
131.04903	11.0
131.08556	52.8
133.02831	1.7
133.06465	3.4
133.10127	13.3
134.05998	2.3
135.04468	4.8
135.08040	32.9
135.11661	18.1
143.08560	8.5
144.05678	1.3
144.09317	1.4
145.06461	5.0
145.10104	100.0
146.05980	4.9
146.10423	2.4
147.04439	1.8
147.08011	3.7
147.11703	10.6
148.05170	5.3
148.08745	1.3
149.05977	11.0
149.09595	16.2
149.13220	5.5
155.08481	6.1
158.07286	7.9
158.10898	4.7
159.08044	4.2
160.05066	1.3
161.05925	1.9
161.09566	2.8
161.13188	6.0
162.05476	14.1
163.03893	2.2
163.07523	9.0
163.11160	67.5
163.14847	2.5
164.11603	1.5
173.07153	2.5
173.09605	40.7
173.13254	17.9
174.05531	2.2
176.04677	3.8
176.08311	4.3
176.11787	1.3
191.03371	5.4
191.06958	20.1
191.10655	99.3
191.14279	41.1
191.17920	4.6
192.02940	1.1
192.06465	1.7
192.10988	2.8
192.17360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.33368	0.5
53.03929	1.1
55.01859	0.9
55.05504	3.3
57.03426	0.5
57.07055	1.4
60.67276	0.5
62.58017	0.4
65.03943	0.7
67.05508	3.2
69.03427	5.3
69.07067	3.7
71.04989	0.9
76.14017	0.4
77.03903	0.6
79.05481	7.2
81.07044	6.6
83.01353	2.5
83.04948	3.1
83.08601	1.4
85.06514	0.7
91.05475	8.8
93.07038	9.7
95.04951	2.8
95.08598	5.8
97.06490	1.4
103.05470	3.6
105.07019	14.4
107.04937	2.6
107.08582	14.3
109.06492	2.1
109.10145	4.3
111.04436	8.0
111.08012	0.9
115.05428	2.0
116.06225	1.0
117.06997	5.2
118.04143	1.3
118.06504	0.6
118.07804	0.5
119.04922	1.1
119.07861	0.6
119.08566	5.7
121.06497	6.3
121.10135	8.2
122.07249	1.4
123.08064	4.3
123.11695	1.3
128.06184	1.0
129.06982	1.3
130.07806	3.0
131.04910	2.7
131.08572	7.5
133.02867	0.8
133.06503	0.8
133.10121	13.8
134.05992	1.8
135.04483	1.0
135.08040	31.2
135.11653	6.0
137.05943	0.7
137.09564	1.9
143.08545	1.8
145.06467	1.9
145.09009	1.0
145.10104	16.0
146.05969	2.4
147.04401	0.9
147.08017	1.7
147.11670	3.6
148.05167	1.6
148.08821	0.8
149.05923	1.2
149.09595	3.4
149.13229	4.2
151.07518	1.5
155.08546	2.0
158.07262	4.4
158.10960	2.3
159.08055	1.8
160.05092	0.8
161.05971	5.9
161.09625	1.1
162.05475	7.1
162.06685	1.1
163.03882	0.9
163.06325	0.6
163.07520	3.8
163.11160	19.2
163.14790	1.8
173.05858	0.7
173.07112	1.5
173.09601	15.1
173.13242	8.6
174.05498	2.0
175.07541	1.4
176.04732	1.0
176.06792	1.0
176.08318	21.4
191.03351	3.0
191.07010	7.0
191.10648	100.0
191.14261	21.5
191.17894	2.8
192.06454	0.8
192.11137	2.6
195.00272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	0.6
55.01850	0.9
55.05489	1.7
57.03417	0.7
57.07059	0.8
61.49355	0.5
67.05479	1.7
69.03422	8.6
69.07062	3.7
70.69749	1.0
70.70126	1.0
71.04954	0.7
79.05477	2.7
81.07041	2.6
83.04965	7.6
83.08568	0.8
91.05483	4.1
93.07049	4.6
95.04936	1.4
95.08578	2.3
97.06502	1.7
103.05460	0.9
103.53708	0.5
105.07022	7.0
107.04909	1.0
107.08582	15.5
109.06486	1.8
109.10165	1.6
117.06982	2.0
119.08564	5.5
121.06500	3.0
121.10126	7.5
123.08020	1.6
129.06993	1.2
131.04962	0.8
131.08563	8.6
133.10101	7.8
135.08060	8.1
135.11626	1.4
143.08517	2.4
145.10106	4.3
146.98099	0.5
147.08075	0.6
147.11665	4.7
148.08809	0.8
149.09608	2.8
149.13248	4.0
158.10887	4.9
160.05096	0.9
161.09595	2.8
162.05583	1.3
163.07547	0.6
163.14818	1.5
163.89868	0.6
171.11623	0.6
173.11742	0.7
173.13235	11.3
176.11974	1.2
184.23921	0.5
190.90559	0.5
191.03482	0.7
191.07196	1.0
191.14288	100.0
192.14667	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01857	1.4
55.05495	6.5
57.03411	2.1
57.07054	2.4
58.85157	0.7
59.04981	1.5
67.05492	7.6
69.03413	8.4
69.07063	7.4
69.15131	0.8
69.67100	5.2
71.04990	4.2
79.05052	1.0
79.05479	12.7
81.07043	11.5
83.04977	5.9
83.08594	3.2
85.06531	3.0
86.99035	0.7
91.05466	25.4
92.24841	0.8
93.06464	1.4
93.07027	24.1
93.75246	0.8
95.04950	7.7
95.08599	9.1
97.06522	6.6
103.05447	5.2
104.06295	0.9
105.07015	50.0
107.04931	4.1
107.08576	35.2
109.06508	7.9
109.10143	6.4
111.08057	1.7
115.05424	3.4
116.06210	1.9
117.06990	13.9
118.06544	1.2
118.07822	0.8
119.07770	1.5
119.08560	16.9
121.06489	14.6
121.10130	18.3
123.08055	5.0
123.11661	1.4
129.06978	5.7
130.07738	3.4
131.04878	2.4
131.08546	40.9
132.08818	1.1
133.10107	100.0
134.10428	1.5
135.04382	1.6
135.08035	23.6
135.11662	5.1
136.70972	0.8
137.09589	2.4
143.08557	7.3
144.09291	2.5
145.06448	2.6
145.10098	34.4
146.05968	1.5
146.10432	0.9
147.07999	2.7
147.11668	11.5
148.05183	1.2
148.08791	1.8
149.05940	3.6
149.09604	7.7
149.13229	11.2
150.10384	1.0
154.59274	0.7
155.08498	1.1
158.07253	0.9
158.09680	0.9
158.10898	11.6
159.08034	3.2
160.05048	1.2
161.09657	1.6
162.05478	5.4
163.07510	2.7
163.11171	11.6
163.14789	3.0
173.05876	1.3
173.09633	7.9
173.13242	36.4
174.05444	1.8
174.13596	1.5
176.04652	1.4
176.12019	0.9
191.03384	1.8
191.06940	6.8
191.10667	21.8
191.14273	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	1.6
55.01871	0.8
55.05498	4.1
57.07069	2.2
59.05008	1.2
65.03928	1.3
67.05499	5.2
67.36870	0.8
68.99731	0.7
69.03410	2.6
69.07056	11.9
70.61924	2.5
71.04962	2.3
72.91820	0.8
79.05480	16.2
81.07043	9.1
83.04967	2.7
83.08600	5.4
85.06509	2.1
91.05462	21.5
93.07027	19.2
95.04931	4.5
95.08115	0.9
95.08598	9.7
97.06519	5.4
103.05434	1.8
105.07018	32.5
106.06527	1.0
107.04919	1.3
107.08575	100.0
108.08900	1.6
109.06503	7.7
109.10145	4.9
111.08041	1.8
115.05428	1.7
116.06241	1.9
117.06995	4.7
119.06080	0.9
119.08562	34.0
121.06463	2.9
121.10125	36.1
121.52414	0.9
123.08031	5.1
123.11667	1.2
129.06982	4.0
130.07762	1.8
131.04929	0.9
131.08548	27.5
133.10107	55.4
134.10379	0.8
135.08047	10.5
135.11668	15.4
143.08548	7.8
144.09319	3.8
145.06413	2.7
145.10106	19.8
146.05966	2.1
147.08031	1.0
147.11647	12.0
148.08698	0.9
148.12445	1.1
149.05939	0.8
149.09593	5.4
149.13234	14.3
158.10878	14.3
162.05498	6.1
163.11221	1.9
163.14801	16.2
171.11687	1.6
173.13228	53.8
174.05452	2.0
174.13660	1.5
177.40193	0.8
191.03351	1.5
191.06871	1.5
191.14275	89.5
192.14616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	1.5
55.05510	3.8
55.22397	0.6
55.32152	0.5
57.03426	1.3
57.07052	1.3
59.16271	0.5
67.05504	4.6
69.03421	14.2
69.07063	5.9
69.67673	0.5
69.70776	3.3
71.04990	1.3
79.05480	10.4
81.03418	0.9
81.07037	10.3
83.04983	4.3
83.08595	1.3
85.06529	0.7
91.05470	7.6
93.07033	6.9
95.04939	1.6
95.08577	3.4
98.21434	1.2
103.05455	0.8
105.07019	13.2
107.04941	5.2
107.08578	24.9
109.06499	2.3
109.10139	9.9
115.05425	1.5
117.07000	1.5
119.08582	5.6
121.06519	3.4
121.10134	16.4
122.07281	2.3
123.08055	2.9
131.08553	8.4
132.09067	0.6
133.10110	100.0
134.10466	2.0
135.08025	5.1
135.11685	2.9
137.09592	12.3
143.08549	3.1
144.09239	1.1
145.10133	4.2
147.11671	3.5
149.09581	2.0
149.13237	14.5
158.10861	6.1
161.09572	0.6
163.14771	2.8
173.13246	19.1
174.13567	0.7
191.14279	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	2.8
55.05507	7.6
57.03409	1.7
57.07063	1.7
60.65818	1.0
65.03929	1.8
67.05164	2.3
67.05497	30.7
69.03428	8.9
69.07058	13.6
70.19349	5.7
71.04986	28.7
71.16923	1.2
77.13658	1.2
79.05482	19.0
81.03384	1.2
81.07053	18.2
83.04948	4.7
83.08594	4.0
85.06557	9.9
91.04959	2.3
91.05474	27.4
93.07034	21.7
95.04957	14.2
95.08038	1.8
95.08594	16.7
97.06513	10.2
99.85509	1.2
103.05479	5.6
105.07024	49.8
107.04916	2.7
107.08586	62.7
108.08906	1.7
109.06506	24.7
109.10145	82.0
111.08053	3.0
115.05435	2.3
116.06207	2.7
117.07008	9.4
118.06532	1.9
119.08570	20.6
121.06494	10.3
121.10130	62.1
122.10430	1.6
122.12527	1.1
123.08064	21.1
123.11682	2.5
129.06989	3.9
130.07744	3.2
131.04965	1.2
131.08554	60.8
132.08832	1.9
133.06508	1.7
133.10117	52.3
135.04425	2.1
135.08040	68.4
135.11633	5.8
143.08501	5.9
144.09367	2.7
145.10114	22.1
146.05983	3.3
147.08015	2.4
147.11679	18.1
148.08810	2.3
149.09598	14.6
149.13246	15.9
150.10368	3.5
158.10895	12.6
161.06036	1.4
161.09628	3.8
162.05487	8.2
163.07494	2.6
163.11165	5.1
163.14795	4.1
171.11678	2.0
173.07216	2.5
173.09669	2.7
173.13249	52.7
174.05496	3.0
174.13525	1.8
176.08369	2.2
176.11942	2.0
191.03349	2.1
191.06871	6.4
191.10655	15.0
191.14288	100.0
191.17949	3.9
192.14618	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	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03933	4.4
55.01862	2.9
55.05502	24.8
56.59921	1.9
56.96548	5.6
57.07053	9.1
67.05495	27.1
67.40909	2.0
69.03413	8.6
69.07059	39.7
69.19793	14.9
69.20229	9.9
71.04987	3.2
79.05482	23.4
81.07040	32.2
83.04945	5.6
83.08603	24.2
90.30379	2.0
91.05451	19.1
93.06470	3.6
93.07033	67.3
95.04951	3.7
95.08597	78.8
97.10146	15.0
99.29386	2.1
102.41052	2.5
103.05454	3.4
105.07012	27.4
107.04916	5.6
107.08580	87.1
109.06470	6.1
109.10141	63.8
114.99842	2.3
117.07052	10.6
117.16030	2.2
117.92876	2.1
118.06577	2.6
119.08566	11.8
121.06496	5.3
121.10126	100.0
122.10460	3.2
123.08046	6.3
123.11666	9.8
131.08583	14.7
133.10132	15.9
134.05963	6.6
135.08043	22.4
135.11668	84.4
143.08575	2.4
145.06491	4.3
145.10098	18.9
146.05997	10.8
147.07549	2.7
147.11667	4.3
149.09584	8.9
149.13232	20.9
156.07990	4.5
158.10883	3.2
160.05049	2.9
162.05482	32.3
163.11113	6.1
163.14790	3.7
167.58545	2.3
169.03459	25.7
173.07147	4.8
173.09599	7.0
173.13281	16.6
174.05473	6.7
191.03342	7.3
191.06721	11.0
191.08453	4.3
191.10623	14.2
191.14290	97.2
191.17909	75.8
192.06537	7.3
192.08391	3.3
192.10126	2.7
192.14600	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	192.0765
Annotation	Carbendazim
Peak:m/z	Relative Intensity
65.03938	0.2
67.30254	0.1
67.48569	0.1
69.00560	0.1
69.00906	0.2
69.03399	0.2
69.92174	0.6
79.05477	0.1
85.02879	0.1
91.05475	0.2
92.04980	0.3
95.04945	0.2
98.20850	0.2
100.15179	0.1
103.05427	0.1
105.04478	0.4
105.06994	0.3
108.08100	0.1
110.07117	0.1
117.21933	0.1
119.04865	0.1
119.08533	0.1
121.06459	0.1
128.04927	0.2
132.04553	0.2
132.05560	3.2
133.02817	0.2
133.06421	0.6
135.05540	0.4
136.97920	0.1
137.05942	0.1
146.06001	2.9
147.06552	0.1
148.07576	0.1
149.05952	0.1
150.96918	0.1
160.05042	100.0
161.05399	1.5
163.05984	0.1
169.32222	0.1
174.05449	0.2
185.18396	0.1
192.07669	17.8
192.17477	0.4
193.04971	0.4
193.07967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.03949	0.5
55.01854	0.3
55.05507	0.4
67.05505	1.0
69.03420	0.3
69.07072	0.4
69.26762	3.0
76.90790	0.3
77.03929	0.5
79.05473	1.3
81.03402	2.4
81.07026	1.4
83.08661	0.3
89.03909	0.9
91.05481	1.9
93.07053	0.7
94.04176	0.9
95.04972	1.7
95.08601	0.9
97.06499	0.3
105.03371	1.9
105.07014	2.2
107.04926	0.6
107.08562	0.6
107.75579	0.2
109.06499	0.8
109.10154	0.6
111.04463	0.3
111.08099	0.2
115.05463	0.4
117.03373	0.6
119.08576	1.1
121.10140	0.3
122.03635	5.9
123.04449	0.4
123.08063	0.4
125.05988	0.3
129.07004	0.5
131.08513	0.4
133.02837	41.8
133.06445	0.7
133.10123	1.2
134.03166	0.6
135.11690	0.5
137.05962	12.0
147.04472	0.4
147.08022	0.6
147.11662	0.9
149.05974	3.3
150.03113	4.5
151.07526	0.6
157.10159	0.3
161.02310	0.5
161.06020	0.4
165.05453	4.5
175.03867	0.6
175.14816	0.6
178.02589	25.9
179.02907	0.3
192.40852	0.3
193.04941	100.0
193.12100	2.2
193.15822	1.0
194.05284	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	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.03926	0.2
55.01858	0.6
55.05502	1.9
57.07064	0.2
65.03935	0.2
67.01849	2.7
67.05494	2.7
68.99765	1.7
69.03414	0.5
69.07056	0.5
69.74699	1.2
71.04972	0.2
74.80018	0.2
77.03856	0.3
79.05484	1.2
81.03394	0.8
81.07056	1.8
83.04967	1.1
83.08613	0.2
85.02898	1.8
85.06521	0.8
91.01824	0.3
91.05457	2.0
91.30458	0.2
93.07024	1.6
95.04966	1.2
95.08598	2.2
97.06507	0.4
99.08082	3.1
103.05424	0.4
103.17262	0.2
105.07016	4.1
106.58701	0.2
107.04937	0.5
107.08578	1.7
109.02837	0.6
109.06489	0.9
109.10139	3.7
111.08038	0.4
115.05438	0.4
117.06992	0.3
119.04929	0.9
119.08571	2.5
121.10123	0.6
123.04419	0.7
123.08042	0.6
123.11654	0.5
124.05129	0.3
125.05975	1.5
127.03891	0.8
129.06981	0.3
131.08565	0.4
133.02829	0.9
133.06461	2.2
133.10121	3.0
134.67574	0.2
135.07976	0.6
135.11658	1.3
137.05974	0.9
137.09590	2.4
142.07710	0.3
146.03607	0.3
146.06007	0.3
147.04401	3.2
147.06277	0.6
147.08055	0.4
147.11688	1.1
151.03865	1.5
151.11180	0.5
151.14853	0.3
153.01805	2.2
157.10170	0.2
161.05858	1.5
165.05449	0.9
165.06955	0.6
169.04919	1.3
175.03876	1.0
175.07527	0.3
175.11194	0.8
175.14790	1.3
178.02585	0.5
193.04938	100.0
193.11981	1.0
193.15877	3.0
194.05283	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	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02372	0.9
51.48413	0.5
53.03938	1.9
55.01864	4.6
55.05498	3.4
56.05036	0.8
56.74487	0.6
57.03419	0.6
57.07076	1.3
65.01257	0.5
65.03918	1.4
66.04740	0.8
67.05497	5.5
69.03423	2.2
69.07053	2.7
69.83949	2.2
69.84351	1.4
70.06548	0.7
70.27979	0.6
71.04988	1.5
75.43015	0.6
77.03906	1.1
79.05483	16.5
81.03422	1.3
81.07046	7.8
83.04973	2.6
83.08622	0.9
85.06538	2.7
89.03915	1.6
90.04702	0.6
91.05472	15.7
91.06007	1.1
93.07038	6.4
94.06546	0.8
95.04962	6.9
95.08592	6.2
97.02943	0.7
97.06525	1.4
99.08080	4.4
100.03938	0.6
103.05453	13.2
104.06232	1.8
105.07020	100.0
106.07337	2.8
107.04954	2.7
107.08593	5.8
109.06502	3.7
109.07629	0.9
109.10153	7.3
109.28915	0.6
111.08057	1.3
115.05444	21.0
115.06264	1.0
118.04154	11.2
119.04964	1.4
119.08563	14.3
120.05668	0.8
121.02879	0.9
121.06488	2.3
121.10110	3.3
122.03625	1.5
122.07241	1.4
123.04488	0.7
123.08080	3.1
123.11691	1.2
125.06042	0.8
129.06989	1.8
131.04913	4.9
131.08543	1.7
132.05679	2.1
133.02853	4.0
133.06479	81.6
133.10114	12.5
134.06825	3.0
135.04381	1.4
135.08066	3.0
135.11670	4.7
137.05951	3.9
137.09599	5.0
143.04906	2.1
143.06041	5.7
146.05995	0.8
146.97440	1.4
147.04410	4.5
147.08031	3.1
147.11664	6.8
148.07590	1.1
148.08681	0.9
149.02345	2.1
149.05978	2.3
149.09552	1.5
150.03073	1.0
150.06767	2.6
151.03906	0.8
151.07561	1.9
151.11136	1.1
160.05162	1.2
161.05968	77.4
162.06377	2.7
165.05553	3.0
165.06825	1.0
165.09081	3.4
175.03908	1.7
175.07489	3.3
175.11151	4.4
175.14807	7.4
176.03429	0.8
176.06941	0.9
178.02634	2.7
178.06227	2.1
178.07700	0.8
193.04962	20.0
193.08589	31.4
193.10210	1.2
193.12242	5.6
193.14273	1.3
193.15892	9.9
193.17633	1.2
194.15443	0.8
195.21526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41913	0.9
53.03934	2.1
55.01856	2.9
55.05495	2.2
56.05025	1.0
56.96544	1.3
57.07047	1.5
57.76143	0.7
65.03922	2.0
67.05492	5.8
68.05003	1.6
69.03394	3.8
69.07057	1.6
70.06577	1.4
70.16861	3.1
71.04973	1.0
79.05481	4.7
80.04996	1.9
81.03398	3.2
81.07043	4.4
83.04951	3.9
83.06079	1.4
89.03915	1.1
91.05470	14.3
93.07020	5.6
94.06540	3.2
95.04960	11.3
95.08591	2.6
96.08145	1.0
97.02882	1.5
97.06460	1.4
97.07629	2.1
98.20837	1.2
99.04456	0.9
103.05456	7.1
104.04986	1.6
105.03374	1.9
105.07014	18.3
106.06557	4.3
107.04939	2.1
107.08571	2.1
108.04460	2.1
108.08060	1.7
109.02839	1.1
109.06526	4.2
109.07631	3.4
109.10137	1.8
110.06016	1.6
111.04411	4.0
111.09182	1.9
115.05433	3.1
117.05721	2.7
117.07032	2.5
118.04195	1.2
118.06531	16.7
119.04925	3.5
119.05978	0.9
119.08575	14.7
120.04444	2.9
120.08089	5.4
121.06498	2.0
121.07609	1.6
121.10110	1.5
122.06021	2.7
122.07200	0.9
123.04388	2.4
123.08026	2.4
123.11630	1.3
128.04929	3.1
129.05443	2.2
129.06970	2.2
130.06519	39.2
131.04903	3.7
131.05962	1.8
131.07265	2.4
131.08536	1.1
132.04417	2.1
132.08043	1.3
133.02838	13.6
133.05209	17.4
133.06456	12.0
133.10118	6.3
134.05959	4.5
134.06949	1.8
134.08385	1.6
135.08015	2.1
135.11667	2.3
136.07559	22.4
136.08614	1.4
137.05960	6.4
137.09590	2.5
144.04448	11.3
144.08083	1.0
145.05170	0.9
146.05992	83.2
147.04382	3.7
147.06680	7.5
147.08018	4.8
147.09100	1.6
147.11641	3.3
148.03909	19.2
148.07561	35.3
148.08600	1.4
149.02303	1.2
149.05956	2.1
150.03056	2.2
151.03900	1.9
151.07498	1.8
151.11197	1.1
157.10088	1.0
158.06004	12.7
159.06795	24.9
159.09138	14.8
160.09888	3.8
161.02348	2.0
161.05962	7.9
164.07040	4.7
165.05446	4.3
165.06973	2.7
165.09030	2.1
165.10263	1.0
166.08560	0.9
175.03868	3.0
175.07480	3.8
175.08826	4.4
175.11133	2.2
175.14792	2.9
176.07054	100.0
176.09241	5.1
177.07368	3.0
178.02576	9.9
178.07755	1.2
193.04947	36.6
193.09836	14.2
193.12283	3.6
193.14293	1.3
193.15936	4.4
193.17491	1.2
194.04561	1.2
194.08073	1.3
194.15367	1.2
197.14557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03944	12.9
55.01852	8.3
55.05507	14.0
57.03432	64.7
57.07046	2.9
65.03921	6.0
67.05213	3.1
67.05497	28.8
69.03418	6.5
69.07050	8.4
69.55296	13.8
71.04969	4.4
79.05488	32.2
81.02914	2.6
81.03406	49.4
81.07054	24.8
83.04955	6.0
83.08578	6.6
85.06532	6.8
91.05471	75.5
93.06467	4.3
93.07030	59.4
95.04960	33.9
95.08597	17.9
97.06506	7.1
103.05466	5.0
105.07023	78.0
107.04929	7.9
107.08575	20.8
109.06507	16.8
109.10144	21.9
111.04464	4.1
111.08013	2.7
115.05447	7.7
117.06995	11.5
118.04167	3.7
119.04900	9.7
119.08565	100.0
120.05235	5.3
121.02869	2.7
121.06499	53.8
121.10132	8.0
123.04386	4.8
123.08055	5.6
129.06990	8.3
131.08519	10.5
131.91728	2.8
133.02798	11.7
133.06485	23.9
133.10114	62.7
135.08038	8.8
135.11673	4.5
137.05949	11.7
137.08640	3.6
137.09599	38.4
142.07741	7.0
145.10173	4.5
146.07240	6.8
146.97417	6.3
147.04378	5.6
147.08017	18.1
147.11659	48.8
149.02319	8.7
149.05997	4.1
149.09615	4.8
149.13213	2.8
150.06708	2.9
151.07527	6.8
151.11163	2.9
157.10068	8.1
160.08813	9.2
161.05939	11.4
164.35493	2.6
165.05435	10.8
165.09053	5.5
165.12703	4.7
166.08577	2.7
175.03830	4.0
175.11165	38.8
175.14824	13.6
176.03403	2.8
178.02544	12.1
193.04942	70.3
193.06737	5.1
193.08548	11.3
193.10271	3.8
193.12231	36.3
193.14064	4.5
193.15759	13.4
193.17422	2.5
194.08032	4.1
194.15340	5.3
199.92577	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	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.02364	1.3
51.36697	0.7
53.03934	2.2
55.01859	2.8
55.05503	20.1
57.03421	1.5
57.07067	8.2
59.04986	3.6
63.53926	0.7
65.03930	1.9
67.05495	32.8
69.03416	13.3
69.07056	23.0
71.04983	4.7
71.08615	1.9
71.53239	1.0
77.03918	0.8
79.05479	15.4
81.03423	1.7
81.07043	38.2
83.04967	27.0
83.08601	14.6
85.06516	6.3
87.08087	1.2
91.05460	19.1
93.07030	29.5
95.04952	6.6
95.08592	71.4
96.08945	1.3
97.06507	3.7
97.10147	2.9
99.08080	2.8
103.05447	3.3
105.04574	1.0
105.07011	40.6
107.04976	1.7
107.08577	63.0
108.05731	1.1
108.08895	1.6
109.05769	1.4
109.06496	18.6
109.10139	89.2
110.10468	1.3
111.04464	1.0
111.08057	11.2
115.05439	3.5
117.07014	4.4
118.04128	2.6
119.04979	1.1
119.08562	81.8
120.05686	0.7
121.06531	1.1
121.10126	40.6
122.07238	1.7
123.08047	44.6
123.11686	12.6
124.08376	0.9
125.09592	3.7
131.04945	0.9
131.08548	3.0
133.02821	2.9
133.05569	1.1
133.06483	10.4
133.10109	61.0
134.10417	1.2
135.11668	100.0
136.12045	1.9
137.05939	2.1
137.09590	34.9
137.13228	1.6
138.10352	3.5
145.10071	2.5
147.04362	1.1
147.08046	1.5
147.11685	10.7
149.02251	2.2
149.09541	1.4
149.13229	24.1
150.06694	0.9
150.10355	0.9
150.73172	0.7
151.07468	0.9
151.11145	12.2
151.14801	11.2
160.12473	1.9
161.05971	9.4
165.05434	2.4
165.09167	1.1
165.12761	1.3
165.16368	3.7
169.94896	0.7
173.13197	0.8
175.03790	1.0
175.07387	1.1
175.11298	1.4
175.14799	50.9
176.15166	2.0
178.02577	1.8
178.07730	1.0
182.60213	0.7
183.04036	0.7
193.04906	10.6
193.06607	1.3
193.06900	1.4
193.08554	8.1
193.10085	1.4
193.12210	2.2
193.15852	75.3
196.49637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.13150	1.6
51.58025	2.1
53.03937	2.6
55.05502	26.1
57.07048	7.5
57.46244	1.8
59.04970	2.6
67.05175	2.3
67.05497	29.9
69.03405	12.7
69.07053	22.8
70.07402	1.9
70.98929	5.3
71.04977	5.0
79.05471	12.1
81.07045	40.3
83.04971	22.9
83.08597	15.4
85.06512	6.1
91.05473	14.4
93.07034	28.5
95.04941	4.9
95.08589	76.0
96.08883	2.0
97.06510	5.9
105.06386	2.7
105.07026	30.8
105.85237	2.0
107.08582	60.4
109.06506	21.3
109.10139	91.7
111.08045	13.1
111.24667	1.7
113.90941	1.9
117.06976	3.6
119.08571	75.7
120.09172	1.6
121.10125	37.0
123.08049	44.9
123.11684	11.2
125.09648	3.0
131.08487	2.2
133.06474	3.7
133.10110	52.3
133.51814	1.9
135.11673	100.0
137.09598	35.2
138.10301	3.2
147.11661	7.1
149.13249	21.2
151.11185	13.1
151.14758	11.4
159.54289	2.0
161.05885	2.1
165.16357	4.8
175.14804	50.3
191.52734	2.1
193.04858	4.4
193.15851	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03928	1.4
55.01860	1.1
55.05503	10.8
57.07067	2.1
59.04980	1.5
65.03923	1.3
67.05495	12.5
69.07058	28.0
70.04971	1.9
70.05381	2.7
71.04644	1.3
71.04984	17.0
79.05483	9.8
81.03423	1.2
81.06580	1.7
81.07040	24.2
83.04984	2.0
83.08583	3.5
85.06534	12.0
91.05463	9.1
93.07032	25.2
94.04179	0.8
95.04356	1.9
95.04956	37.8
95.08594	20.2
97.06507	4.0
97.10163	8.1
98.27232	0.9
98.27895	0.8
99.08063	3.9
104.73978	0.9
105.06367	1.6
105.07009	14.9
106.07314	1.1
107.07858	1.9
107.08579	34.1
108.08994	0.8
109.06500	100.0
109.10141	14.7
110.06799	1.2
110.10506	1.1
111.08065	7.6
111.11686	3.0
119.08564	26.1
121.10105	7.8
123.04379	1.1
123.08057	8.2
123.11694	19.4
133.02808	2.7
133.06551	1.9
133.10103	25.2
135.11670	31.8
137.05962	2.5
137.09596	14.2
146.97456	1.2
147.04385	1.7
147.07977	1.4
147.11635	4.9
149.02307	3.0
149.13255	7.9
151.11156	5.0
151.14859	0.9
161.05948	1.6
165.05453	3.1
165.09012	1.2
175.03920	1.2
175.07465	1.1
175.11142	1.4
175.14807	37.5
176.03448	1.2
176.14996	1.1
178.02605	2.6
193.04935	16.0
193.08487	2.5
193.10078	2.3
193.12221	3.9
193.15857	57.3
194.08157	1.0
194.15469	1.3
206.46968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.11592	0.5
53.03934	2.6
53.15493	0.5
54.52188	0.5
55.01867	4.6
55.05502	11.2
56.96571	0.9
57.03427	1.9
57.07062	3.4
59.04996	1.5
61.43941	0.5
65.03934	2.1
66.04726	0.6
67.05496	21.0
68.05034	0.8
69.03417	2.8
69.07059	8.0
69.99297	3.0
71.04980	2.4
79.05482	19.0
80.05826	0.6
81.03401	1.6
81.07044	18.2
83.04965	3.5
83.08601	2.1
85.06527	11.9
90.04671	1.0
91.05475	15.2
93.07032	17.4
95.04966	6.8
95.06046	0.6
95.08594	21.4
97.06532	2.3
97.10175	0.8
98.21532	0.5
99.08080	11.3
103.05456	16.3
104.06266	0.8
105.03371	0.9
105.07017	100.0
106.07354	2.3
107.04948	1.1
107.08582	18.4
109.06494	5.2
109.10141	31.1
110.06070	0.7
110.10482	1.1
111.04474	0.7
111.08067	2.4
115.05441	20.7
117.07017	1.7
118.04151	10.7
119.04975	1.4
119.08569	34.1
121.06487	1.1
121.10135	10.8
123.04459	0.6
123.08046	4.5
123.11694	5.3
124.08663	0.6
127.07536	1.6
129.07022	1.2
130.06535	0.5
131.04895	3.1
131.08575	2.3
132.05698	2.2
133.02844	4.3
133.06477	75.3
133.10104	30.9
134.03627	0.6
134.06804	2.9
134.10468	1.0
135.08092	1.3
135.11674	17.9
135.12701	1.0
136.07533	1.5
137.05972	2.9
137.09599	22.1
138.10205	0.6
141.91495	0.5
143.04897	1.5
143.06035	5.8
145.10098	1.9
146.03577	0.9
146.05997	1.8
146.10860	0.6
146.97437	0.7
147.04434	2.0
147.06369	0.8
147.08047	1.3
147.11667	9.2
148.07591	0.9
149.02260	0.6
149.06020	0.9
149.09633	1.1
149.12207	0.6
149.13168	3.2
151.03867	0.9
151.07495	0.7
151.11171	4.0
151.14835	1.1
152.07011	0.6
160.05058	2.1
160.12476	1.0
161.05988	81.0
162.06363	2.6
163.03928	0.7
163.14761	0.6
165.05536	3.1
165.06679	0.6
165.09096	0.6
165.16418	0.8
169.99091	0.6
175.03900	2.0
175.07564	1.1
175.11322	3.0
175.14804	30.5
176.06921	0.7
176.15172	0.9
178.02617	2.3
178.06215	0.7
180.96063	0.6
193.04924	13.2
193.08582	13.2
193.10506	1.1
193.12253	4.3
193.15860	34.1
194.08011	0.7
194.15347	0.7
203.74078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.80973	0.9
53.03931	3.5
53.70313	1.0
55.01868	2.9
55.05503	44.1
55.95882	0.9
56.96553	1.1
57.03410	0.8
57.07061	3.6
59.04995	1.7
65.03931	1.9
66.04755	0.8
67.05497	26.1
69.03418	2.9
69.07059	26.3
70.77794	2.6
71.04995	4.3
79.05480	21.0
80.05011	0.9
81.03402	2.3
81.07046	54.8
82.07404	1.0
83.04971	100.0
83.08605	4.5
84.05299	1.0
85.02837	1.1
85.06540	2.2
91.05470	13.5
93.07024	16.0
95.04958	7.9
95.08595	22.9
95.80139	1.0
97.02869	1.4
97.06509	4.6
97.10146	1.0
99.08100	2.1
101.36336	0.8
103.05465	1.9
105.07019	23.4
107.04939	1.2
107.06871	2.3
107.08581	21.6
109.06512	11.5
109.10144	41.1
111.08067	7.4
111.11705	2.6
115.05444	1.8
117.06988	1.8
118.04175	1.0
119.08566	29.2
121.06499	1.6
121.10149	8.1
123.04405	1.3
123.08052	9.2
123.11675	7.8
124.08688	1.0
125.09653	1.7
131.08562	3.5
133.02835	4.6
133.06497	8.3
133.10115	29.1
134.10555	1.0
135.08043	1.9
135.10652	1.8
135.11664	17.4
136.07616	1.0
137.05989	2.4
137.09599	33.0
138.10341	1.3
146.06003	1.5
147.04440	2.7
147.08031	2.3
147.11671	9.8
149.13245	4.9
150.03159	1.0
151.11154	3.3
151.14862	1.4
157.10097	1.0
158.34726	0.8
160.05130	1.5
161.05504	5.8
165.05492	3.1
165.06921	1.4
165.09106	0.8
167.01837	0.9
175.03818	1.2
175.07574	1.9
175.11230	2.8
175.14810	23.2
178.02599	1.9
193.04913	17.6
193.08522	4.4
193.10715	0.9
193.12276	4.5
193.14000	1.3
193.14391	0.9
193.15858	26.8
193.17641	1.3
194.08067	1.5
194.15431	1.3
207.53090	0.8
210.22827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01865	2.4
55.05500	2.4
56.00260	1.2
56.96558	100.0
57.03432	4.1
59.04971	0.5
60.95843	1.4
61.02921	4.2
65.00785	1.0
65.03931	14.9
66.04259	0.5
66.04721	1.1
67.01852	0.7
67.05495	43.9
67.76261	0.6
68.05828	2.2
68.99783	0.7
69.03419	13.6
70.79684	1.2
70.80027	1.0
70.98102	0.8
71.01355	2.1
71.04963	0.6
71.95259	4.5
72.96036	1.6
73.02922	1.8
73.74838	0.5
74.97602	3.9
75.01037	1.1
77.00830	0.7
79.05496	2.5
81.01051	0.6
81.03398	1.5
81.07060	1.8
81.99977	1.1
83.00774	2.0
83.04972	8.6
83.05435	0.8
84.01545	1.0
84.04496	0.9
84.05296	0.6
84.96020	4.6
85.02911	5.5
85.06533	0.9
87.04462	1.0
88.01784	2.9
89.00774	1.6
89.03924	1.0
91.00536	1.2
91.05476	2.0
92.01289	4.1
93.01038	1.0
93.03396	14.4
93.07052	1.1
94.01802	5.8
94.03716	0.9
95.01334	1.5
95.04962	15.2
96.05309	0.8
97.00518	0.6
97.02334	4.9
97.02856	1.2
98.01284	1.1
98.97575	10.5
99.01900	0.6
99.04476	0.8
101.00825	0.9
102.01537	7.2
102.97043	1.2
103.00528	1.1
103.02315	15.5
103.05457	1.0
103.52523	0.6
104.01242	0.6
105.00132	5.8
105.03351	0.7
105.07021	1.1
106.06567	0.9
106.07284	0.7
107.00742	4.3
107.04964	2.3
109.02884	1.7
109.06529	0.7
110.01320	0.7
110.97575	1.7
111.00227	1.9
111.02065	5.0
111.04446	6.7
112.01077	1.5
112.02824	4.1
113.02357	7.3
114.53123	1.3
115.02361	1.1
116.01254	13.9
116.51427	0.7
116.98616	6.7
117.02048	0.9
118.01011	0.8
118.03512	0.8
119.01890	4.3
120.00764	1.5
120.01936	0.7
120.08126	1.6
121.02864	6.3
121.06508	0.8
123.01189	11.7
123.02037	1.2
123.04455	1.5
124.99131	1.0
124.99953	0.6
125.01775	12.2
125.51956	0.7
126.02599	1.0
127.00543	1.4
127.02358	0.7
127.04149	0.6
127.52090	1.5
128.02313	1.7
128.98621	2.6
129.01279	0.8
130.02821	1.3
130.06506	0.8
131.00122	1.0
131.01904	1.2
131.04926	0.9
133.03461	1.7
134.00497	2.2
134.02272	4.6
134.05972	1.0
134.99643	6.3
135.03055	1.0
135.04404	1.6
136.02762	0.9
136.52634	0.6
137.02864	0.9
137.96033	0.6
138.05499	1.0
139.00638	5.3
139.03911	6.4
140.98589	0.9
141.02208	11.3
141.03946	1.1
141.05479	0.7
142.96564	2.0
143.00133	1.2
144.98015	0.7
145.01645	2.2
145.03563	0.9
146.99664	2.7
148.03943	0.7
148.07567	3.0
148.11218	0.7
149.06012	1.9
151.00645	3.4
151.03931	0.9
153.04024	1.1
153.05367	0.7
155.00153	1.4
155.01839	0.5
156.97462	0.6
157.01709	11.2
157.03128	0.7
157.03564	0.6
158.99672	1.8
159.03275	1.3
160.97606	2.3
161.01224	2.3
161.02866	0.6
162.68016	0.6
162.99147	1.3
163.03909	1.4
163.52936	0.6
165.00829	0.6
166.08672	1.7
166.98769	0.6
167.00044	2.7
167.60333	0.6
168.05038	0.7
168.95160	0.6
168.98036	0.6
169.01720	12.9
169.03174	1.0
170.02098	0.7
170.99649	1.8
171.01411	2.0
171.03485	0.7
171.05069	2.1
173.01270	1.0
174.98668	0.6
175.02788	2.7
176.03453	1.8
176.07034	1.3
177.00691	1.5
177.05478	2.0
177.07378	2.2
178.98650	1.3
185.01190	10.0
186.99153	1.6
187.02779	15.4
187.04475	1.2
188.03157	0.6
188.92482	0.9
188.97087	2.9
189.00693	4.8
189.02429	1.5
191.02145	0.7
193.00119	0.8
194.02971	0.8
194.04691	0.7
194.07997	2.9
194.10223	1.6
194.11838	0.9
194.13803	1.1
194.15457	4.3
194.99622	3.0
195.02988	1.1
195.04976	1.0
195.06483	4.2
201.00592	0.8
203.02211	3.6
205.00240	1.8
205.03879	1.7
206.98071	3.4
207.01759	0.9
210.04396	1.2
213.00679	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01859	1.0
55.05504	1.1
56.05017	0.5
57.03426	0.9
57.07063	0.5
63.02369	1.0
65.03920	2.1
67.05489	1.2
68.96322	0.6
68.99776	0.5
69.03436	1.1
69.07045	1.0
70.06557	1.1
70.94228	0.5
71.03112	0.6
71.03432	0.7
71.04964	0.9
78.04697	1.7
79.05478	5.0
81.03403	1.0
81.07057	2.5
83.04972	0.7
83.06107	0.9
84.08125	0.6
85.02890	1.3
89.03909	31.7
89.06004	0.7
90.04288	0.4
91.05488	4.4
93.03384	1.3
93.07036	3.1
94.04186	0.9
95.04962	4.1
95.08611	1.0
97.02869	0.5
97.06515	0.9
97.07680	0.5
99.05553	0.7
103.05449	2.0
105.03381	0.5
105.04505	0.9
105.07018	1.2
106.04155	2.5
107.04940	2.7
107.08575	1.9
108.05684	0.6
109.02861	1.5
109.06518	1.4
109.07603	0.6
111.04440	2.5
111.08046	0.9
111.09199	0.5
117.03371	56.7
119.04908	0.6
119.08588	0.4
121.02872	2.5
121.06503	3.3
121.10133	1.5
122.03609	0.8
123.04418	2.0
124.05225	1.9
125.02346	0.6
125.05945	0.6
130.96300	1.0
131.04886	0.7
131.96133	1.3
132.08138	0.7
133.02797	0.7
134.03616	9.0
135.04408	11.5
135.08044	1.9
135.11687	0.7
136.08617	0.6
137.02304	1.0
137.05994	0.6
137.07054	0.5
137.10669	0.6
138.06572	0.6
139.03899	1.4
139.07523	1.9
145.02832	90.6
146.03171	1.2
147.04416	0.6
148.97343	2.0
149.02321	2.0
149.05968	26.2
149.09584	1.9
149.13336	0.5
149.97203	2.6
150.06451	0.8
151.03894	3.2
152.04668	3.3
153.05470	3.9
153.97914	0.6
154.05003	1.0
155.07019	1.0
158.05940	0.7
162.03133	2.7
163.03888	10.2
165.06764	0.7
167.03415	1.6
167.07034	0.9
167.08348	0.5
171.98985	1.0
172.98785	0.8
177.05455	100.0
177.08983	1.8
178.05768	1.6
183.02910	1.0
186.05515	2.8
195.01129	0.9
195.02876	8.2
195.06520	24.2
195.08170	1.2
195.10197	2.0
195.12444	0.6
195.13963	0.6
195.15805	0.8
198.05257	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
62.88111	0.4
63.02378	1.1
69.86760	1.4
69.87170	1.2
72.23574	0.4
76.13836	0.4
78.04706	1.0
79.05483	1.4
89.03905	23.7
91.05461	2.6
93.03392	0.6
93.07053	1.1
95.04961	1.2
103.05463	1.2
106.04158	1.7
107.04913	1.2
109.06549	0.5
111.04430	1.0
117.03367	49.4
119.04990	0.6
121.02853	0.5
121.06475	1.5
121.10150	0.4
124.05224	0.6
125.05988	0.8
134.03612	8.9
135.04388	6.6
137.02342	0.5
145.02826	89.3
146.03154	1.4
146.95828	0.5
147.04330	0.5
149.05963	22.2
150.45677	0.5
151.03929	0.9
152.04672	0.9
153.05434	2.1
158.05937	0.5
162.03088	1.8
163.03893	9.5
167.07025	0.7
177.05447	100.0
178.05785	1.2
186.05458	1.5
195.02847	1.5
195.04886	0.7
195.06529	6.8
198.05286	0.6
205.24544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03936	1.1
55.01863	1.4
55.05504	1.9
57.03431	0.6
57.07077	0.7
60.78783	0.5
60.97902	0.6
62.17745	0.5
63.02368	0.8
65.03934	1.2
67.05502	2.3
68.99771	1.0
69.03423	0.7
69.07056	1.8
69.40366	2.9
69.40784	1.4
71.04993	1.0
78.04713	1.4
79.05476	4.8
81.03394	0.9
81.07049	4.6
83.04971	1.3
83.08616	0.6
85.02901	0.6
85.06539	4.0
89.03905	24.6
89.06028	0.9
91.05476	4.8
93.03412	1.0
93.07032	5.9
95.04982	3.7
95.08607	3.6
97.06531	1.2
101.25377	0.5
103.05454	3.5
105.07004	2.2
106.04167	2.1
107.04949	8.7
107.08577	5.1
109.02884	0.9
109.06505	2.0
109.10149	1.9
111.04440	1.3
111.08056	1.0
115.05448	0.9
117.03367	45.5
117.06993	1.0
118.03632	0.7
119.04942	1.1
119.08545	0.8
121.02860	0.7
121.06498	3.7
121.10126	6.6
123.04414	0.9
123.08021	1.2
124.05209	1.4
125.05923	1.0
125.09589	0.6
131.04906	1.6
131.08585	1.0
133.10139	1.1
134.03618	7.0
135.04399	9.8
135.08023	3.8
135.11725	3.0
137.02399	0.7
137.09621	0.6
137.13210	0.9
139.03903	2.5
139.07535	0.8
139.11214	1.0
145.02827	85.3
146.03191	1.4
148.97337	0.8
149.04770	1.2
149.05963	23.2
149.09587	1.7
149.13226	1.9
149.97226	0.7
150.06323	0.6
151.03912	1.9
151.07530	2.3
152.04747	2.4
152.05893	0.5
153.05467	1.5
153.09055	0.6
153.97923	0.7
154.06239	5.4
158.05972	1.0
159.11705	1.2
162.03098	2.3
163.03896	10.6
163.07533	2.8
165.06972	0.9
167.07034	1.2
167.08394	0.5
167.10699	0.7
171.98943	0.9
177.05449	100.0
177.12740	2.4
177.16353	0.9
178.05794	1.8
180.07893	0.6
180.09383	1.0
186.05495	4.4
194.73508	0.6
195.02826	3.6
195.06516	15.5
195.08090	1.7
195.10040	3.5
195.11670	1.0
195.13757	1.6
195.15707	1.2
195.17403	1.1
198.05228	2.0
208.67046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03941	2.5
55.01857	6.7
55.05500	12.2
55.21273	1.0
56.96536	1.2
57.03419	2.4
57.07061	3.4
62.28918	1.0
65.03918	2.3
66.04723	0.9
67.05498	14.8
68.96325	1.0
68.99764	1.6
69.03419	5.1
69.06719	1.3
69.07057	18.4
71.01329	1.0
71.04986	9.3
71.08588	1.5
71.53025	1.5
71.53452	1.2
78.04701	1.4
79.05482	37.2
80.04998	1.3
80.05819	1.3
80.06248	1.3
81.03405	3.5
81.07049	47.2
83.04962	4.7
83.08596	4.1
85.02913	1.6
85.06052	1.9
85.06530	21.9
89.03904	5.1
89.06026	2.3
91.05463	20.5
93.07033	69.1
93.63915	1.0
94.04169	1.5
95.04952	13.9
95.08601	20.6
97.06519	60.9
97.10181	5.7
97.10680	1.0
99.04433	2.2
99.08093	2.3
101.06002	1.1
103.05454	3.2
105.07015	15.8
107.04945	10.2
107.08580	52.6
108.05630	1.1
108.08908	1.1
109.02863	2.0
109.06529	7.5
109.10118	6.8
109.98916	1.2
110.07127	1.0
111.04408	2.8
111.08081	5.6
111.11699	1.6
113.05962	1.6
115.51858	1.1
115.60213	1.0
117.03369	11.5
117.06985	4.0
119.04929	1.7
119.06020	1.2
119.08570	14.6
120.51388	0.9
121.06511	9.9
121.10129	100.0
122.03616	1.7
122.10469	1.8
123.04411	3.7
123.08055	9.4
123.11665	3.0
124.88807	1.1
125.05962	2.3
125.09605	12.0
129.06996	1.4
130.96368	1.4
131.04898	1.8
131.08572	5.5
131.96155	1.4
131.97269	1.1
133.06439	1.2
133.10120	5.2
134.03583	2.1
135.04407	5.9
135.08032	9.4
135.11696	9.3
136.05128	1.3
137.02325	3.2
137.05980	2.2
137.09642	6.3
137.13260	7.4
137.83940	1.0
138.06677	1.3
139.03880	1.3
139.07492	2.6
139.11147	2.4
144.09357	2.4
145.02832	21.2
147.11717	3.1
148.97350	3.7
149.05978	11.7
149.09579	9.3
149.13242	25.1
149.97145	4.4
150.13530	1.8
151.03870	7.4
151.07523	10.2
151.11160	2.3
152.04706	6.0
152.06122	1.1
153.05438	3.6
153.07030	1.0
153.09076	2.6
153.12744	1.3
153.97885	1.2
155.07043	1.6
157.67841	1.0
159.11673	14.0
163.03897	7.7
163.07512	2.4
165.05598	1.6
165.06975	15.6
165.12788	2.7
167.03358	1.5
167.07007	3.3
167.08551	3.7
171.98964	2.1
172.98747	1.2
177.05449	24.7
177.09082	3.9
177.12724	29.2
177.16335	4.8
178.13069	1.1
179.08517	3.3
180.04240	1.7
180.09317	11.9
182.05792	1.1
183.02878	2.1
186.05476	1.2
195.01251	1.3
195.02855	12.2
195.06505	49.8
195.07982	3.1
195.10117	10.8
195.11697	15.2
195.13774	23.8
195.15675	2.3
195.17390	6.0
196.06952	1.4
196.16968	1.9
198.05211	5.6
211.46198	1.1
212.13705	1.0
213.07480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01874	2.3
55.05507	13.8
57.03416	1.1
57.07072	11.6
57.23746	1.2
61.47543	0.9
65.03924	2.1
67.05508	9.6
69.03417	5.2
69.07063	26.0
69.34489	11.3
71.04968	3.6
79.05492	12.1
79.06713	1.0
81.07055	34.9
83.04994	1.7
83.08612	12.9
85.06532	4.0
91.05474	8.5
93.07037	24.7
95.04974	3.2
95.08601	57.5
97.06496	1.5
97.10148	5.7
99.08087	19.9
105.06994	4.2
107.04940	5.2
107.07849	2.3
107.08585	37.6
109.06489	1.6
109.10147	16.2
111.08068	8.0
111.11675	1.8
113.09617	2.4
117.03393	1.8
117.07010	1.2
119.08560	2.4
121.02983	1.2
121.06469	2.6
121.10134	61.0
122.10539	1.2
123.08041	3.4
123.11696	12.6
125.09624	12.1
131.08572	1.6
133.02863	2.6
135.04424	2.3
135.11671	19.6
137.05983	1.7
137.13246	100.0
139.11148	3.6
145.02802	5.2
149.05965	4.0
149.09598	2.0
149.13316	5.4
151.03920	2.4
151.07552	7.1
151.14799	2.6
152.04611	1.7
162.94664	1.2
163.03851	2.5
165.05466	1.6
167.08604	1.7
177.05432	8.8
177.09061	2.3
177.16373	64.0
178.16745	1.7
195.02899	3.9
195.06561	18.5
195.08252	2.3
195.10104	5.0
195.11728	1.9
195.13770	2.6
195.17430	37.7
196.17819	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	195.1742
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
51.02417	0.5
52.57162	0.4
53.03935	0.6
55.01854	0.6
55.05506	6.3
56.58046	0.5
57.03433	0.7
57.07067	11.5
65.03940	0.5
67.05492	5.5
67.87451	0.4
69.03424	1.0
69.07058	10.3
71.04974	0.5
71.08592	0.9
71.08929	0.8
79.05486	5.0
81.07047	22.4
83.08607	9.1
85.02912	0.5
85.06522	0.6
89.03909	0.9
91.05451	3.4
93.07032	13.5
95.04967	1.3
95.08595	48.4
96.08929	1.0
97.06526	1.4
97.10175	2.5
99.08075	1.2
103.05482	0.7
105.07041	3.5
107.04933	3.6
107.08581	27.2
108.05698	0.4
109.06519	0.8
109.10139	11.5
111.08075	2.8
111.11707	0.6
117.03384	1.3
119.08578	1.2
121.06440	0.9
121.10126	41.0
123.08009	0.5
123.11690	11.7
125.09608	3.2
133.10089	0.5
135.04405	0.6
135.08044	1.2
135.11673	13.8
137.13235	100.0
138.13556	1.7
139.11156	2.2
145.02806	2.2
149.05969	1.2
149.13217	4.1
151.03842	1.1
151.14795	1.1
152.04683	0.6
153.09961	0.4
163.03835	1.0
163.07510	1.4
167.07042	0.8
175.17363	0.5
177.05469	2.4
177.16367	40.7
178.16725	1.0
195.02867	1.1
195.06480	4.3
195.08093	0.8
195.10153	1.1
195.17421	33.9
196.17854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03930	3.9
55.01846	4.6
55.05504	19.2
56.96548	2.6
57.03425	4.8
57.07063	12.2
59.45641	1.5
65.03919	2.9
66.04679	2.5
67.05491	14.3
68.96303	2.3
69.03402	6.3
69.07059	25.1
70.26563	7.4
71.04971	6.6
71.08596	2.1
72.93787	1.6
79.05483	18.4
81.03421	3.3
81.06570	3.3
81.07046	50.7
83.04967	4.4
83.08598	13.3
85.02891	2.9
85.06522	4.9
89.03910	20.6
89.06006	3.5
91.05459	18.5
93.07030	35.3
94.04189	4.6
95.04968	12.5
95.08590	75.7
97.06534	8.8
97.10136	5.8
99.08078	3.2
103.05477	5.4
105.07025	9.6
107.04939	19.5
107.08577	55.6
108.05661	2.5
109.02870	2.8
109.06496	6.3
109.10133	18.5
111.04447	3.4
111.08054	7.1
113.09580	2.2
117.02592	2.8
117.03360	32.8
117.06996	2.8
118.03614	1.8
119.08553	5.2
121.02864	4.1
121.06482	7.4
121.10126	71.5
122.03595	2.9
123.04389	5.5
123.08082	1.8
123.11697	15.6
124.05164	4.2
125.05946	3.0
125.09635	4.3
127.99863	2.1
131.08519	3.2
133.02855	3.4
133.10120	3.7
134.03590	6.2
135.04407	12.3
135.08011	9.1
135.11676	26.4
137.02289	5.9
137.05948	3.6
137.09639	2.8
137.13235	100.0
138.13556	2.5
139.03867	3.2
139.07516	4.5
139.11200	2.2
145.02821	59.9
147.04388	3.5
147.78249	2.0
148.97325	5.8
149.05978	27.7
149.09590	7.2
149.13216	11.5
149.97200	5.7
150.08971	1.7
151.03865	12.1
152.04657	14.5
152.06148	2.7
153.05389	3.3
153.09087	4.0
153.12712	1.9
153.97775	1.9
154.02635	2.6
155.07028	2.1
159.11679	4.3
163.03926	11.7
163.07549	3.4
165.06914	3.9
167.07008	7.2
167.08391	2.0
167.98247	2.4
171.98962	4.1
177.05441	72.1
177.09045	5.7
177.12714	6.7
177.16362	56.4
178.05847	2.4
180.09323	3.6
183.02792	2.2
186.05444	3.7
195.01208	3.1
195.02812	12.8
195.06509	79.8
195.08038	5.2
195.10172	7.7
195.11696	6.8
195.13600	9.6
195.15593	4.2
195.17384	43.6
195.19069	2.7
196.09819	2.1
196.17075	2.0
198.05244	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	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03156	0.5
53.00297	0.3
53.03928	0.8
55.01865	2.2
55.05488	0.4
65.03942	2.2
66.51799	0.3
67.05499	2.3
69.96180	1.5
70.95850	2.0
71.05005	0.4
72.93777	0.9
73.02909	18.9
77.03904	0.5
79.05466	0.6
81.07065	0.5
83.04974	0.5
85.02899	0.5
88.96875	0.4
91.03968	0.3
91.05469	4.4
93.03388	1.2
93.07054	0.4
95.04966	2.3
95.08592	0.4
99.04473	0.3
105.04520	0.3
105.07019	1.0
107.04944	0.5
107.08572	1.4
108.02092	2.3
109.02877	0.5
109.06528	0.6
109.10162	0.6
110.03648	2.7
111.04440	2.1
111.98459	1.8
113.08218	1.3
113.96394	0.3
117.03378	0.6
119.04922	1.8
119.08596	0.3
123.04432	0.7
123.08039	0.4
125.05979	13.1
127.03939	0.3
129.99515	0.9
132.95801	2.7
133.10141	1.6
135.11696	0.7
136.01604	0.3
137.05988	2.2
137.08188	0.6
138.06754	1.3
139.03941	0.3
141.05457	3.8
143.07079	0.3
147.04326	0.3
149.05963	2.8
150.96883	5.0
151.03894	100.0
151.04977	7.6
151.07434	3.9
152.04208	1.8
154.06241	1.0
155.09253	0.8
155.97391	1.7
161.09630	0.7
167.06993	0.3
169.08646	1.3
169.09981	0.3
173.98454	3.1
179.07024	18.6
179.10442	1.4
180.07472	0.4
197.06197	0.4
197.08075	5.7
197.09897	0.3
197.11781	1.2
198.18521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03931	0.6
55.01857	2.1
59.06108	0.3
65.03934	1.8
67.05493	2.0
69.78220	1.9
70.86430	0.3
70.95848	1.2
72.93761	0.7
73.02908	21.4
85.02859	0.4
89.03887	0.4
91.05477	3.2
93.03389	1.0
93.07017	0.4
95.04958	1.6
105.07010	0.5
107.04946	0.4
107.08586	1.0
108.02079	2.6
109.02827	0.6
109.06475	0.4
109.10136	0.4
110.03645	2.8
111.04413	1.8
111.98459	1.2
112.01604	0.4
113.08227	0.6
113.96445	0.3
119.04922	2.1
121.04005	0.5
123.04346	0.4
125.05978	16.8
132.95786	1.5
133.10121	0.5
135.11728	0.5
137.05946	1.4
138.06671	0.6
139.03780	0.3
141.05450	3.5
149.05940	2.9
150.96892	3.1
151.03888	100.0
151.04985	8.1
151.07405	3.1
152.04207	1.4
155.97426	0.9
161.09621	0.4
169.08601	0.8
173.98509	2.7
179.07016	19.7
179.10625	1.0
197.08090	6.3
197.11798	0.6
198.18536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.44762	1.0
53.03941	2.5
55.01856	1.7
55.05487	5.2
57.03387	1.3
59.04970	3.1
60.04527	1.5
61.47215	1.2
62.32355	1.1
65.03937	1.7
65.42564	1.1
67.05501	7.2
68.99781	1.5
69.03413	1.5
69.07064	2.5
70.95850	6.1
71.04974	1.3
71.28933	1.2
71.29285	2.7
72.93769	3.3
73.02922	6.0
79.05495	6.3
81.07041	9.7
83.04945	1.4
91.05463	20.5
93.07034	27.6
95.04962	10.8
95.08585	3.7
95.99664	1.1
97.06530	2.0
99.04446	1.5
105.07010	36.2
107.08576	70.0
109.06508	6.8
109.10123	7.2
111.04459	2.0
111.98467	7.1
113.08217	3.7
117.06979	2.4
119.04939	2.8
119.08575	8.2
121.06486	5.9
121.10104	2.1
123.04406	4.0
123.07998	1.8
123.11647	4.1
125.05973	11.7
127.03895	3.1
129.99469	3.1
131.08514	3.2
132.95825	12.4
133.10110	72.9
135.08063	2.3
135.11671	59.2
137.05928	8.9
137.08257	1.7
137.09592	5.7
138.06729	5.5
139.03836	1.3
141.05464	2.5
143.08546	1.3
146.07231	2.0
149.05959	1.8
150.96851	19.6
151.03888	31.5
151.05002	2.2
151.07513	3.1
151.11156	7.5
154.06230	2.5
155.09282	3.2
155.97377	9.0
161.09586	36.6
169.08569	3.6
173.98474	15.6
179.07237	6.4
179.10643	100.0
179.36818	1.4
180.11075	2.8
197.08008	5.4
197.11705	65.9
198.11952	1.9
198.18538	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03944	0.7
53.07402	0.6
55.01863	1.4
55.05511	2.7
57.07060	0.8
60.04498	0.7
60.15736	0.6
61.02914	1.9
65.03937	1.2
67.05492	3.6
69.03423	2.6
69.07053	1.2
70.68250	1.4
70.68616	1.2
70.95859	5.7
71.04976	1.3
72.93771	3.0
73.02907	1.8
79.05485	8.9
81.03378	0.9
81.07050	8.6
83.04967	1.5
88.96893	1.5
91.05471	14.2
93.07030	22.6
93.07618	1.1
94.29810	0.6
95.04973	3.6
95.08595	6.5
97.06503	1.5
104.12161	0.6
105.07014	32.1
105.63708	0.7
107.04967	1.2
107.08580	100.0
108.08916	1.2
109.06508	4.6
109.10147	5.4
111.04465	0.8
111.98434	4.4
113.08256	2.1
113.96339	0.8
115.05425	1.1
117.07018	1.3
119.04935	1.9
119.06098	0.7
119.08569	16.9
121.06484	2.7
121.10128	14.4
123.04408	1.8
123.08052	3.0
123.11683	3.1
125.05992	1.5
125.09612	1.7
127.03867	0.6
128.06198	1.4
129.99525	4.4
131.08562	3.4
132.05667	1.0
132.95811	7.7
133.06474	2.0
133.10112	60.8
134.10542	0.6
135.07999	0.6
135.11682	6.0
137.05971	3.7
137.08148	0.9
137.09598	2.9
138.06699	2.2
139.03908	1.2
139.07472	3.1
143.08554	2.4
146.07225	1.5
149.09587	10.7
150.96869	18.0
151.03905	2.6
151.07504	2.7
151.11168	17.8
154.06261	1.6
155.09425	0.9
155.97411	5.6
161.09595	16.4
162.05524	0.7
167.10655	26.6
167.12088	1.3
168.97890	0.8
169.08597	1.7
173.98468	11.3
179.10654	40.0
180.11063	0.8
182.05794	0.6
183.06926	0.7
196.07472	1.3
196.78075	0.6
197.00224	0.8
197.06035	1.1
197.08212	5.4
197.11713	50.4
198.07561	1.0
198.09158	0.9
198.11987	0.9
198.15251	0.6
198.18518	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03939	2.6
55.01857	8.6
55.05502	19.0
57.07066	4.4
59.04991	5.6
59.06109	1.6
60.04507	5.2
62.51106	1.6
65.03918	2.9
67.05498	13.0
69.03415	6.1
69.07047	5.7
70.06593	1.7
70.95860	19.5
71.04977	3.9
71.06064	1.8
71.54435	2.6
72.93777	13.9
73.02898	1.9
79.05495	12.8
81.07050	29.5
83.01363	1.8
83.04955	4.3
83.08601	1.5
87.04440	2.9
88.96905	7.1
90.94836	3.9
91.05481	25.5
92.02666	1.9
93.07035	29.7
94.06561	2.5
95.04956	17.4
95.08609	6.5
97.06519	11.0
99.04443	8.7
104.73424	1.7
105.03395	2.0
105.07018	43.3
106.98030	1.9
107.04926	4.6
107.08586	78.8
108.92371	1.6
109.06525	18.8
109.10155	12.4
110.07162	2.4
111.04451	3.8
111.98472	18.9
113.05968	2.2
113.08253	13.3
113.96391	3.1
119.04944	3.1
119.08591	9.8
121.06499	11.5
123.04411	7.8
123.08050	2.9
123.11681	4.4
124.05082	1.6
125.05975	71.1
127.03907	26.5
128.06235	2.5
128.56911	1.6
129.99509	10.1
131.08543	2.9
131.97475	1.8
132.95819	21.8
133.06509	2.9
133.10114	80.1
135.08055	2.6
135.11682	51.0
137.05963	84.0
137.08214	4.3
137.09581	18.8
138.06718	12.3
139.03842	2.0
139.07515	3.6
141.05458	2.4
141.06956	2.2
143.08592	5.3
145.04933	2.5
150.96869	65.0
150.98062	3.3
151.03920	9.8
151.07549	3.0
151.11174	8.3
154.06229	7.9
154.07495	2.0
155.09258	6.7
155.97411	19.1
161.09599	43.5
162.05403	1.7
167.43791	2.0
168.97922	3.2
169.08594	8.4
173.98476	40.0
173.99886	3.3
179.10652	100.0
182.10902	2.0
197.00058	3.5
197.06067	3.9
197.08032	7.9
197.10103	4.3
197.11726	62.3
197.13213	2.9
198.07652	2.4
198.18494	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	197.1322
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
51.67603	0.3
53.04811	0.2
55.01852	0.4
55.05508	2.1
57.07057	1.2
60.04498	0.3
65.03935	0.4
67.05484	1.0
67.66389	0.2
69.07045	0.7
69.36772	1.9
69.37182	0.4
70.34287	0.2
70.95844	0.6
72.93766	0.5
79.05480	0.4
81.07036	0.8
81.20888	0.2
81.71628	0.2
83.08585	1.0
91.05472	0.6
93.06992	0.6
95.04951	0.7
95.08578	0.8
97.10177	0.4
98.26863	0.2
105.03365	0.5
105.07019	1.4
107.08587	1.8
109.06477	0.3
109.10140	0.9
111.98454	0.5
115.05421	0.7
119.04899	0.3
119.08549	0.4
128.06171	1.2
128.24963	0.3
129.06979	1.0
129.99489	0.5
132.95811	1.0
133.10130	1.2
135.11662	1.0
137.09590	0.4
138.06725	1.0
139.03845	0.5
141.06972	5.5
142.07765	1.2
143.08536	3.9
150.96877	2.0
151.03845	0.5
151.14784	0.7
152.06198	0.5
153.06970	4.2
154.06224	0.9
154.07738	3.0
155.08531	19.5
155.97409	0.6
156.09331	4.1
157.04391	0.2
157.10123	1.8
161.09570	0.7
165.06934	1.2
166.07687	0.5
167.08539	19.5
168.09322	6.0
169.06421	0.9
169.08601	1.0
169.10081	13.2
170.10486	0.4
173.98436	1.5
178.07721	0.7
179.07004	0.4
179.08527	3.5
179.10568	1.9
180.09082	0.4
181.06453	1.4
181.10101	2.4
182.07417	2.3
182.10887	31.3
183.11234	0.9
195.11688	0.8
196.12523	0.3
197.09637	10.2
197.13229	100.0
198.07532	0.5
198.10091	0.5
198.13589	3.1
198.18506	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	198.0763
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03930	1.8
55.01855	2.2
55.05497	5.7
56.05021	0.7
56.96558	32.6
57.03431	6.4
57.07069	3.3
58.06577	1.4
60.04235	0.9
60.04515	10.8
60.95829	1.4
61.02920	2.7
65.03933	2.8
67.05495	4.8
68.05007	0.9
69.03415	4.3
69.07057	5.6
70.06575	1.9
70.98090	1.6
70.99825	0.9
71.01316	0.6
71.04988	2.8
71.08610	1.0
71.24193	0.5
71.55781	0.6
71.56196	1.0
71.95249	3.9
72.04509	1.3
72.08149	0.8
72.96017	1.6
73.02924	2.8
74.02439	0.7
74.97594	0.8
79.05487	3.1
81.03391	2.4
81.07033	2.6
82.06567	2.1
83.04962	1.7
83.08605	4.6
84.04477	0.8
84.96006	1.8
85.02890	4.1
86.06050	1.1
88.99128	1.2
91.05456	2.4
92.01227	0.6
92.04962	0.8
93.03379	4.0
93.07013	1.5
94.06542	4.4
95.01305	0.7
95.04961	7.6
95.06062	4.4
95.08591	1.4
96.08113	1.3
97.02892	3.9
97.06541	1.2
97.10175	2.9
98.06046	0.6
98.97566	12.6
99.04425	1.7
100.02480	1.0
100.07587	1.6
101.00864	1.4
101.02452	0.5
102.00916	0.6
102.02216	0.6
103.02415	0.7
104.01277	0.7
106.01003	1.3
106.06523	2.6
107.04937	15.7
107.08578	0.7
109.02855	2.8
109.05103	0.7
110.01266	1.2
110.06031	3.8
110.97562	2.4
111.04433	10.8
112.84691	0.5
113.01681	0.7
113.03489	0.6
114.09150	1.2
116.00172	0.7
116.97262	1.2
116.98602	10.4
117.01949	1.0
118.03494	2.2
119.01875	7.8
119.04872	0.9
120.01949	2.7
120.04456	1.2
121.01614	1.2
121.02854	0.8
121.10091	0.9
122.02275	0.8
122.06034	0.6
123.04400	1.0
124.04710	0.6
124.07623	2.9
124.95455	3.5
125.06006	0.8
126.02547	0.8
126.05491	0.6
127.03866	1.3
128.02339	1.6
128.35927	0.6
128.98608	4.1
130.08626	0.7
131.00174	1.6
131.01842	3.0
132.55907	0.6
133.01624	1.2
133.03435	1.4
134.05991	7.1
134.99637	5.5
135.03250	1.0
135.04391	19.6
137.02945	1.5
137.05971	0.9
138.05476	4.5
139.03886	19.1
140.02274	0.7
140.98555	0.6
142.03496	0.9
142.96506	10.8
143.00067	0.7
143.08385	0.6
145.01698	0.7
146.99631	5.4
147.01385	0.8
147.05019	1.0
149.02863	1.4
150.06178	0.6
150.96881	0.9
152.07039	46.1
154.13316	1.1
156.06465	3.1
156.97429	0.8
158.99590	1.8
160.97574	15.1
161.01201	1.1
161.02916	2.0
162.05450	5.6
162.99126	0.8
163.02666	1.0
163.03873	4.9
164.07053	0.7
165.00703	2.5
165.98083	0.8
170.06619	1.0
170.99664	0.9
173.02888	0.7
174.96944	0.6
174.99023	4.9
175.00772	1.3
175.02589	0.9
175.04352	1.2
175.98569	0.8
177.00685	1.6
178.98611	3.5
180.06528	7.2
181.04926	8.0
182.03346	1.1
182.08119	1.7
187.02734	0.9
188.07628	1.6
189.00677	2.2
193.00203	11.0
193.01849	0.7
198.04616	0.8
198.07539	17.7
198.09311	1.2
198.18503	100.0
201.00705	1.5
207.01709	1.6
211.01230	1.5
216.01646	0.7
216.99954	0.8
219.01772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.4
63.21519	0.3
68.39860	0.3
71.15518	0.6
98.97565	0.7
101.00862	1.3
116.66294	0.3
116.98618	0.5
119.01923	4.3
120.95383	0.7
134.02946	0.4
137.02954	1.1
137.25635	0.4
138.96371	5.8
156.97461	77.3
157.97522	3.2
174.98523	100.0
175.98636	4.2
176.98889	0.6
179.99039	2.0
180.99156	0.4
198.00169	1.7
198.18533	0.6
198.98531	8.8
199.00148	0.5
199.18668	0.4
216.99567	28.7
217.99722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05027	10.6
56.96561	21.1
57.04549	5.9
57.07064	2.2
57.93561	2.6
69.03417	2.2
69.07059	2.3
70.54935	3.1
70.55312	3.4
71.04987	3.1
72.04495	2.6
74.09698	8.0
81.07042	2.2
85.02885	2.0
97.99175	1.7
98.97577	59.5
99.04455	3.6
99.05574	6.4
100.02473	7.2
100.07625	2.7
101.00871	9.1
111.04460	4.7
112.02419	1.8
115.02409	3.2
116.01949	14.1
116.97265	16.4
116.98606	52.8
118.03517	36.5
119.01913	54.1
120.02049	3.5
121.01674	4.8
130.03520	4.8
131.01947	2.1
131.99548	3.9
132.05096	4.1
133.03471	4.3
133.04515	2.0
134.01344	3.1
134.02983	100.0
134.99652	35.4
135.03139	3.3
136.04541	36.3
136.05499	2.8
137.02960	23.3
137.61714	1.7
139.02597	2.3
139.03558	2.9
140.00166	3.4
142.03490	6.3
152.04034	22.1
152.05917	3.2
152.96925	5.8
153.00710	8.4
157.03391	7.6
157.04611	22.0
158.01266	2.4
158.02966	9.4
158.51462	2.3
159.05058	2.2
160.04558	10.3
161.02997	4.1
171.05016	4.8
172.04597	7.6
174.06149	2.9
175.04184	6.2
175.05655	27.0
175.98566	9.8
176.02492	3.0
176.04066	30.3
176.05867	9.8
177.01021	8.2
178.05652	3.3
179.21069	1.6
181.04814	3.8
189.06036	3.1
190.05582	2.7
193.06754	9.6
194.05122	14.2
194.06973	5.1
199.04068	3.8
199.04669	2.9
199.05875	12.2
199.07368	2.9
199.18887	28.8
200.03999	2.7
217.05156	5.3
217.06787	8.8
217.08961	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	199.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89355	2.4
52.26155	2.0
53.03938	2.8
55.01863	19.8
55.05507	19.9
57.03431	3.8
57.07058	5.9
57.11509	1.8
57.92485	2.0
57.93245	2.1
59.04996	2.4
59.06101	3.3
65.03934	5.2
65.63879	1.8
67.05494	41.2
67.35700	1.8
69.03426	22.0
69.07052	9.2
69.56113	3.8
69.56525	11.8
71.04981	17.1
74.09704	18.7
79.05483	59.4
81.03413	2.7
81.07047	26.7
83.04972	32.7
83.08610	6.1
85.02891	2.9
85.06542	12.9
91.05463	22.5
93.07043	29.6
95.04350	3.6
95.04957	69.7
95.08597	8.1
97.06522	7.4
97.07642	3.1
98.97565	2.5
99.04432	9.8
100.07619	6.5
105.07010	14.6
107.04945	7.0
107.08582	64.1
109.06509	28.2
109.10107	3.3
111.04434	24.2
111.08082	4.0
115.03918	5.6
115.05438	9.3
116.97201	6.1
116.98648	2.6
117.07001	16.0
119.08556	5.6
121.06482	20.6
121.10139	13.9
123.04411	31.9
123.08038	4.2
125.05965	6.4
125.09641	11.6
128.06218	3.2
129.05464	19.8
129.06976	3.9
131.08562	3.7
135.08035	78.0
140.04630	4.6
140.08177	2.5
141.05449	100.0
141.09084	4.2
142.07784	2.8
143.04918	8.4
143.08551	5.9
145.06471	3.0
151.07474	2.8
153.05447	4.9
153.09085	23.0
154.08659	2.3
155.07034	2.7
157.10114	8.0
163.07529	80.1
167.10750	3.8
169.08629	2.5
171.04401	4.7
171.10242	3.2
171.11661	4.7
175.98535	3.9
181.05014	6.5
181.08568	41.5
199.03922	28.9
199.07970	3.9
199.09700	6.1
199.11269	4.7
199.13280	2.6
199.14909	5.0
199.18866	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0963
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
51.92263	2.3
53.03936	5.0
55.01867	11.0
55.05503	15.4
57.03436	11.7
57.07052	4.7
57.93570	2.8
58.06562	3.0
59.06107	4.4
63.77610	2.3
65.03931	3.3
67.05498	14.2
69.03419	39.7
69.07061	100.0
69.86751	4.8
69.87173	10.8
71.04979	4.7
72.04495	3.5
73.02890	4.9
74.09716	19.9
79.05486	42.4
81.07052	22.9
83.01328	7.4
83.04974	30.1
83.08613	5.4
84.08925	2.7
91.05474	24.4
93.07026	17.8
95.04960	34.8
95.08611	5.1
96.08143	2.3
97.06525	62.5
97.07588	3.1
97.10165	3.5
98.10535	2.7
99.04421	2.7
100.07617	6.1
101.02396	5.6
105.07029	9.0
107.04951	15.2
107.08578	55.8
109.06516	9.2
109.10160	12.6
109.10838	2.6
111.04447	19.3
111.08080	7.6
113.05951	3.5
115.05408	4.9
116.97226	11.4
116.98551	3.6
117.06990	7.7
119.08632	3.0
121.06507	17.5
121.07310	2.4
123.04444	6.5
123.08089	7.0
125.05989	59.2
125.09610	15.1
134.95895	2.4
135.08038	58.6
139.03854	6.8
139.07504	12.6
140.04710	4.2
140.08180	2.8
141.05452	4.3
143.07016	32.2
143.08549	3.6
149.05988	4.6
150.77863	2.1
152.96933	3.5
153.05524	2.9
153.07063	2.5
153.09106	24.6
154.08542	2.2
155.07133	2.2
155.08525	3.0
156.09341	3.5
157.10147	5.1
163.07538	25.3
167.07027	29.8
175.98538	8.6
181.04984	12.4
181.08536	11.5
199.03949	3.8
199.05980	5.5
199.07584	4.6
199.11208	3.2
199.14828	6.5
199.18872	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0962
Annotation	Gardendiol
Peak:m/z	Relative Intensity
50.89355	2.4
52.26155	2.0
53.03938	2.8
55.01863	19.8
55.05507	19.9
57.03431	3.8
57.07058	5.9
57.11509	1.8
57.92485	2.0
57.93245	2.1
59.04996	2.4
59.06101	3.3
65.03934	5.2
65.63879	1.8
67.05494	41.2
67.35700	1.8
69.03426	22.0
69.07052	9.2
69.56113	3.8
69.56525	11.8
71.04981	17.1
74.09704	18.7
79.05483	59.4
81.03413	2.7
81.07047	26.7
83.04972	32.7
83.08610	6.1
85.02891	2.9
85.06542	12.9
91.05463	22.5
93.07043	29.6
95.04350	3.6
95.04957	69.7
95.08597	8.1
97.06522	7.4
97.07642	3.1
98.97565	2.5
99.04432	9.8
100.07619	6.5
105.07010	14.6
107.04945	7.0
107.08582	64.1
109.06509	28.2
109.10107	3.3
111.04434	24.2
111.08082	4.0
115.03918	5.6
115.05438	9.3
116.97201	6.1
116.98648	2.6
117.07001	16.0
119.08556	5.6
121.06482	20.6
121.10139	13.9
123.04411	31.9
123.08038	4.2
125.05965	6.4
125.09641	11.6
128.06218	3.2
129.05464	19.8
129.06976	3.9
131.08562	3.7
135.08035	78.0
140.04630	4.6
140.08177	2.5
141.05449	100.0
141.09084	4.2
142.07784	2.8
143.04918	8.4
143.08551	5.9
145.06471	3.0
151.07474	2.8
153.05447	4.9
153.09085	23.0
154.08659	2.3
155.07034	2.7
157.10114	8.0
163.07529	80.1
167.10750	3.8
169.08629	2.5
171.04401	4.7
171.10242	3.2
171.11661	4.7
175.98535	3.9
181.05014	6.5
181.08568	41.5
199.03922	28.9
199.07970	3.9
199.09700	6.1
199.11269	4.7
199.13280	2.6
199.14909	5.0
199.18866	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01865	2.6
55.05504	14.2
56.96568	1.5
57.03431	2.2
57.07066	3.6
59.04976	1.8
65.03922	2.0
67.05489	5.8
69.03419	13.8
69.07061	35.0
70.07394	1.7
70.88624	2.8
70.88996	3.2
71.04985	4.5
74.09718	14.7
77.72829	1.4
79.05486	27.5
81.07044	59.9
81.07516	3.2
83.04984	2.0
83.08612	6.5
84.08949	2.3
85.06518	2.3
91.05469	8.6
93.07035	35.0
95.04974	5.6
95.08607	9.0
97.06531	9.0
97.10177	2.7
98.97591	3.5
100.07615	5.3
100.11254	5.0
105.03360	8.0
105.06355	3.2
105.07008	21.2
107.04893	1.4
107.08580	100.0
108.08907	3.7
109.06512	32.3
109.10155	6.8
111.04451	6.0
111.08126	2.9
111.11713	3.5
115.05437	2.4
116.97235	12.7
117.06985	2.2
119.08604	5.2
121.02866	9.1
121.06536	2.2
121.10136	22.4
123.08054	7.5
123.86252	1.3
125.09642	2.8
128.06253	4.9
129.06976	3.5
130.07758	1.7
131.99529	2.4
135.11676	49.1
137.09644	5.3
139.11169	29.8
140.04701	3.6
141.07034	2.5
142.07803	4.2
143.08519	8.5
145.10094	20.0
152.96967	3.6
153.12761	4.1
156.09392	4.9
157.10129	12.3
163.11159	64.4
164.11575	2.6
169.10196	1.8
170.10916	1.6
170.65718	1.5
171.11754	4.3
175.98465	7.6
181.04982	2.4
181.12225	34.4
199.03918	2.3
199.07698	6.1
199.11275	7.5
199.13254	2.2
199.14859	11.2
199.18909	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1326
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03954	2.0
55.05260	2.0
55.05506	25.2
57.07066	11.7
67.05511	4.4
68.04266	1.8
69.07046	7.4
70.07398	1.9
70.89783	5.0
74.09711	11.7
74.16339	1.7
79.05477	6.4
81.07036	6.9
83.04974	11.8
83.08604	5.0
84.08943	2.0
85.06531	4.1
91.05475	7.4
93.07023	10.1
95.04921	4.2
95.08586	11.0
97.06510	5.4
98.97570	3.5
100.07594	4.5
105.07003	18.4
107.08599	21.8
109.06483	4.1
109.10182	2.5
111.04430	100.0
111.08069	3.8
113.06012	2.8
116.97182	10.8
117.07049	3.0
119.08583	8.2
121.10140	2.5
125.05991	25.7
127.07524	3.9
128.06180	5.6
129.06978	6.4
129.17723	1.9
131.99550	2.3
135.08058	14.7
135.11703	15.5
139.07526	2.5
141.06979	5.1
142.07756	23.0
143.08540	24.1
145.10101	17.1
148.97603	2.7
149.88300	2.1
152.96918	4.3
153.12764	3.5
155.08521	11.1
156.09323	24.5
157.10114	57.8
163.11185	16.1
169.10112	8.4
170.10886	19.2
171.11664	41.5
175.98499	9.8
181.10645	2.9
181.12178	19.7
184.12500	10.6
199.07788	2.0
199.11093	2.6
199.14813	45.1
199.18869	54.8
208.62167	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	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.4
55.05497	5.2
56.05016	7.2
56.96559	68.9
57.03425	10.0
57.07056	2.8
58.06585	1.9
58.99855	2.9
61.02915	5.1
65.03935	5.6
65.91778	2.1
67.05503	9.4
68.05022	4.5
69.03415	11.1
69.07036	1.7
70.06569	7.0
70.11762	7.1
71.01329	2.1
71.04987	4.7
71.95244	4.5
72.08132	2.0
73.02907	14.6
74.09705	5.1
75.17623	2.1
77.00907	4.1
79.05472	2.6
80.04985	4.0
81.03384	3.9
81.07040	2.4
82.01421	2.8
82.06553	5.2
83.00732	2.1
83.04962	7.1
83.06065	2.5
83.07345	1.9
83.08630	1.9
84.04501	12.2
84.08121	6.3
84.96012	6.1
85.02902	15.3
86.06049	17.0
86.09696	2.1
87.04459	3.3
91.02393	2.0
91.05460	3.0
93.03370	4.6
93.06984	2.3
94.06562	2.5
95.04939	5.4
96.04472	2.3
96.08100	2.9
97.02875	12.8
97.99207	2.5
98.02390	2.7
98.06059	3.3
98.97575	100.0
99.04443	4.2
100.02476	10.5
101.00823	6.1
102.00979	2.3
109.02827	3.3
110.01287	9.6
110.06020	8.0
110.97535	5.7
111.04418	5.7
111.05537	2.8
112.03966	2.3
112.07591	2.6
113.00864	3.2
114.05524	8.7
114.06659	3.1
116.00220	3.9
116.01279	3.1
116.98608	99.0
118.03492	19.8
118.96749	3.9
119.01895	59.2
120.02003	8.4
120.03228	2.7
121.02820	3.6
122.06010	5.6
124.07587	1.8
126.05478	2.9
127.03901	8.0
128.02293	6.4
128.07048	2.8
128.98596	13.6
129.46939	1.9
130.03558	2.2
131.01874	46.7
133.01654	2.9
133.03430	5.4
134.01248	3.0
134.99644	96.4
136.04564	11.9
136.07559	14.0
137.01871	3.4
137.02934	27.3
137.05952	4.4
138.03056	3.6
138.05569	3.3
139.03909	4.0
140.00110	3.8
140.02325	3.6
140.03409	4.3
140.07037	7.8
141.06583	1.8
142.03448	2.5
144.99818	8.4
145.03427	3.5
146.02293	4.9
146.99626	9.8
147.03131	2.3
149.02942	27.9
151.04456	2.8
152.02213	3.2
153.00674	24.3
154.03481	27.0
154.04977	12.1
154.08601	2.4
154.09711	3.6
154.12236	16.2
154.96471	2.8
155.02759	3.8
156.05052	3.9
157.97516	3.4
158.01236	11.4
158.03052	2.2
158.04457	3.4
158.99612	8.8
160.04576	2.8
161.01204	6.4
161.02887	6.3
164.03448	2.5
164.07021	9.1
168.01416	7.3
170.03276	2.5
170.99614	3.4
172.04536	35.4
172.06018	11.8
173.02907	6.0
174.04333	3.0
174.06055	3.3
175.02661	2.8
175.98581	6.7
176.02289	8.8
176.04012	6.0
176.94455	2.2
176.98404	3.0
177.00691	22.4
177.02426	22.0
182.02980	6.7
182.04486	5.6
182.08089	7.1
183.08383	7.0
183.11214	2.2
189.00708	9.5
190.05565	19.9
191.03917	7.7
193.03821	3.7
195.01692	5.6
195.03471	11.0
199.18919	15.7
200.03990	32.6
200.05566	4.4
200.08884	14.7
200.12621	3.4
200.14249	2.8
200.19107	3.5
201.00684	5.2
201.02428	12.7
218.03265	3.3
218.05090	26.6
219.01703	7.4
219.03506	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0915
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
52.64235	2.2
53.03926	5.1
55.01856	2.3
55.05503	18.8
56.96544	7.1
61.02900	3.8
65.03934	22.4
67.05164	3.8
67.05495	49.2
68.04990	2.3
69.03416	3.3
70.06562	2.5
70.15380	9.4
73.02878	3.6
74.10459	1.9
75.59746	1.7
79.05478	15.4
80.04990	3.0
81.03384	3.6
81.07030	2.8
82.06557	4.1
83.04969	39.2
84.04489	2.7
85.02873	5.1
85.59905	2.3
87.33926	2.1
89.41243	1.9
91.05450	16.4
93.03389	23.6
93.05740	2.6
93.07033	15.6
94.06561	20.0
95.04954	28.7
96.04472	5.1
96.08101	4.7
97.02892	5.0
98.06051	3.1
98.97564	12.2
103.05473	3.7
105.03376	4.5
107.04958	2.2
108.08092	17.9
109.02910	3.0
109.05211	1.9
109.06511	2.5
110.01260	3.5
110.06033	35.9
110.97532	4.1
111.04418	27.6
112.07617	4.6
113.01796	2.6
116.98643	3.1
118.06477	7.1
119.01823	4.4
119.04969	9.2
120.08078	19.2
121.02844	16.4
121.06490	8.9
122.06017	43.1
123.04420	7.4
127.03883	3.4
127.06281	3.0
128.02286	2.8
129.87454	2.2
131.01790	2.3
134.05930	3.6
136.07556	88.6
137.05968	4.9
137.08282	4.3
138.05463	8.6
138.09099	16.8
139.03877	28.6
140.07040	68.2
145.04855	1.8
146.05966	2.7
147.04395	9.4
154.04967	2.3
154.08577	9.1
156.10199	4.5
157.04906	3.3
164.07039	75.8
165.05452	7.8
170.99596	2.0
173.54965	1.8
182.08096	43.7
183.06485	2.7
200.09148	100.0
200.12799	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	201.1119
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.45505	2.0
52.64680	2.1
55.01856	6.8
55.05496	6.4
56.96564	10.1
57.03422	3.8
67.05165	2.5
67.05499	41.1
69.03403	6.1
69.07053	5.0
69.25359	2.3
69.25605	8.8
69.26025	13.1
70.26517	2.0
71.04982	4.7
79.05475	7.0
81.07049	31.3
83.04929	2.6
85.02879	6.0
85.06544	3.0
87.85710	1.8
91.05464	8.9
93.07011	7.8
95.04965	3.4
95.08585	17.0
97.02859	2.8
98.97569	3.5
99.04422	6.4
99.08090	2.8
105.07006	12.5
107.08565	7.1
109.06477	3.7
109.10145	100.0
111.04414	1.8
114.05524	2.9
115.05418	2.8
117.06982	5.7
119.01790	3.5
119.08533	9.3
121.10133	2.1
125.06023	9.5
127.03896	4.6
128.02306	5.9
128.06194	4.1
129.07021	5.4
130.07747	3.2
131.08572	16.7
133.10077	3.9
137.09604	94.4
141.06956	7.0
142.07854	2.2
143.08511	10.5
144.09308	2.4
145.06485	3.8
145.10115	23.3
155.08524	7.4
155.10664	21.2
157.10114	4.6
158.10867	5.0
159.08014	4.7
159.11684	18.2
165.09108	20.3
169.06433	3.8
171.07982	2.6
172.08904	2.4
173.06113	2.5
173.09581	7.0
173.13251	22.3
183.10123	3.3
183.11613	3.0
186.06801	4.2
186.10396	10.0
186.11856	2.4
201.09077	22.3
201.10779	3.0
201.11107	2.2
201.12740	19.7
201.14314	2.7
201.14639	2.7
201.16319	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	201.1119
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
53.03939	1.4
55.01860	2.9
55.05497	4.7
56.96556	2.0
57.03423	2.7
57.07079	1.0
59.04993	0.7
60.40717	0.9
65.03923	1.4
67.05496	41.2
67.40070	0.9
69.03410	3.3
69.07061	4.8
69.60953	5.7
71.04986	2.1
79.05462	4.3
81.06564	1.7
81.07046	35.2
83.04978	1.6
85.02914	1.9
86.09695	1.4
91.05474	5.7
93.07032	7.5
95.04967	6.8
95.08598	14.4
97.02887	1.0
97.06510	1.6
98.21487	1.1
98.97578	2.3
99.04435	3.3
99.08091	3.8
100.33848	1.0
101.06017	0.9
102.82568	0.9
105.07018	4.3
107.04903	1.4
107.08581	3.0
109.06514	2.1
109.10141	100.0
110.10513	1.7
111.04411	6.0
113.05995	2.1
115.05452	1.7
115.54414	0.8
116.98608	1.6
117.07005	3.8
118.96741	1.7
119.08556	9.2
121.06525	1.1
121.10129	5.2
121.70939	0.8
123.04424	3.4
123.08046	0.8
125.05971	7.0
127.03916	3.0
128.02303	1.9
128.06192	1.8
129.06979	1.9
130.07729	1.7
131.08562	3.8
137.06003	1.7
137.09598	67.4
138.09956	1.2
141.05411	1.4
141.06963	4.3
142.07771	0.9
143.08536	2.4
145.06458	1.9
145.10117	7.5
146.99585	0.9
147.08023	7.4
155.08583	1.5
155.10651	13.1
157.10109	1.9
158.03561	1.2
158.07239	3.4
159.11687	5.5
165.09085	22.6
169.06491	1.6
170.07281	1.1
173.05983	2.5
173.09607	1.7
173.13223	3.1
177.98083	1.6
183.06613	1.7
183.08069	1.0
183.10123	2.0
186.06761	2.7
201.05606	4.0
201.09102	10.4
201.10791	1.4
201.12665	5.2
201.16319	7.2
219.01816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01853	2.9
55.05503	6.1
56.04995	0.9
57.03413	3.6
57.07059	1.3
62.52348	0.9
65.03925	0.9
66.19277	1.0
67.05500	39.7
69.03415	2.9
69.07045	3.0
70.40999	3.7
71.04980	2.6
79.05490	7.3
81.07053	37.0
83.66491	0.9
85.02923	1.1
88.18626	1.0
91.05469	5.8
93.07058	6.8
95.04963	6.9
95.08596	12.3
97.02876	1.8
97.06524	2.1
99.04435	3.8
99.08067	2.5
105.07009	4.1
107.04927	1.7
107.08584	4.3
109.06516	2.8
109.10149	100.0
110.10493	1.7
111.04453	8.4
113.05969	1.0
115.05411	2.2
117.07015	3.2
118.96787	1.4
119.08559	8.5
120.27679	1.0
121.10142	5.1
123.04399	3.0
125.05972	5.8
127.03907	3.9
128.06235	1.8
129.06989	2.4
131.08583	6.0
137.05986	2.3
137.09608	61.4
138.09947	1.6
141.05396	1.4
141.06953	2.9
143.08516	3.3
145.06450	3.3
145.10124	11.5
147.08038	8.6
153.06992	1.5
155.08553	5.4
155.10651	10.9
157.10063	1.5
158.03586	1.7
158.07295	2.0
158.10834	1.4
159.08060	2.3
159.11694	7.2
165.09117	24.8
169.06476	1.5
172.08842	1.4
173.05963	2.8
173.09625	3.9
173.13219	2.8
177.98099	1.3
183.08025	1.4
183.10136	2.6
183.11676	1.6
186.06717	2.1
186.10477	1.3
201.05540	4.7
201.09073	12.3
201.12753	7.5
201.16411	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.05179	0.6
53.03946	0.7
55.05496	1.7
56.96546	0.7
57.03427	1.0
65.03939	0.5
67.05490	7.5
69.03413	2.2
69.07042	1.1
70.91842	1.0
70.92200	1.3
71.01430	0.5
79.05481	3.7
81.03397	0.7
81.07045	6.5
85.06499	0.8
91.05466	9.7
93.07030	6.1
93.48956	0.6
95.04943	2.4
95.08595	2.0
98.97522	0.7
103.05477	0.9
105.07020	11.0
107.08585	1.8
109.06519	1.7
109.10135	6.9
111.04436	1.4
115.05439	2.3
116.06236	1.4
117.06995	5.9
119.08562	21.3
121.06490	2.6
121.10174	0.9
127.03893	1.4
128.02315	0.6
128.06201	5.0
129.06995	9.9
130.07813	3.6
131.08551	35.7
132.08893	0.9
133.10115	41.9
134.10471	1.2
137.09587	3.7
141.06990	2.9
142.07779	3.9
143.08540	37.1
144.05685	1.4
144.09337	7.6
145.06473	5.2
145.10101	33.0
146.07191	0.8
146.10460	0.7
147.08029	1.7
153.06961	2.6
155.07385	0.6
155.08542	3.6
155.10597	0.7
156.09344	3.0
157.06451	2.2
157.10094	5.6
158.07332	3.1
158.10893	47.4
159.08038	11.1
159.11678	11.5
160.08812	1.4
161.09596	1.4
165.09091	2.0
167.08653	0.8
168.09317	3.3
171.08031	11.8
171.11662	3.5
172.08810	12.9
172.12373	1.0
173.09653	13.7
173.13240	100.0
173.37067	0.7
174.13573	2.4
183.11642	5.0
185.09616	1.5
186.10381	42.4
187.10646	1.1
201.12724	76.1
201.16359	3.4
202.13063	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.68996	0.4
53.03936	0.5
54.15114	0.4
55.05508	1.0
56.25594	0.4
57.03412	0.5
60.48724	0.4
65.03916	0.5
67.05490	3.3
69.03415	1.5
69.07047	0.7
70.94841	0.9
71.03564	0.5
79.05489	2.4
81.07040	2.7
91.04945	0.7
91.05474	8.8
91.55657	0.4
93.07041	4.9
95.04961	1.4
95.08593	1.0
103.05451	0.8
104.44010	0.4
105.07013	10.6
107.08573	1.3
109.06493	1.7
115.05405	2.3
116.06203	1.3
117.07005	4.7
119.08564	19.7
120.08916	0.4
121.06518	2.7
127.03907	0.6
128.06195	4.1
129.06989	9.0
130.07788	2.9
131.08551	35.9
132.08907	0.9
133.10110	37.3
134.10466	0.6
135.08113	0.5
141.06967	1.8
142.07771	3.8
143.08545	33.3
144.05695	0.9
144.09332	8.4
145.06477	3.7
145.10103	30.9
146.07198	0.7
146.10474	0.5
147.08017	0.6
153.07018	2.4
155.05923	0.7
155.08542	3.0
156.09319	2.3
157.06435	1.6
157.10118	5.2
158.07298	3.4
158.10890	41.5
159.06781	0.8
159.08037	11.1
159.11681	9.9
160.08823	0.9
161.09605	1.1
168.09349	2.9
171.06609	0.7
171.08038	11.1
171.11624	2.8
172.08812	12.4
172.12346	0.5
173.09651	12.7
173.13239	100.0
174.13556	2.1
183.11697	3.7
185.09598	2.1
186.10379	41.4
187.10675	1.4
201.12720	74.1
201.16316	3.7
202.12967	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	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03941	1.4
55.05503	3.1
57.03424	0.8
57.07066	7.7
59.28325	0.6
65.03957	0.8
67.05499	7.8
69.07063	8.2
70.74453	1.8
71.08617	1.8
78.25550	0.8
79.05479	8.9
81.07050	13.4
83.08611	1.8
91.05470	14.3
93.07038	14.9
95.04987	1.7
95.08600	14.7
99.53777	0.8
103.05474	1.4
103.71603	0.7
105.04482	0.7
105.07016	28.5
106.32447	0.8
107.08578	21.2
109.06503	1.1
109.10136	4.0
114.95707	0.7
115.05405	2.0
116.06206	1.5
117.07001	15.7
118.96744	1.9
119.08567	20.5
121.10128	8.2
122.48320	0.6
127.03912	1.5
128.06209	1.4
129.06998	5.8
130.07747	8.3
130.08624	1.0
131.08554	41.3
132.09238	0.7
132.96663	1.6
133.10110	9.8
137.05951	2.3
141.05566	0.8
142.07727	1.5
143.08537	9.3
144.09331	7.7
145.10106	100.0
146.10704	2.6
147.11667	1.5
155.08475	1.9
157.10135	7.2
158.10886	5.0
159.11673	59.9
160.12213	1.7
165.05354	0.7
171.11671	8.7
172.12447	2.8
173.13237	22.6
177.98012	1.4
183.08270	0.8
186.14001	5.7
192.50923	0.8
199.14879	0.9
201.09088	2.2
201.12685	3.3
201.16359	97.6
202.16707	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	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36984	2.0
69.93967	15.3
70.44977	2.2
77.84331	2.1
79.95758	2.3
82.01440	10.1
90.52412	2.9
98.97569	9.6
100.02477	49.5
101.00868	12.9
116.98615	6.1
118.03519	32.2
119.01910	100.0
120.02009	8.0
121.01622	4.2
124.02483	2.9
131.01816	2.4
134.99696	5.0
137.02945	45.7
142.03494	47.3
143.03601	3.7
160.04543	40.0
161.02931	23.3
161.04208	3.3
161.04710	2.8
165.05128	2.6
177.00896	4.2
178.01007	6.8
178.05603	5.8
179.00688	5.7
179.04015	47.1
179.05560	3.4
179.98082	11.9
184.04524	3.1
190.49452	3.9
197.99164	45.8
199.50034	12.3
200.00089	6.0
202.05598	5.7
220.02008	16.3
221.01582	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	203.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.0
55.01854	11.9
55.05502	34.3
56.05024	4.9
57.03427	5.9
57.07067	7.4
59.04968	3.2
59.14045	2.4
60.04519	40.5
61.02909	4.3
67.05165	3.5
67.05502	36.6
68.05016	24.4
69.03414	18.7
69.07058	15.3
71.04987	59.7
71.52247	3.5
71.52644	4.5
72.04501	3.6
72.08144	2.8
73.02906	3.2
79.05486	66.3
81.03412	4.5
81.07049	61.3
83.04971	20.0
83.08613	3.7
84.04492	27.4
85.02900	14.3
85.06532	100.0
85.84325	2.5
91.05472	29.0
93.07030	39.8
95.04951	5.1
95.08601	25.5
96.03888	4.1
96.04485	44.2
97.02876	45.7
97.06507	12.4
97.10162	20.0
98.06048	5.4
99.04421	5.0
99.08073	17.2
101.05942	2.8
103.05474	3.4
105.03338	2.8
105.07025	44.2
107.04948	9.5
107.08586	81.6
109.02879	3.9
109.06490	4.2
109.10138	5.0
110.06034	7.1
111.04421	10.8
113.06039	3.9
114.05518	36.8
115.05455	6.1
117.05552	2.5
117.07027	3.5
119.04926	8.1
119.08560	20.2
121.06477	5.2
121.10130	63.2
123.08079	7.7
125.05972	4.8
125.09613	51.5
126.05515	29.3
127.03925	5.5
128.06210	3.6
129.05429	12.5
129.06981	9.8
130.06535	3.9
131.04910	5.6
131.08531	22.0
132.67078	2.5
133.10110	11.5
137.09621	4.0
138.05463	8.0
139.11169	13.2
139.15189	2.3
142.07738	7.0
143.08559	5.0
143.10660	74.5
144.06519	3.6
145.06401	3.7
145.10112	7.4
147.04407	32.9
147.08051	6.3
147.11664	11.0
148.04718	8.1
149.09601	24.3
157.06508	5.9
157.10072	14.2
159.07997	4.1
159.11668	3.4
160.08810	4.0
161.05969	9.2
161.09566	5.4
161.13330	4.8
162.05540	3.4
167.10654	30.2
168.06598	7.1
170.10944	2.8
175.03909	9.9
175.05891	6.1
175.07518	12.1
175.11192	8.6
185.05978	5.0
185.09731	5.2
185.11693	24.4
185.13213	5.2
186.07523	3.6
188.08192	3.6
203.03586	20.9
203.05238	14.4
203.06808	27.0
203.10527	17.8
203.14207	12.8
203.17921	12.1
204.06610	9.1
204.08653	30.5
204.10397	3.4
204.13834	8.2
206.40211	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	203.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01139	3.0
53.03936	5.9
54.28201	2.5
55.01852	8.9
55.05506	35.4
57.03405	7.9
57.07069	4.7
57.39977	2.7
60.04520	36.2
61.02928	4.6
67.05495	35.9
68.05026	16.9
69.03427	19.6
69.07054	14.3
71.04984	54.7
71.08436	7.4
75.91377	3.0
79.05040	5.3
79.05486	68.1
81.07056	56.8
83.04970	14.9
83.08606	3.6
84.04498	24.3
85.02884	8.6
85.06533	100.0
87.04460	3.5
91.05473	24.3
93.07035	42.0
95.04947	4.6
95.08625	17.3
95.09120	3.7
96.04491	30.1
97.02888	40.5
97.06507	12.4
97.10157	7.7
98.06021	4.5
99.08081	11.9
101.05997	3.3
105.07022	35.6
107.04977	8.0
107.08583	63.5
109.06512	5.4
110.06011	8.4
111.04419	4.9
113.33358	3.3
114.05527	22.4
115.05412	3.8
116.98596	3.6
117.07029	4.8
119.04940	6.8
119.08585	21.4
121.06475	6.6
121.10124	47.7
123.08046	8.0
125.05988	4.2
125.09615	44.1
125.42169	3.1
126.05496	29.3
127.03951	3.6
128.06178	3.4
129.05437	12.0
129.06982	10.3
131.04866	3.6
131.08557	24.0
133.10132	8.2
135.03899	4.8
138.05502	7.0
139.11200	15.8
141.06982	4.2
142.07748	11.7
143.10670	75.7
144.06610	3.1
145.06432	6.0
145.10051	6.0
147.04396	27.8
147.08049	9.1
147.11693	9.2
149.09557	21.3
155.08582	3.7
157.06444	7.6
157.10097	11.1
159.04433	3.6
160.05162	6.5
160.08812	6.1
161.05940	5.9
161.09595	13.1
167.10669	28.1
168.06497	5.9
173.09572	3.4
175.03908	4.3
175.06004	4.8
175.07423	15.6
175.11156	9.7
185.06104	3.9
185.09705	5.9
185.11723	20.1
185.13141	4.8
186.07524	4.2
203.03438	23.4
203.05234	8.0
203.06798	25.0
203.10606	16.3
203.14249	8.6
203.17946	6.8
204.06837	5.5
204.08635	21.5
204.13817	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03909	1.1
55.05503	9.8
57.07051	3.4
67.05157	1.9
67.05495	24.0
69.07056	13.7
70.79060	2.8
72.32094	1.0
78.60813	1.3
79.05489	10.3
81.07047	49.2
82.07367	1.1
83.08602	4.5
83.97221	1.1
91.05476	16.2
93.07030	22.1
95.04939	1.0
95.08597	68.9
97.02864	1.7
105.07019	85.0
107.08576	37.1
109.10144	43.3
117.07005	2.9
119.08565	50.6
121.10140	19.9
123.11696	10.3
126.05481	1.4
131.08553	3.7
133.09106	2.0
133.10112	42.6
135.11679	5.5
145.10121	5.5
147.11670	78.8
148.12038	1.8
159.11696	3.3
160.12428	4.3
161.13254	23.8
173.13196	1.2
174.14047	1.3
175.14842	10.4
203.17935	100.0
204.18263	2.6
221.46281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05505	7.5
57.07063	2.2
61.17445	0.7
67.05502	8.3
69.07063	6.0
70.05679	0.7
71.08617	1.1
71.42377	0.8
71.42695	1.2
72.05046	0.8
78.98321	0.7
79.05477	4.7
80.40025	0.9
81.07050	15.2
83.08606	2.7
84.04494	1.2
91.05475	9.7
93.07027	8.1
95.04958	0.8
95.07970	1.2
95.08595	32.6
105.07016	65.9
105.67545	0.8
107.08584	15.1
109.10134	14.8
115.05489	0.8
117.06991	1.6
117.19377	0.8
119.08565	44.9
121.10130	10.6
123.11687	3.9
126.05475	0.9
131.08534	6.2
131.33728	0.7
133.10110	31.9
135.11647	2.4
145.10098	7.0
146.10834	1.4
147.11667	100.0
148.12041	2.1
159.11674	1.7
160.12497	4.8
161.13235	12.3
174.14029	1.0
175.14783	3.4
188.10710	1.2
189.11519	1.9
203.17932	64.2
204.08557	1.2
204.13815	9.1
204.18268	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	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	2.5
55.05504	11.0
57.07067	5.2
60.04510	4.8
65.03912	1.3
67.05166	1.3
67.05497	16.0
68.05014	3.4
69.06709	1.3
69.07054	12.0
70.06576	0.8
71.08613	1.4
71.26669	1.9
76.01440	1.0
79.05492	9.2
81.07049	32.8
83.08598	6.4
84.04491	9.3
85.02888	1.3
91.04903	0.8
91.05468	16.9
93.07037	19.8
95.08593	61.7
96.04485	6.1
96.08934	1.5
97.02872	6.9
97.10164	1.5
98.06046	1.7
105.07019	75.1
106.07330	1.1
107.08584	23.0
109.06486	1.2
109.10143	35.4
110.06052	2.1
114.05511	4.0
115.62680	0.9
117.07014	3.1
118.07759	1.1
119.08565	65.0
120.08891	0.9
121.10130	28.2
123.11715	8.6
126.05496	11.1
131.08551	6.8
133.10115	52.2
134.10425	1.5
134.32846	0.9
135.11659	4.5
138.05495	1.5
144.06520	1.5
145.10114	8.8
146.10957	1.4
147.04474	1.0
147.11670	100.0
148.12042	1.5
151.57800	0.8
159.11693	4.3
160.12502	5.7
161.13245	22.4
168.06509	1.1
174.14023	1.5
175.14833	11.2
175.18810	1.2
185.13278	1.4
186.07587	1.4
188.15579	1.3
203.03439	1.5
203.07008	1.2
203.17934	95.7
204.08647	6.2
204.13806	3.1
204.18330	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.97254	0.7
55.05508	5.6
57.07064	1.2
60.04508	3.3
67.05165	1.4
67.05498	21.6
68.05007	2.6
69.07059	8.8
70.25068	0.7
79.05478	9.3
81.06568	1.8
81.07050	35.4
83.08601	2.0
84.04501	6.5
85.02898	1.4
91.05469	15.9
93.07030	20.3
95.08595	64.6
96.04480	5.1
96.08942	0.9
97.02864	8.1
98.20756	1.8
99.04413	1.1
101.23550	0.9
105.07020	40.3
107.07851	1.8
107.08579	36.7
109.10145	38.8
110.06036	1.0
114.05518	4.4
119.08570	29.9
121.09303	1.4
121.10131	20.3
123.11704	5.4
126.05498	7.2
131.08534	1.6
133.10118	27.7
135.11674	4.1
138.05504	1.5
143.08594	1.2
144.06534	1.4
145.10106	2.9
147.11665	57.4
148.12056	1.1
150.81714	0.9
157.10115	0.9
159.11681	1.9
160.12387	1.1
161.13261	13.0
168.06514	1.3
175.14818	7.7
186.07622	1.3
203.10658	1.5
203.14130	2.6
203.17932	100.0
204.08662	4.2
204.13838	2.1
204.18269	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03932	1.7
55.05503	10.4
57.07052	6.0
67.05492	17.0
69.07056	14.2
69.28835	3.1
69.29251	9.3
77.80876	1.1
78.29012	1.2
79.05470	4.9
81.07043	25.2
83.08598	5.2
83.31197	1.1
89.28970	1.2
91.05460	15.6
93.07035	14.7
95.08588	48.9
97.10102	1.7
98.21524	2.3
102.79821	1.0
105.07014	100.0
107.08569	13.8
109.10131	32.2
117.07007	2.7
119.08563	64.1
121.10117	13.5
123.10802	1.7
123.11687	23.2
131.08540	4.3
133.10109	31.5
134.65463	1.2
135.11662	3.2
138.09140	1.2
145.10115	6.7
147.11664	78.3
159.11671	2.5
160.12425	1.8
161.13216	17.8
173.13377	1.3
174.14069	1.2
175.14793	4.6
188.15503	1.4
200.44698	1.1
203.17923	84.1
204.18202	2.0
224.61290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05503	8.4
57.07049	5.6
67.05492	22.4
69.07057	11.2
69.44164	9.8
69.44563	2.3
78.85667	1.2
79.05499	10.7
79.63474	1.3
79.89134	1.7
81.06564	2.3
81.07047	46.4
81.83434	1.2
83.08603	4.5
85.47556	1.2
91.05472	15.0
93.07027	24.0
95.08596	79.8
96.35358	1.4
105.07019	73.9
107.08578	35.8
109.10140	36.5
117.07062	1.9
119.08566	62.8
121.10131	30.4
123.11658	6.2
131.08548	5.0
133.10114	48.0
135.11696	4.3
145.10056	6.6
145.70514	1.5
147.11670	92.9
148.12024	1.5
155.17148	1.4
157.99591	1.5
159.11699	2.3
160.12431	3.8
161.13252	22.6
175.14827	10.6
188.15491	1.6
203.17937	100.0
204.18187	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.07990	0.5
53.03941	0.7
55.05502	5.9
57.07059	2.2
59.13119	0.5
67.05497	7.8
69.07058	15.6
70.69368	1.7
79.05486	8.0
81.07044	77.4
82.07387	1.0
83.08615	4.2
91.05463	8.7
93.07031	10.1
95.04934	0.6
95.08591	31.7
97.10159	0.9
103.05392	0.6
105.07014	49.1
106.07365	0.9
107.08577	10.7
109.10139	17.7
117.07000	1.7
118.07806	0.7
119.08561	33.4
121.09271	1.0
121.10115	11.1
123.11697	4.4
131.08563	3.3
132.09308	0.9
133.10112	25.3
135.11668	5.2
137.63066	0.5
145.10095	9.5
146.10797	1.3
147.11664	100.0
148.12061	2.2
159.11633	2.5
160.12465	6.2
161.13235	14.4
175.14760	1.6
203.17926	55.2
204.18205	1.6
220.83292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03922	1.9
55.05507	9.1
57.07074	2.5
60.51314	1.1
67.05502	9.4
67.46880	1.1
69.07056	8.1
69.28576	1.3
69.29201	8.8
79.05483	10.9
81.07045	100.0
82.07351	1.4
83.08598	4.4
86.88041	1.1
87.08295	1.0
89.33079	1.0
91.05458	7.4
93.07030	8.6
95.08592	34.9
97.10153	2.5
105.07014	40.2
107.08582	20.0
109.10145	20.5
117.06958	2.6
119.08565	33.0
121.10118	15.7
123.11692	4.9
131.08522	2.0
133.10115	50.5
135.11670	4.0
135.46779	1.1
145.10136	7.0
147.11661	43.9
148.81810	1.0
159.11681	3.7
160.12451	10.9
161.13234	13.6
174.14053	4.0
175.14783	12.2
203.17943	47.9
204.18245	2.1
214.47888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03935	1.1
55.05509	6.8
57.07057	2.3
60.04513	4.4
65.98829	0.7
67.05494	9.7
67.69930	0.7
68.05037	4.3
69.03429	0.9
69.07059	17.0
69.07428	0.7
71.45322	1.2
79.05472	9.3
81.03413	1.2
81.07045	79.5
82.07392	1.0
83.08616	5.3
84.04491	11.6
85.02888	1.7
91.05470	10.5
93.07024	10.1
95.08593	33.4
96.04498	6.8
97.02880	9.1
97.10162	0.8
98.06048	1.5
105.07014	49.9
106.07304	0.9
107.08570	13.3
109.10134	17.3
110.05995	2.4
114.05514	8.6
117.07008	2.2
118.07726	0.9
119.08565	42.1
121.09296	1.4
121.10126	16.2
123.11687	5.8
126.05499	16.9
127.03884	1.2
128.87653	0.9
131.08524	4.6
132.09334	1.1
133.10110	34.1
135.11665	5.6
138.05475	2.0
144.06534	2.3
145.04904	0.9
145.10118	12.0
146.10889	0.9
147.11665	100.0
148.12086	1.0
157.10014	1.0
159.11691	3.0
160.12477	8.1
161.13234	17.5
168.06514	2.1
174.13983	1.5
175.14763	2.0
186.07599	2.0
188.15633	0.8
203.10628	1.4
203.17931	68.0
204.08627	7.4
204.13805	3.6
204.18254	2.0
205.27635	0.8
213.20145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.98236	0.5
53.03939	1.0
53.36986	0.6
55.05508	6.7
57.07060	1.7
60.04523	1.2
61.02936	0.7
63.27563	0.6
65.03916	0.9
67.05503	9.3
68.05011	1.8
69.07059	17.7
79.05480	8.0
81.07046	77.2
82.07381	1.3
83.04973	0.6
83.08609	4.9
84.04485	6.7
85.02901	0.7
91.05462	8.6
93.07027	11.4
95.08593	28.5
96.04467	3.5
96.08932	0.9
97.02867	3.2
97.10159	0.7
105.07016	47.5
107.08576	11.2
109.02835	0.7
109.09431	1.2
109.10141	18.7
110.38357	0.5
114.05492	4.1
117.06989	1.7
118.07788	1.0
119.08568	39.8
121.10126	11.2
123.11723	4.8
126.05487	6.1
131.08519	3.5
132.09364	0.9
133.10117	22.9
135.11687	5.0
137.02345	0.6
144.06505	1.3
145.04878	0.6
145.10109	8.5
146.10963	0.8
147.04376	0.8
147.11668	100.0
148.12025	2.0
159.11678	3.4
160.12466	6.4
161.13242	14.8
162.13641	0.6
171.01392	2.2
174.14075	0.6
175.14827	1.5
203.10718	1.0
203.17932	68.0
204.06998	0.6
204.08556	2.9
204.13928	1.6
204.18198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03936	2.2
55.05498	8.9
57.07049	4.7
60.04499	2.7
67.05496	17.5
68.05021	1.4
69.07056	17.9
69.45610	1.8
69.46011	10.2
79.05471	8.2
81.07045	66.1
82.31087	1.2
83.08592	6.8
84.04473	5.7
91.04943	1.9
91.05470	17.2
93.07026	19.8
95.08591	48.0
96.04476	3.1
96.08942	1.5
97.02880	5.2
97.10142	2.3
97.93807	1.3
105.07016	62.3
107.08575	25.4
109.10139	32.5
112.35970	1.2
114.05518	2.3
115.05464	1.2
117.06979	3.0
119.08563	56.0
121.10132	16.5
123.11701	8.5
126.05526	6.6
131.08527	6.7
133.10115	51.8
133.10916	1.1
135.11679	6.9
144.06508	2.4
145.10104	12.3
147.11667	97.1
148.11890	1.5
159.11661	4.9
160.12474	9.7
161.13246	27.5
173.09453	1.2
175.14767	5.3
179.54572	1.2
185.87141	1.3
192.36717	1.4
203.17926	100.0
204.08652	3.3
204.13773	2.4
204.18321	3.5
218.50555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02370	0.3
53.03938	2.0
55.05507	0.7
57.07071	1.2
60.04510	0.4
65.03928	0.6
69.03422	1.0
69.07059	0.3
69.53175	2.1
77.03893	0.3
79.05468	0.7
81.03401	0.9
81.07042	0.4
83.04967	0.7
84.04466	0.3
85.02897	0.4
85.04848	0.3
91.05470	11.9
93.07034	48.5
94.07340	0.4
95.04962	3.5
95.08556	0.3
97.02888	1.2
97.04823	0.3
99.04436	0.4
103.05458	0.3
105.04503	0.6
105.07013	2.6
107.08583	1.0
109.02807	0.7
109.06489	0.6
111.04401	0.4
115.05421	0.6
117.07018	1.5
119.08556	2.4
121.06490	100.0
121.10098	0.8
122.06812	1.2
123.08060	0.4
127.03866	0.3
127.05895	0.4
129.07007	1.6
130.07764	0.5
131.08565	2.1
133.10126	0.7
135.04434	0.5
135.08046	1.2
135.11707	0.7
139.15170	0.3
141.06947	0.4
143.08585	0.3
144.09319	3.2
145.06442	0.7
145.10109	2.0
147.08008	0.6
147.11626	0.5
149.02324	6.8
149.06049	0.3
149.09579	0.5
149.13197	0.4
157.10097	0.3
159.08092	1.3
159.10403	0.5
159.11679	7.8
161.09630	0.7
163.11162	3.3
163.70593	0.3
172.08836	1.3
177.09093	0.3
177.12718	2.3
187.07491	0.4
187.11156	6.2
191.64578	0.3
205.04892	0.5
205.08749	1.7
205.12210	22.1
206.12672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05227	1.4
55.05502	28.1
57.07067	12.9
65.50539	1.2
67.05496	23.3
69.07056	51.2
73.81832	1.1
79.05061	1.6
79.05484	19.6
81.07044	70.2
82.07375	1.7
83.08604	22.5
91.05463	9.4
93.07031	72.6
95.04935	1.2
95.08592	61.9
97.02886	1.5
97.10166	17.8
101.33648	1.1
105.07013	8.9
107.08575	80.6
108.08907	2.2
109.06512	2.0
109.10139	63.8
110.10468	1.7
111.11714	6.2
119.08553	2.6
120.12060	1.2
121.02801	1.2
121.10125	100.0
122.10480	2.2
123.08015	1.6
123.11691	29.8
130.50601	1.3
135.11667	59.2
136.11992	1.3
137.13249	3.0
144.16658	1.1
147.11595	1.4
149.02324	8.1
149.13235	87.6
150.13602	2.7
160.08652	1.2
161.13245	1.7
163.14825	12.4
177.16426	1.6
205.14134	2.5
205.19495	60.8
206.19824	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03931	4.4
55.05505	28.5
57.07076	10.6
67.05493	18.8
69.06705	4.0
69.07058	41.1
71.08630	2.7
71.33879	3.5
71.34229	2.8
77.81406	2.1
79.05490	18.5
81.07047	58.8
83.08603	26.6
91.05474	9.5
93.07030	69.6
95.04959	3.7
95.08593	59.1
97.02875	3.3
97.10165	16.2
105.07021	7.7
107.00912	2.1
107.08578	81.0
108.55270	2.1
109.10143	55.8
111.11713	5.1
119.08578	4.6
121.10128	100.0
122.10513	2.6
123.11700	32.2
127.88628	2.0
130.60805	2.2
135.11668	65.4
136.49719	2.2
149.02319	4.2
149.13232	91.7
163.14819	11.7
205.19502	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03934	1.8
55.05504	12.3
57.07075	4.4
65.03928	1.8
67.05496	12.1
69.07056	22.5
69.84647	4.3
71.08619	1.5
79.05479	14.1
81.07046	58.6
82.07375	1.8
83.08616	6.8
85.04838	1.3
91.05462	7.7
91.40235	0.8
93.07030	55.8
94.07390	1.0
95.04950	2.2
95.08592	28.5
96.08926	1.0
97.02882	2.4
97.10164	4.4
105.07012	5.7
107.07853	1.9
107.08582	38.9
109.10139	23.0
111.11696	2.5
119.08610	2.2
121.02839	0.9
121.10127	100.0
122.10440	2.7
123.08074	0.8
123.11691	17.8
127.05869	1.4
135.11670	23.0
137.13203	1.3
149.02332	10.6
149.13240	44.3
159.74695	0.9
163.14771	4.2
196.59108	1.0
205.15961	1.4
205.19510	18.9
212.74095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05506	8.4
57.07057	3.3
67.05496	8.4
69.07063	15.1
70.61016	2.5
70.61378	2.8
79.05479	11.0
79.85475	1.2
81.07050	48.3
83.08597	5.0
85.04830	1.1
91.05463	6.0
91.45903	1.1
93.07034	45.3
95.08028	1.9
95.08599	25.1
97.10163	6.3
104.49834	1.2
105.07008	3.9
107.08582	29.2
109.10135	16.8
119.08618	1.5
121.10133	100.0
122.10413	2.6
123.08011	1.3
123.11720	8.2
135.11681	18.0
137.13168	1.7
149.02315	2.3
149.13246	35.4
163.14833	3.5
174.93652	1.1
198.77440	1.3
205.19536	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	205.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.05503	10.2
57.07064	3.4
65.03918	0.6
67.05492	9.7
69.07059	17.9
69.44762	4.2
69.45110	0.6
71.08627	1.2
79.05483	14.0
81.07047	55.3
83.08604	4.5
89.87393	0.5
91.05467	5.7
93.07033	49.6
94.07368	1.5
95.04939	0.9
95.08595	27.2
97.10155	5.0
98.20717	0.9
105.07011	5.1
107.08581	33.5
109.06520	1.0
109.10139	19.6
110.10484	0.6
111.11696	1.4
119.08578	1.0
119.42318	0.5
121.02836	0.6
121.10126	100.0
122.10466	1.7
123.08087	1.0
123.11693	8.8
135.11674	17.5
137.13255	0.8
149.02333	3.8
149.13242	36.8
150.13618	0.9
163.14830	3.2
205.19502	18.0
205.21422	0.9
208.71803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.65767	0.8
53.03928	1.3
53.45678	0.8
55.05254	1.0
55.05499	12.6
57.07065	7.9
65.03884	0.9
67.05495	11.6
68.88697	1.1
69.07060	29.9
69.29076	2.0
69.29475	7.9
71.08617	1.7
77.69823	0.9
79.05481	15.6
81.07046	56.8
83.08604	9.9
91.05467	7.3
93.07029	55.7
95.04933	2.3
95.08595	39.4
97.10150	8.0
105.06990	5.7
107.08578	44.7
109.10139	32.8
109.10886	1.9
111.11706	4.8
119.08548	1.4
121.10126	100.0
122.10470	1.8
123.11689	16.7
135.10654	1.8
135.11673	31.1
136.12021	1.1
137.13182	1.3
149.02313	3.8
149.13237	56.3
163.14821	6.5
205.19481	34.3
206.19771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
51.13731	0.7
51.72329	0.9
53.03926	1.8
55.05505	8.3
57.07059	3.6
60.92381	0.8
67.05504	7.2
69.06706	1.1
69.07060	15.5
69.35289	3.1
69.35709	5.0
71.08617	0.9
73.16689	0.7
79.05480	9.3
79.12677	0.9
81.07049	52.8
83.08597	4.7
91.05468	5.9
93.07034	46.1
94.07348	1.1
95.04976	1.3
95.08596	23.4
97.10150	3.8
105.07018	3.8
107.08582	26.5
109.09428	1.6
109.10146	20.5
111.11737	1.4
113.28116	0.8
121.10132	100.0
122.10455	1.5
123.11700	9.4
129.55598	0.8
135.11684	19.4
143.83536	0.9
149.02336	3.1
149.13240	38.6
163.14784	3.6
198.83577	0.8
205.19519	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	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03946	1.1
53.69669	0.8
55.05504	8.5
55.72234	0.9
57.07055	4.2
57.21997	1.0
58.89090	0.8
65.03920	1.4
67.05488	8.4
69.07061	15.9
70.69508	2.9
79.05482	14.3
81.07048	52.9
83.08611	5.3
83.09035	0.8
91.05460	6.7
93.07034	46.4
95.04936	1.4
95.08598	23.3
97.02859	1.4
97.10174	4.5
105.07014	4.7
105.50600	0.9
107.08582	29.4
109.10144	17.0
111.11722	2.2
121.02858	1.7
121.10128	100.0
122.10448	2.0
123.11697	8.6
127.05831	1.4
129.18979	1.1
135.11665	16.2
149.02312	9.1
149.13234	36.2
163.14799	4.1
193.34058	1.0
205.19505	14.9
215.08734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03936	1.9
55.05505	9.3
57.07070	6.1
60.04528	0.8
65.03931	2.7
67.05496	10.9
68.05018	1.5
69.03422	1.2
69.07061	16.9
69.59033	5.1
70.06557	0.6
71.04958	0.8
71.08617	1.0
79.05486	13.8
80.74020	0.7
81.03401	1.8
81.07047	57.7
82.07373	0.8
83.08608	5.3
84.04496	1.5
85.02885	2.1
85.04807	1.7
91.05470	10.2
93.07036	54.5
95.04971	1.9
95.08596	25.3
95.09214	0.9
97.02880	5.3
97.04826	1.2
97.10160	4.5
97.22019	0.6
98.03210	1.0
103.05480	1.0
105.07021	6.8
107.08585	31.1
109.02874	1.9
109.06528	1.1
109.10146	20.0
110.07125	0.7
111.11689	1.3
115.05886	1.1
117.06989	0.8
117.45872	0.7
119.08572	1.5
121.02843	2.5
121.03795	0.6
121.06522	1.6
121.10129	100.0
122.07160	1.8
122.10464	1.4
123.10896	1.0
123.11702	10.4
126.05499	1.5
127.03920	1.0
127.05846	1.6
131.08546	1.3
131.97446	0.8
133.07614	0.7
133.10063	0.8
135.11676	19.6
137.13266	1.4
145.06500	0.7
145.10110	2.2
147.11716	0.8
149.02328	19.6
149.05928	1.1
149.09607	0.7
149.13245	33.3
150.02594	0.8
150.13570	1.2
158.70453	0.6
159.11630	1.2
163.09825	0.9
163.11177	0.6
163.14793	4.0
164.09267	0.9
177.05548	0.7
177.12755	1.2
181.03101	0.6
184.14670	0.6
187.11172	0.7
205.04788	1.0
205.08659	4.2
205.12181	4.7
205.14252	2.0
205.15991	1.1
205.19485	15.5
206.13960	0.8
206.19989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0444
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
53.03941	0.4
56.96556	0.7
57.07074	0.4
61.13493	0.4
65.03938	0.6
68.05025	0.5
69.03452	0.4
71.53306	0.6
73.27558	0.3
79.05488	0.4
80.04993	0.4
81.03416	0.8
85.02896	0.5
89.03918	0.4
91.05472	0.9
93.07029	0.6
94.06573	0.4
95.04948	0.4
95.06060	0.6
96.04507	0.8
97.02885	0.5
104.04987	1.4
105.07045	0.5
105.47842	0.3
108.04456	0.6
109.02944	0.4
111.04453	0.4
114.05487	0.4
115.05435	0.5
117.03336	0.4
118.06531	0.5
119.04919	0.4
120.04472	1.4
121.02811	0.4
121.78145	0.4
122.07135	0.8
123.09075	0.4
132.04434	27.9
133.02826	0.6
135.04398	0.8
136.03899	0.5
136.05693	0.4
138.05760	0.4
143.04851	0.6
145.02878	0.6
145.06499	0.6
146.02357	1.2
146.05893	0.5
147.04372	0.6
149.02336	1.2
150.02652	2.0
160.03894	1.9
160.07588	0.6
161.01129	0.5
161.05963	1.2
162.05527	1.3
163.03859	2.8
163.06223	0.6
164.03409	0.5
178.04965	100.0
179.05296	1.4
188.03401	0.8
188.07039	1.7
190.04979	1.6
191.14259	1.4
206.04451	52.6
206.08096	4.6
207.02867	0.8
207.04752	1.2
207.06490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.081
Annotation	Doryphornine
Peak:m/z	Relative Intensity
55.01843	0.4
57.07042	0.5
60.85600	0.4
64.38515	0.4
65.03914	0.5
67.05498	0.4
68.05038	2.2
69.03405	0.6
69.52228	3.6
76.15284	0.5
76.92223	0.4
79.05477	1.0
84.04520	0.5
89.03919	1.1
91.05466	3.6
93.07010	0.9
94.06532	0.6
95.04954	0.8
96.04483	10.4
97.05262	1.2
98.03226	0.5
103.05465	0.6
105.03389	1.5
105.07005	2.9
107.04913	1.1
111.04404	1.0
115.05439	10.2
117.03352	1.2
117.05726	0.7
117.07019	7.0
118.06555	2.6
119.04948	2.3
119.08557	0.9
122.06052	0.7
122.06938	0.6
123.04421	4.6
125.02365	0.5
132.04424	1.0
132.08076	2.7
133.02879	2.3
133.06473	2.5
135.04422	3.7
136.07544	0.7
137.05971	1.5
142.06554	0.7
143.04910	10.3
145.02850	2.8
145.05237	1.8
145.06448	10.1
146.03598	1.4
146.05972	5.7
147.04407	4.7
147.07967	0.6
149.02353	1.0
149.09521	0.8
150.02664	1.3
150.05444	0.7
150.09085	0.5
151.07491	0.6
155.06100	0.5
160.03906	0.7
160.07553	5.5
161.02356	1.7
161.05965	25.5
161.13268	0.6
162.05460	1.8
163.02499	0.8
163.03918	14.8
163.06273	17.1
163.07529	3.6
164.07040	6.8
165.05463	0.7
170.05956	1.1
171.04362	1.4
178.04897	2.8
178.08594	4.8
179.03439	0.6
179.06996	0.9
188.07042	9.8
189.01842	0.7
189.05466	7.9
189.07368	0.8
189.07709	0.7
190.04907	0.7
191.05745	11.9
191.14207	1.2
206.08104	100.0
207.02884	3.5
207.06502	1.3
207.08340	2.2
207.13649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1021
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.38574	1.6
52.53968	1.7
55.01867	15.2
55.05487	5.4
55.65445	1.9
56.05024	14.5
56.96563	41.0
57.03181	1.8
57.03433	25.8
58.06601	17.6
59.04988	4.2
60.04525	12.2
61.02686	2.0
61.02919	24.7
61.79430	2.2
65.03915	5.3
67.05495	9.8
68.05021	9.6
69.03068	2.1
69.03426	28.4
69.07043	3.2
71.04976	5.6
71.56060	3.6
71.95258	1.9
72.04513	3.3
73.02914	33.6
76.07617	4.9
77.00793	2.0
79.05508	10.7
79.05869	2.0
80.05011	13.6
81.03392	6.6
81.07049	8.2
82.06570	4.0
83.00764	2.7
83.04973	11.5
83.12712	1.8
84.04499	69.0
84.47710	1.7
84.96033	5.3
85.02411	2.6
85.02898	45.7
85.06494	3.4
85.54887	1.9
86.03188	1.8
86.06043	2.5
86.67887	1.6
87.04449	3.8
87.81322	1.7
89.00753	3.8
90.05546	6.4
93.03378	4.5
94.06575	3.1
95.00713	2.7
95.01315	2.9
95.04939	8.4
96.01546	4.3
96.04516	3.4
96.08121	68.5
97.02879	15.8
98.01273	5.7
98.06033	3.2
98.96993	3.6
98.97576	47.2
99.04427	5.4
100.07584	1.9
101.00829	6.8
101.06013	2.4
102.00931	2.5
102.01574	3.2
102.05523	4.8
102.96836	1.9
103.02380	3.2
104.01264	2.7
105.02056	2.0
106.06518	4.6
107.03449	4.3
107.04916	3.0
109.02879	4.0
109.06474	2.2
110.01265	11.0
110.06044	13.0
110.97557	8.7
111.04394	4.9
112.07679	2.1
113.02371	11.8
114.05499	7.8
115.03986	2.2
116.01263	3.8
116.59447	1.9
116.98620	27.4
117.02063	1.9
117.05659	2.1
119.01819	45.1
119.06901	2.0
120.02014	5.5
120.46728	2.0
121.01653	6.1
121.02881	2.7
122.06023	22.1
124.07583	45.5
125.01825	3.2
125.04492	9.4
127.03941	10.3
128.01387	3.8
128.02307	37.0
128.07060	5.4
128.52492	1.8
128.98590	14.9
129.01889	2.1
129.03856	1.9
129.05458	2.8
130.05006	3.0
130.52544	3.7
131.01889	9.3
132.02019	2.7
132.04439	3.1
133.01599	4.4
133.03455	5.1
133.05171	5.4
134.02298	2.8
134.05991	13.6
134.99634	12.0
135.03090	2.3
137.02837	12.3
138.02530	5.8
139.03914	2.9
140.00139	2.3
140.02271	7.2
140.07071	6.4
140.98576	2.8
141.02139	3.1
142.03464	3.0
142.08623	54.4
143.00232	3.8
143.01895	4.6
143.02899	2.6
145.03456	3.0
146.02293	8.5
146.08101	4.2
146.99628	12.6
147.03087	3.7
148.06085	6.9
149.02832	3.0
152.02309	4.9
152.07050	13.0
153.03069	3.3
157.03481	2.3
158.99667	12.0
160.04466	3.2
160.09673	53.6
161.01190	8.4
161.02753	9.3
162.03239	2.3
162.05627	2.1
162.09111	4.7
163.02638	3.4
164.03146	2.8
165.03131	3.0
170.08112	58.8
170.99654	6.2
171.05031	3.2
173.01215	6.2
173.02934	8.5
173.06763	4.6
174.03410	4.3
174.07449	23.5
175.02692	4.0
175.08188	4.2
177.00693	12.2
178.04988	18.2
182.03333	4.0
182.99612	4.1
183.05099	2.5
185.02943	2.7
187.02742	4.8
187.04494	4.0
188.07103	7.7
188.09158	36.2
189.00705	15.0
190.04909	2.8
190.08638	16.4
191.02303	3.5
191.03929	4.6
201.00688	16.7
201.02475	5.6
203.02263	4.4
206.02719	3.8
206.04440	12.2
206.08290	4.8
206.10219	100.0
206.13739	4.7
207.01627	2.4
213.00647	2.7
217.00227	2.8
219.01727	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	207.065
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03946	1.8
55.01863	3.7
55.05507	2.1
57.07072	0.7
58.16453	0.6
63.02375	0.7
64.03159	0.9
65.03930	9.9
67.05502	4.0
68.99779	0.7
69.03418	2.2
69.07066	1.5
70.06607	0.6
71.04986	1.7
71.14292	1.7
76.03132	0.8
77.03925	2.6
78.04684	0.6
78.37328	0.7
79.05490	6.5
80.06284	0.9
81.03414	2.3
81.07069	3.2
83.04982	1.1
85.02889	1.9
89.03909	7.0
90.04688	1.2
91.05470	100.0
92.05804	2.1
93.03392	2.1
93.07036	5.0
95.04964	5.3
95.08603	4.6
99.04424	0.8
103.05450	4.2
104.02583	1.9
105.03372	2.5
105.04520	1.0
105.07014	12.9
106.06537	2.0
107.04960	5.3
107.08591	4.1
108.05721	2.6
109.06499	3.3
109.10149	1.6
111.04440	1.3
111.08036	0.8
115.05451	8.0
117.07013	2.1
118.04140	10.4
119.04931	86.9
119.08562	8.0
119.23538	0.7
120.04501	4.5
120.05221	1.2
121.02855	4.1
121.03567	0.7
121.06500	3.8
121.10133	4.2
122.03595	1.1
123.04418	41.3
123.08072	4.5
123.09000	0.7
123.11653	0.9
128.06204	1.2
129.03348	1.7
129.06958	3.0
131.04886	5.2
131.08578	2.1
132.02066	7.9
132.05606	0.9
133.02823	3.0
133.06477	5.2
133.10118	3.7
134.05974	4.2
135.04390	5.9
135.08066	1.6
135.11681	1.6
136.05173	3.6
137.02306	2.3
137.05939	3.4
137.09589	3.2
139.03822	1.1
143.04915	8.1
143.08530	1.2
144.04445	0.7
145.02829	2.7
145.06497	1.7
145.10086	2.3
146.03618	3.7
146.05986	0.9
146.07198	1.8
147.04393	77.6
147.07991	4.2
147.11638	5.6
148.03873	1.6
148.05063	1.9
148.08643	1.8
149.02319	16.2
149.05908	2.2
149.09622	5.2
150.03069	1.7
151.03912	1.1
151.07469	4.0
151.11113	0.7
156.09360	1.2
157.03955	6.1
157.06477	1.3
159.04390	2.3
159.11588	0.9
161.05963	50.1
161.09570	8.5
161.13274	4.0
162.03220	1.1
162.05426	8.7
163.03873	4.1
163.07539	1.3
163.11165	1.5
164.03424	0.8
164.04668	7.4
165.05466	4.0
165.09015	1.2
165.12729	1.9
166.04985	6.6
171.11691	1.3
174.03026	2.3
174.06653	1.5
175.03888	77.6
177.01794	3.1
177.05411	3.8
179.03375	1.8
179.06979	13.9
180.04201	0.7
180.06516	7.5
189.05414	5.3
189.09091	7.4
189.12711	3.9
190.04956	10.5
192.04153	26.3
207.02792	3.5
207.06461	52.5
207.10062	3.6
207.12149	1.4
207.13838	10.4
207.17432	1.3
208.06018	16.2
221.80702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1013
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02390	0.4
51.11580	0.3
51.15527	0.3
52.13581	0.3
53.03931	0.7
55.01860	0.6
55.05503	1.7
57.03419	0.4
57.07075	0.5
62.75745	0.3
65.03952	0.4
65.32738	0.3
67.05501	1.9
69.03416	1.5
69.07056	1.2
69.74116	1.9
71.04982	1.4
72.37521	0.3
79.05482	3.0
80.42951	0.3
81.03387	0.5
81.07047	2.3
83.04971	2.2
85.02897	0.7
85.06532	0.4
90.41688	0.3
91.05469	11.5
93.07037	3.9
95.04955	1.8
95.08020	0.5
95.08583	3.0
97.06492	0.6
97.46995	0.3
99.04454	1.1
103.05470	2.0
105.07006	10.7
107.04913	2.2
107.08571	5.8
109.06493	5.0
109.10152	1.7
110.30995	0.4
110.42140	0.4
111.08041	0.5
115.05450	1.3
116.06193	0.9
117.07018	1.9
118.04146	3.3
119.04937	3.9
119.08562	8.2
120.04446	0.6
121.06488	5.3
121.10113	5.0
122.07023	0.3
123.04444	0.4
123.08035	3.2
123.11667	0.9
128.06215	2.6
129.06981	6.1
130.07791	0.8
131.04919	5.2
131.08557	3.6
132.05724	0.7
133.02827	0.4
133.06470	2.8
133.10127	3.9
135.08032	1.6
135.11658	1.0
137.05954	0.6
137.09618	2.8
143.08540	1.4
144.05688	1.2
145.06445	2.0
145.10094	2.9
146.03607	2.2
146.07243	5.5
147.04369	1.4
147.08020	3.6
147.11659	6.5
148.05145	4.5
149.02370	0.6
149.09596	15.7
151.07536	2.0
156.09326	1.7
157.06471	1.8
158.07303	0.5
159.04399	0.7
159.08040	1.4
159.09200	0.5
159.11676	0.9
160.08794	0.9
161.05954	100.0
161.09583	23.1
161.13232	6.1
162.06277	1.1
163.07530	1.3
163.11168	3.9
164.04602	0.8
165.09097	1.1
165.12767	1.6
171.11671	1.8
174.06708	2.7
174.10411	0.9
175.03841	1.4
177.12758	0.6
178.74673	0.4
179.06993	0.7
189.09079	25.8
189.12689	8.5
190.04944	1.2
190.09348	0.5
192.04189	0.9
198.40535	0.3
207.06508	2.9
207.10214	3.3
207.13771	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	207.1014
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.02366	2.0
53.03933	4.4
55.01867	7.6
55.05510	6.9
57.07052	1.3
59.04987	1.6
61.38186	1.2
65.03935	3.0
67.05498	13.9
69.03417	12.9
69.07050	4.3
69.92286	2.5
69.92695	5.1
71.04979	9.0
74.76773	1.1
77.03947	1.9
79.05489	19.3
80.06223	1.3
81.03405	5.8
81.07050	27.7
83.04954	5.2
83.08627	2.6
85.02882	2.1
85.06500	2.1
91.05469	50.7
92.05776	1.3
93.07030	29.6
95.04955	14.9
95.08598	10.7
97.02884	5.9
97.06502	5.8
98.97555	1.8
99.00807	1.5
99.04436	5.1
101.05997	5.7
103.05473	5.6
105.03419	1.6
105.07018	86.7
107.04956	10.8
107.08582	54.0
109.02856	2.7
109.06509	18.3
109.09499	1.1
109.10155	7.5
109.10788	1.2
111.04442	2.7
111.08051	2.4
115.05431	5.6
116.06204	3.3
116.98618	1.6
117.07027	5.6
119.04933	14.9
119.05816	1.7
119.07771	2.1
119.08569	33.3
120.04427	1.8
121.06499	14.2
121.10127	11.0
123.04434	2.6
123.08048	12.3
123.11662	1.6
125.05972	3.9
125.09612	2.3
127.46413	1.2
128.06233	13.5
129.06998	2.8
130.07777	1.8
131.04886	1.8
131.08539	6.4
133.06477	30.4
133.10118	64.6
135.08029	4.0
135.11693	4.5
136.05191	3.6
137.05963	10.1
137.09598	10.8
137.13225	2.5
139.07480	1.3
143.08540	25.9
145.06464	3.6
145.10127	10.1
146.03598	3.0
146.07220	10.1
147.04396	5.9
147.08066	12.2
147.11668	7.9
149.02301	5.0
149.05980	2.2
149.09567	8.9
151.07513	11.5
151.11182	3.2
156.09377	2.6
161.06012	9.1
161.09599	100.0
161.13185	8.7
162.09904	1.4
163.11165	16.7
164.04663	7.0
165.05460	3.6
165.09099	7.1
165.12747	2.8
171.08057	4.2
171.11650	4.1
174.06754	5.2
174.10335	1.1
179.07005	6.5
179.10645	8.5
179.14273	3.8
189.05472	1.5
189.09082	25.0
189.12698	10.6
190.05090	1.5
192.04160	3.6
207.02757	1.1
207.06549	15.3
207.10156	27.1
207.13748	32.4
207.17368	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	207.1013
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.77364	0.5
53.03955	1.1
55.01874	1.2
55.05524	1.5
57.03461	0.8
65.03967	1.2
67.05497	2.2
68.99815	0.5
69.03439	1.6
69.07084	1.0
70.81459	1.2
71.05002	0.5
74.13657	0.5
79.05474	3.2
81.03443	0.8
81.07048	3.7
83.04996	0.6
85.02924	1.4
85.06556	1.0
90.04755	0.5
91.05472	15.2
92.05765	0.4
93.07031	4.5
95.04957	2.3
95.08597	2.8
97.02907	0.6
100.24135	0.4
103.05450	2.8
105.03385	1.0
105.07019	11.3
107.04950	2.4
107.08594	2.7
109.06525	1.9
109.10170	2.2
115.05482	2.0
116.06232	1.1
117.07026	1.3
118.04140	3.4
119.04937	8.2
119.08569	4.5
120.04456	0.6
121.02811	0.6
121.06482	5.7
121.10158	1.4
123.04427	1.6
123.08047	2.5
123.11729	0.8
128.06210	3.4
129.06995	5.3
130.07814	0.9
131.04916	7.6
131.08580	2.1
132.05719	0.7
133.02832	0.5
133.06468	2.4
133.10117	6.0
134.03633	0.7
135.04358	0.5
135.08067	0.8
136.05168	2.8
137.05978	1.9
137.09621	1.3
143.08595	1.8
144.05681	0.8
145.06476	2.2
145.10123	1.4
146.03604	4.0
146.07246	6.6
147.04399	5.2
147.08069	3.6
147.11693	3.6
148.05202	4.7
149.02339	4.2
149.06004	1.4
149.09618	2.7
149.13268	0.7
151.07538	3.7
155.06081	0.6
157.06497	1.7
158.07198	0.6
159.08096	1.1
161.05960	100.0
161.09593	26.3
161.13205	2.5
162.06323	1.9
163.03903	1.5
163.07487	2.3
163.11172	1.6
163.60815	0.5
164.04654	6.5
164.08154	0.6
165.05476	0.6
165.09074	1.8
165.12766	1.0
171.11653	0.7
174.03160	1.5
174.06717	3.6
175.03882	1.2
177.05449	1.1
178.07693	0.6
179.07028	5.2
179.08476	0.8
179.10638	0.5
189.05418	1.1
189.09079	26.7
189.12672	3.1
189.16376	1.2
190.04951	1.9
190.09421	0.6
192.04147	2.9
207.02809	0.9
207.06464	15.6
207.10054	6.8
207.13802	3.9
207.17354	0.8
228.25346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1012
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02383	0.3
53.03934	0.6
55.01869	0.5
55.05505	1.1
57.03425	0.3
57.07064	0.5
59.04990	0.5
63.02370	0.2
63.52613	0.3
65.03928	0.5
67.05502	1.4
69.03418	3.4
69.07053	0.6
69.19418	0.8
69.19830	1.9
71.04973	0.6
77.03952	0.2
79.05473	2.4
81.03407	0.9
81.07046	2.2
83.04973	0.8
85.02904	2.0
85.06517	0.4
91.05467	10.4
92.05767	0.3
93.07021	2.5
95.04968	1.7
95.08584	2.8
95.18420	0.2
96.05739	0.2
97.02921	0.3
97.06524	0.6
98.98927	0.3
99.04411	0.3
103.05447	2.0
105.03378	0.4
105.07016	10.1
107.04948	2.4
107.08588	3.3
109.05820	0.4
109.06488	2.1
109.10157	0.7
111.08060	0.9
115.05444	2.0
116.06250	0.8
117.07017	2.7
118.04142	3.6
118.07789	0.3
119.04931	3.0
119.08560	6.3
120.04433	0.4
121.06478	3.6
121.10124	2.8
123.04411	0.3
123.08047	3.1
123.11694	1.5
125.05990	0.5
128.06201	3.7
129.06987	6.7
130.07777	1.2
131.03410	0.3
131.04903	6.5
131.08549	4.2
132.05682	0.7
133.02823	0.7
133.06465	2.0
133.10112	2.6
135.04376	0.3
135.08078	0.4
135.11682	0.5
137.05914	0.6
137.09616	1.2
139.07515	0.3
141.06973	0.5
143.04889	2.8
143.08531	1.3
144.05672	0.9
145.06467	3.7
145.10086	1.5
146.03600	2.2
146.07237	6.1
146.10849	0.3
147.04353	0.9
147.08026	3.7
147.11668	5.9
148.05165	5.2
149.05943	0.4
149.09596	5.8
151.07507	1.9
155.06052	0.5
156.09306	1.5
157.06468	2.4
158.07242	0.6
159.04399	0.7
159.08006	1.1
160.08865	0.7
161.05956	100.0
161.09583	23.3
161.13203	2.0
162.06340	1.7
162.09914	0.3
163.07497	1.4
163.11130	1.9
164.04657	0.3
165.05464	0.3
165.09103	0.7
165.12724	1.1
171.04398	0.8
171.08003	0.4
171.11658	1.1
174.06741	4.6
174.10335	1.3
175.07518	0.3
177.09048	0.4
179.07039	0.6
179.10616	0.6
189.05519	1.4
189.09082	21.9
189.12688	5.5
189.16422	0.4
190.04968	0.9
190.09399	0.4
207.02780	0.3
207.06506	1.6
207.08380	0.4
207.10193	3.7
207.13766	9.4
207.17073	0.3
222.08119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05488	7.7
57.07041	4.8
57.41293	2.5
65.03915	3.3
67.05480	11.1
69.03421	7.3
69.07047	4.1
69.64233	22.0
79.05485	15.5
81.07055	32.2
83.04929	5.2
85.02895	100.0
85.06577	3.8
91.05466	51.4
93.07040	17.7
95.04951	7.3
95.08582	8.0
105.07014	51.9
107.04935	9.6
107.08589	17.4
109.06499	9.9
109.10139	14.4
111.58894	2.7
115.05432	4.1
117.06985	8.6
119.04953	29.7
119.08568	52.2
121.10136	24.3
123.08038	13.7
123.11707	57.0
125.05956	11.5
129.06981	7.3
130.07799	5.4
131.08571	19.4
133.10123	7.7
141.06964	7.3
143.08594	14.9
145.10126	19.9
146.10899	4.9
147.04416	20.3
147.08011	20.1
147.11670	55.2
149.09575	15.9
151.07501	10.0
156.09303	20.3
159.07982	8.3
160.08804	4.0
161.05972	3.8
161.09677	4.1
161.13245	10.0
163.11140	14.2
164.04651	5.8
165.09120	3.1
171.11613	8.0
174.10367	13.8
175.03876	23.4
189.12724	52.0
192.04138	8.8
207.06409	14.8
207.13783	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.8
55.05492	7.4
57.07067	3.6
57.92254	1.4
59.04976	1.8
64.49372	1.6
65.03925	2.0
67.05494	36.7
69.03419	7.0
69.07057	5.0
70.19215	7.3
71.04972	4.6
76.52094	1.7
79.05484	10.1
81.03432	1.8
81.07045	13.3
83.04964	5.6
85.02895	30.0
85.06524	11.5
89.21706	1.6
91.05472	20.5
93.07033	19.7
93.53621	1.5
95.04952	6.5
95.08595	100.0
97.06524	2.2
105.07018	30.9
107.04923	3.6
107.08583	36.8
109.06516	9.2
109.10124	7.6
113.05980	5.0
117.06973	3.5
119.04906	4.6
119.08565	43.7
120.09356	2.5
121.06496	7.7
121.10128	27.0
123.08052	74.6
123.11688	24.8
125.05978	4.1
125.09634	1.9
129.06990	2.7
130.07729	2.0
131.08557	10.4
133.06487	4.3
133.10094	7.5
135.08052	3.8
135.11655	4.0
137.09613	8.3
137.13173	3.0
139.07458	2.4
143.08553	3.8
145.10120	8.5
147.04391	4.1
147.08031	14.0
147.11656	28.5
149.09602	99.4
151.07520	4.1
151.14792	3.2
156.09300	8.6
159.07993	3.3
160.08826	3.8
161.05983	5.6
161.09575	4.9
161.13246	30.5
163.11143	6.3
165.12750	15.7
171.11661	10.4
174.10410	5.6
175.03917	3.5
179.14273	2.8
189.09106	2.0
189.12724	37.3
207.13783	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.32515	0.4
55.05497	1.3
59.04985	1.4
67.05500	0.9
69.03427	2.5
69.07061	1.3
70.59129	1.3
71.04974	2.0
75.42078	0.3
79.05497	2.8
81.07046	3.1
83.04957	2.3
85.02904	0.4
85.06506	0.4
91.05466	3.3
93.07027	5.9
95.04956	1.1
95.08591	3.1
97.06518	1.4
100.27283	0.4
103.05452	0.6
105.07016	10.0
107.04944	0.7
107.08582	7.7
109.06503	4.0
109.10154	0.5
115.49158	0.4
117.07032	0.7
119.04924	1.8
119.08557	6.3
121.06467	3.1
121.08415	0.7
121.10126	7.3
122.07285	0.6
122.62503	0.3
123.08051	9.7
123.11713	3.0
128.06181	0.6
129.07008	0.8
131.08572	2.2
133.06497	1.9
133.10081	2.4
135.08032	1.1
137.09618	3.8
137.13245	1.0
143.08554	2.1
145.10118	2.4
147.08025	2.9
147.11664	5.5
149.09599	100.0
150.09950	1.7
151.07520	2.4
156.09290	3.0
159.07997	0.6
159.11685	0.6
160.08833	0.7
161.09575	0.8
161.13263	5.5
163.11163	3.9
164.11977	0.4
165.09169	0.5
165.12730	5.2
171.11674	6.3
174.10423	2.5
189.12726	21.0
207.13776	45.8
208.14124	1.2
229.99428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	0.6
53.03941	1.8
55.01864	1.2
55.05505	4.5
57.03426	1.0
57.07065	1.3
59.04993	2.1
59.22453	0.6
65.03928	0.7
67.05505	4.0
69.03434	4.4
69.07060	5.5
69.65238	4.0
71.04986	2.9
74.27744	0.6
75.86567	0.6
77.03911	0.7
79.05483	6.2
81.03394	0.7
81.07042	4.5
83.04977	5.1
83.08646	0.8
85.02896	2.5
85.06544	1.3
86.64530	0.7
91.05468	17.0
93.07032	8.2
95.04964	3.4
95.08595	6.6
97.06529	1.4
98.21539	1.3
103.05460	2.6
105.07019	28.5
107.04922	3.3
107.08582	9.3
109.06499	7.9
109.10148	1.7
115.05354	0.7
116.06213	1.2
117.06992	3.7
118.04155	2.8
119.04939	5.0
119.08566	28.4
121.06490	7.6
121.10130	15.4
123.08041	12.4
123.11699	3.1
128.06241	4.2
129.06979	7.2
130.07747	1.2
131.04893	5.0
131.08551	7.6
133.06491	6.0
133.10112	18.4
135.08058	1.9
135.11679	2.8
137.05957	1.0
137.09593	6.2
137.13170	0.9
141.06982	0.9
142.58061	0.7
143.08571	4.3
144.05673	0.9
145.06451	2.7
145.10110	6.9
146.03615	2.0
146.07260	6.2
146.10869	0.9
147.04382	2.6
147.08026	6.9
147.10497	1.0
147.11667	26.6
148.05222	5.6
149.09602	49.2
150.09961	1.0
151.07547	3.9
156.09294	5.4
157.06421	1.3
159.08043	2.9
159.11705	1.8
160.08847	2.9
161.05962	100.0
161.09584	26.6
161.13232	60.5
162.06354	2.0
162.09978	1.1
163.07611	0.7
163.11168	13.1
165.09073	1.9
165.12737	5.9
171.11642	7.2
174.06767	3.2
174.10355	5.2
175.03799	0.9
177.12735	1.0
179.14342	0.8
189.09099	23.4
189.12720	42.5
190.04964	1.8
192.04109	0.7
207.06512	2.9
207.10100	3.3
207.13780	73.3
208.14099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01876	0.5
56.05032	0.9
56.96561	1.9
57.07073	0.7
58.99869	1.9
69.03448	0.7
69.07043	0.5
71.06100	0.7
71.51370	0.5
71.51762	0.7
74.64789	0.4
77.00887	2.6
81.03408	3.3
82.06544	0.6
83.06090	0.5
86.84069	0.4
93.07052	0.6
93.24174	0.5
95.01937	1.1
98.97567	1.5
100.02480	1.8
101.00872	1.2
103.02437	1.5
105.00334	0.6
107.08577	0.6
108.04473	0.8
109.02845	3.6
109.06509	0.6
113.00877	1.0
115.02433	1.7
116.98610	1.6
117.04031	0.5
118.01131	1.6
118.03520	2.3
119.01914	10.4
120.02034	1.4
120.08065	0.5
121.01595	2.4
121.03471	0.9
123.09158	0.6
129.03947	1.7
131.01888	6.5
133.03471	2.0
134.99667	2.5
137.02950	5.7
137.09561	0.6
138.03061	0.6
139.02557	1.8
141.03979	1.7
142.03493	1.5
143.01907	0.9
144.03215	2.9
144.04974	0.6
145.03464	2.3
146.99770	1.8
147.05013	2.1
149.00769	1.2
149.02925	1.9
153.00688	1.0
156.00282	1.4
157.03462	13.5
159.05002	5.5
160.04504	0.9
161.02930	2.3
161.04390	0.5
161.05861	0.7
162.03064	2.1
162.04303	1.6
167.01842	5.7
167.03166	0.9
167.04865	0.8
167.06612	0.5
167.51180	0.8
168.05093	0.7
173.02959	2.2
175.04457	4.1
177.00912	3.0
177.06001	1.8
180.05165	0.9
181.04648	0.6
182.06679	1.2
183.06094	0.9
184.04424	1.3
185.02937	100.0
186.03090	4.2
190.03464	1.5
191.03949	0.9
196.04541	0.7
199.05693	0.8
200.07697	1.0
203.02295	2.6
203.03984	41.8
203.07513	2.9
204.04088	1.7
208.04526	30.4
209.04546	1.4
221.03139	0.8
221.04997	3.1
226.05560	7.3
227.03891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35043	1.0
53.03941	8.3
54.03449	4.3
55.01865	12.0
55.05508	7.7
56.04779	1.3
56.05027	17.9
56.96560	23.3
57.03433	13.5
58.02954	8.3
58.06583	1.7
59.03722	2.5
60.04501	4.4
61.02916	3.1
62.44978	1.1
65.03937	10.5
67.04218	4.0
67.05494	14.2
68.01360	1.2
68.05018	17.1
69.03424	15.1
70.02943	17.9
70.06590	6.9
70.36801	3.0
71.01328	4.0
71.04647	1.1
71.04989	13.8
72.04505	10.3
73.02911	6.5
74.02419	2.0
75.04459	2.0
79.05487	5.7
80.05006	42.2
81.02972	1.6
81.03407	19.1
81.05762	1.7
81.07023	3.6
82.02941	5.6
82.06577	16.0
83.01324	1.6
83.04472	1.2
83.04971	16.6
84.04492	84.7
84.96000	1.8
85.02894	46.3
86.02411	1.4
86.03254	1.1
86.06052	2.8
87.04459	16.8
88.02193	3.5
88.03974	9.3
91.05443	4.1
92.04993	5.0
93.02975	0.9
93.03395	8.8
94.02895	1.5
95.01283	3.3
95.04972	10.2
96.04474	4.8
96.05756	1.3
97.02872	4.7
97.06535	0.9
98.02407	1.4
98.06043	20.9
98.97556	7.5
99.04437	21.6
100.03967	39.2
101.02370	2.6
101.79285	1.0
102.05504	0.9
103.02346	1.7
103.03920	1.6
105.00160	7.6
105.03342	1.7
107.04903	4.7
108.04465	28.3
109.02245	1.2
109.02871	11.3
109.05272	5.9
109.06505	1.9
110.06019	12.4
110.97527	2.3
111.04432	9.6
111.06799	0.9
112.03953	43.5
113.02373	6.4
114.03802	1.1
114.05525	1.4
115.03928	6.8
116.03455	1.0
116.39439	1.0
116.98600	4.2
117.02061	1.7
118.01051	1.7
119.01848	4.8
120.04420	1.1
120.08121	1.3
121.02847	3.8
123.01194	15.9
123.02029	1.3
123.04391	2.1
124.03918	2.0
126.05492	38.1
127.03896	12.8
128.02284	3.2
128.03421	3.8
128.07054	2.4
128.98584	1.4
130.01340	1.3
130.04970	1.5
131.01836	1.4
132.02530	1.4
134.02696	1.8
134.99605	1.9
135.04364	2.3
136.03941	8.4
137.02878	1.2
137.04707	2.7
137.81688	1.0
139.03876	11.1
140.98505	1.1
141.02200	14.6
144.06543	25.8
145.03346	1.0
145.04933	1.7
146.99646	1.5
153.05499	1.4
154.04953	20.3
155.03386	1.4
155.05754	2.2
157.03580	1.4
157.04912	2.7
158.99614	1.3
159.03317	1.5
162.05475	3.8
162.07596	50.1
163.07787	1.2
167.00111	1.2
169.01851	1.3
170.99622	1.2
172.06026	89.8
173.06468	1.6
174.99159	1.3
182.11664	1.2
183.03284	2.5
185.01192	10.3
185.02887	5.1
185.04381	1.0
190.07077	41.6
197.01283	1.9
199.02837	1.8
200.23436	1.1
201.00595	1.2
203.02213	4.1
203.03961	2.6
208.08131	100.0
209.01047	1.4
213.00624	1.3
215.02284	1.1
227.02283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02358	3.1
51.87226	1.3
52.53033	1.3
52.82071	1.3
53.03942	8.5
54.80119	1.4
55.01867	21.1
55.05291	1.2
55.05502	13.6
57.03440	3.0
57.07051	4.2
59.04985	2.2
65.03929	16.2
66.04697	2.0
67.05494	16.8
68.42100	1.5
68.89687	1.5
68.99744	1.7
69.03410	7.2
69.07061	10.6
69.65370	11.4
71.04971	4.9
75.04476	13.3
78.04700	11.7
79.05483	27.3
81.03400	5.0
81.07048	23.7
83.04517	1.9
83.04963	14.5
83.08601	6.6
85.02898	8.8
85.06520	4.2
87.83430	1.5
89.03895	7.4
89.06007	1.9
91.05473	60.9
93.03397	31.8
93.07034	42.5
95.04427	2.3
95.04968	26.8
95.08033	1.8
95.08598	26.0
97.02858	3.4
97.06522	14.0
97.10163	2.4
99.04422	4.0
103.05459	24.5
105.03377	3.6
105.04462	4.3
105.07014	9.5
106.04165	82.8
107.04963	12.5
107.08577	25.3
108.05736	2.4
109.06503	27.3
109.10113	8.9
111.04420	5.9
111.08058	7.8
115.05412	1.7
117.03336	5.8
117.06966	6.1
117.95942	1.6
118.04111	2.1
119.04926	4.5
119.08537	6.8
120.39048	1.5
121.06497	85.2
121.10132	15.2
122.03624	1.9
123.04395	4.5
123.08038	7.7
123.11697	3.6
124.05190	3.1
125.05145	2.3
125.05987	25.1
125.09596	13.4
131.04912	10.9
131.08574	3.9
133.10091	6.4
134.03636	14.0
135.04387	5.3
135.08063	10.2
135.11659	17.6
137.05989	9.6
138.06738	5.3
139.07498	6.9
143.08412	1.5
145.02817	6.9
145.10109	12.6
147.04391	3.6
147.08003	1.8
147.11597	2.6
148.05177	11.1
149.05968	100.0
149.09592	6.7
149.13249	4.6
151.03880	2.6
151.07510	4.9
151.11157	5.6
153.05441	6.8
153.09087	27.8
159.04384	3.0
163.07565	8.1
163.10034	1.6
163.11168	11.0
163.14809	6.7
165.05484	2.9
165.06978	2.2
165.12753	5.2
166.06303	3.7
166.07689	2.1
167.03349	2.2
167.07021	2.2
167.14333	4.3
173.13240	5.7
177.04005	3.0
177.05455	39.7
179.08484	1.7
181.04890	2.9
181.08580	18.8
181.10002	2.4
191.07028	9.8
191.10641	3.6
191.14279	21.9
209.04395	7.7
209.06192	2.0
209.07999	21.8
209.09726	5.0
209.11618	3.1
209.13538	2.5
209.15337	49.9
209.18625	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	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02378	1.6
53.03939	8.9
55.01867	17.6
55.05503	10.4
57.03424	2.7
57.07061	3.3
59.04979	2.2
65.03926	12.1
67.05497	13.3
69.03422	7.1
69.07070	7.6
69.30373	7.9
69.30795	5.7
71.04969	5.2
75.04486	7.7
78.04701	10.3
79.05501	14.5
81.03399	4.0
81.07053	23.7
83.04973	8.6
83.08593	3.7
85.02913	7.1
85.06531	4.8
89.03909	7.3
89.06029	2.9
91.05472	56.9
93.02868	2.2
93.03400	22.6
93.07037	42.6
95.04964	33.0
95.08595	20.7
97.06525	16.9
97.10123	2.6
99.04433	2.9
99.08084	2.4
103.05454	24.6
105.03358	4.1
105.04486	3.5
105.07008	9.3
106.04164	81.6
107.04980	7.5
107.08591	23.3
108.05746	2.3
109.02863	1.5
109.06503	14.9
109.10136	6.0
110.03625	1.6
110.07197	1.2
111.04411	4.9
111.08058	6.2
117.03336	5.0
117.06969	3.2
118.04124	2.0
119.04906	4.3
119.06033	1.3
119.08584	4.5
121.06495	81.8
121.10130	14.3
123.04410	4.3
123.08047	5.8
123.11678	5.9
124.05171	2.9
125.05983	23.7
125.09608	4.3
131.04929	7.2
131.05818	1.1
131.08531	5.1
133.02832	2.0
133.10103	7.6
134.03596	12.3
135.04384	4.5
135.08049	7.3
135.11682	17.2
137.05962	14.5
138.06706	3.9
139.07509	5.1
145.02823	5.6
145.10101	5.3
147.04373	2.0
147.11691	5.2
148.05165	8.5
149.05965	100.0
149.09592	6.0
149.13223	5.1
151.03854	1.9
151.07472	4.6
151.11157	8.4
152.08289	1.3
153.05473	7.5
153.09094	22.5
159.04379	3.4
163.03886	4.2
163.07520	7.0
163.11177	4.1
163.14810	8.7
165.05391	2.5
165.12759	1.6
166.06308	3.1
166.07698	2.1
167.07008	3.1
167.14275	3.6
173.13240	9.4
176.04678	2.1
177.05441	43.4
178.06122	1.6
179.08571	1.6
180.07802	1.4
181.04962	2.5
181.08621	17.1
181.10080	1.8
191.07019	8.8
191.10591	3.3
191.14278	15.4
193.04889	1.4
194.05800	1.4
194.10913	1.4
209.04352	10.7
209.06102	1.5
209.07945	19.3
209.09575	2.9
209.11525	3.4
209.13416	2.8
209.15303	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	209.0918
Annotation	Formyl-5-hydroxykynurenamine
Peak:m/z	Relative Intensity
55.01805	1.5
55.05441	1.5
56.96482	4.5
65.03882	1.0
67.05430	1.6
68.04990	0.8
69.03367	1.6
69.07002	0.8
70.48022	1.7
70.48424	1.4
79.05435	1.6
80.04939	1.3
81.03335	0.9
81.06991	1.3
83.04891	2.7
83.06027	0.7
84.04455	0.9
84.33758	0.7
89.03839	3.3
91.05466	3.7
91.70078	0.7
93.03340	0.9
93.06968	1.6
94.06506	1.6
95.04951	4.5
96.04415	0.9
97.02813	0.9
97.06435	0.8
98.97515	1.6
99.04375	0.7
103.05397	1.3
106.06523	1.6
107.04858	2.4
107.08511	1.7
108.04401	2.0
108.08121	4.4
109.06454	1.9
109.10106	1.2
110.06045	3.8
111.04375	1.4
116.60419	0.7
117.03326	1.7
117.05685	1.5
118.06535	11.9
119.04866	1.7
119.08516	0.9
120.08070	0.7
121.02784	1.5
121.06464	1.7
121.07510	0.6
121.10074	2.0
122.05997	5.7
123.04299	0.9
124.07541	1.6
125.09543	1.2
126.05511	0.8
128.04926	0.9
131.04886	1.0
132.04355	1.6
134.06020	4.3
134.08336	1.4
135.04391	4.9
135.06445	0.9
135.08015	1.6
135.09091	1.9
135.11658	0.9
136.03871	1.7
136.07564	7.5
137.06003	0.9
137.07065	0.9
138.05418	1.3
139.03847	1.1
145.02708	1.8
145.07561	2.0
146.05995	35.0
147.04373	1.6
148.03844	1.3
148.07492	1.0
149.04657	1.3
149.05937	1.8
149.07024	1.7
149.09590	1.8
149.13158	1.0
150.05450	2.2
150.06522	0.7
152.07051	4.2
153.05457	1.2
156.03259	3.0
160.03893	0.9
162.05475	13.2
163.03857	12.4
163.06151	1.6
163.07512	1.4
163.08655	12.3
164.03392	18.1
164.07048	13.4
166.04350	0.8
167.06972	0.9
173.07112	4.1
174.04353	3.1
174.05521	30.2
175.06160	2.0
175.08624	2.2
177.04077	1.7
177.05507	1.7
178.38348	0.7
180.06467	2.7
181.04944	1.6
181.09836	1.4
185.97437	0.8
186.04312	1.9
186.05931	1.0
186.68745	0.6
187.04564	2.0
191.05521	0.9
191.08221	9.9
191.14288	1.1
192.06540	100.0
193.06892	1.2
204.05490	3.0
209.04568	4.2
209.06314	1.3
209.09238	31.1
209.15344	7.4
210.09506	0.8
215.03990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03929	5.6
55.01865	8.3
55.05500	14.9
57.03414	3.3
57.07062	1.5
59.04986	2.2
65.03925	3.9
67.05499	19.4
68.37669	1.3
69.03419	9.5
69.07062	7.6
70.95822	1.3
71.04984	11.4
71.09946	2.2
71.10266	1.8
78.04686	1.8
79.05481	30.6
81.03383	2.5
81.07045	22.9
83.04964	10.0
83.08584	2.7
85.02877	2.2
85.06519	3.9
91.05463	25.8
93.03398	2.9
93.07029	88.9
95.04964	15.9
95.08598	8.0
97.06520	19.4
99.04433	22.8
101.05956	2.7
103.05459	3.1
105.07018	39.6
106.04150	7.8
107.04926	6.2
107.08582	56.8
109.06499	12.6
109.10139	3.6
111.04440	1.9
111.08064	3.7
115.05416	2.0
117.06992	11.5
118.26902	1.6
119.07767	2.5
119.08565	27.6
121.06490	44.2
121.10123	100.0
122.10497	1.3
123.08040	7.2
123.11695	1.9
125.05968	3.7
125.09599	3.2
130.07784	5.1
130.82263	1.4
131.04926	3.1
131.08553	14.8
133.06516	2.3
133.07585	1.5
133.10115	6.8
135.08028	25.3
135.11656	19.6
137.09642	1.7
139.07495	3.7
143.08539	1.9
145.02797	1.6
145.10106	48.9
145.11246	2.6
147.07982	2.4
147.11656	7.1
149.05949	15.9
149.09595	48.4
149.13228	5.7
151.07507	2.1
151.11165	4.2
153.01797	2.5
153.05481	1.7
153.09033	3.8
163.07523	2.3
163.11159	82.3
163.14806	2.5
165.12770	2.2
167.06984	4.4
167.14291	3.2
173.09612	8.7
173.13249	4.9
176.06599	1.3
177.05461	7.9
181.12201	7.7
191.06961	2.8
191.10635	33.5
191.14279	18.1
209.04457	4.6
209.08044	5.0
209.11620	13.8
209.13380	2.9
209.15314	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	5.4
55.01867	10.3
55.05505	16.5
57.03416	2.0
57.07061	2.1
65.03922	3.8
67.05497	15.2
69.03412	9.8
69.07061	7.6
69.55871	6.9
71.04984	9.2
74.14197	1.1
74.40318	1.1
75.04466	1.5
78.04702	1.5
79.05485	35.7
81.03426	2.1
81.07047	27.5
83.04972	10.6
83.08602	3.2
85.02880	2.3
85.06529	3.9
91.05468	29.2
93.03378	5.3
93.07031	78.5
94.07373	1.7
95.04948	16.8
95.08592	8.4
97.06518	14.2
98.20568	1.0
99.04440	13.0
101.05988	1.4
103.05467	6.1
105.07018	87.3
106.04156	12.4
106.07372	1.3
107.04942	6.2
107.08578	69.4
108.08882	1.4
109.06509	17.9
109.10145	4.1
111.04455	1.7
111.08095	1.8
113.05993	1.4
115.05463	1.7
117.03364	2.3
117.06999	13.4
119.04973	1.1
119.06007	1.1
119.08558	35.2
121.06492	41.7
121.10125	54.2
123.08045	4.9
123.11706	1.5
125.05952	3.6
125.09577	2.1
128.06230	1.4
129.07059	1.9
130.07776	5.5
131.04945	2.8
131.08582	7.9
133.06561	1.6
133.10107	5.4
134.03566	1.4
134.07253	1.2
135.04405	2.1
135.08041	28.7
135.11673	24.4
136.12009	1.2
137.05963	2.9
137.09583	1.2
139.07509	3.4
139.11151	1.2
143.08612	2.7
145.02840	1.2
145.10100	57.2
147.04439	1.6
147.07994	1.4
147.11685	3.7
148.05170	1.3
149.05969	17.5
149.09596	27.2
149.13237	3.0
151.07532	1.4
151.11176	3.1
153.05489	1.7
153.09108	5.1
163.07547	3.4
163.11159	100.0
164.11565	1.1
165.12740	1.7
167.07013	2.5
167.14305	2.1
173.09596	8.5
173.13293	3.8
177.05435	10.5
181.04985	2.2
181.08577	2.5
181.10023	1.3
181.12251	2.7
190.08244	0.9
191.07001	3.6
191.10660	26.9
191.14276	8.5
209.04456	6.5
209.06366	1.2
209.08008	6.3
209.09787	1.3
209.11713	13.7
209.15341	13.6
228.16202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01867	10.3
55.05505	16.5
57.03416	2.0
57.07061	2.1
65.03922	3.8
67.05497	15.2
69.03412	9.8
69.07061	7.6
69.55871	6.9
71.04984	9.2
74.14197	1.1
74.40318	1.1
75.04466	1.5
78.04702	1.5
79.05485	35.7
81.03426	2.1
81.07047	27.5
83.04972	10.6
83.08602	3.2
85.02880	2.3
85.06529	3.9
91.05468	29.2
93.03378	5.3
93.07031	78.5
94.07373	1.7
95.04948	16.8
95.08592	8.4
97.06518	14.2
98.20568	1.0
99.04440	13.0
101.05988	1.4
103.05467	6.1
105.07018	87.3
106.04156	12.4
106.07372	1.3
107.04942	6.2
107.08578	69.4
108.08882	1.4
109.06509	17.9
109.10145	4.1
111.04455	1.7
111.08095	1.8
113.05993	1.4
115.05463	1.7
117.03364	2.3
117.06999	13.4
119.04973	1.1
119.06007	1.1
119.08558	35.2
121.06492	41.7
121.10125	54.2
123.08045	4.9
123.11706	1.5
125.05952	3.6
125.09577	2.1
128.06230	1.4
129.07059	1.9
130.07776	5.5
131.04945	2.8
131.08582	7.9
133.06561	1.6
133.10107	5.4
134.03566	1.4
134.07253	1.2
135.04405	2.1
135.08041	28.7
135.11673	24.4
136.12009	1.2
137.05963	2.9
137.09583	1.2
139.07509	3.4
139.11151	1.2
143.08612	2.7
145.02840	1.2
145.10100	57.2
147.04439	1.6
147.07994	1.4
147.11685	3.7
148.05170	1.3
149.05969	17.5
149.09596	27.2
149.13237	3.0
151.07532	1.4
151.11176	3.1
153.05489	1.7
153.09108	5.1
163.07547	3.4
163.11159	100.0
164.11565	1.1
165.12740	1.7
167.07013	2.5
167.14305	2.1
173.09596	8.5
173.13293	3.8
177.05435	10.5
181.04985	2.2
181.08577	2.5
181.10023	1.3
181.12251	2.7
190.08244	0.9
191.07001	3.6
191.10660	26.9
191.14276	8.5
209.04456	6.5
209.06366	1.2
209.08008	6.3
209.09787	1.3
209.11713	13.7
209.15341	13.6
228.16202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.22238	3.1
53.03936	16.1
54.28174	3.0
55.01862	30.0
55.05511	24.3
56.05093	3.1
57.03426	11.1
57.07064	7.8
60.13392	3.1
65.03926	17.4
67.05505	25.9
69.03421	13.5
69.07061	16.6
70.30144	3.3
71.04976	14.0
75.04467	9.4
75.85561	3.0
78.04705	13.5
79.05490	51.4
81.03401	7.1
81.07056	40.6
81.09322	3.0
83.04965	27.8
83.08608	7.7
85.02896	13.9
85.06525	5.8
89.03879	6.1
91.05469	82.4
93.03401	24.7
93.07034	90.6
95.04969	44.9
95.08603	20.0
97.06519	24.0
98.21519	6.5
99.04443	8.6
99.08098	3.4
103.05460	30.3
105.04486	5.2
105.07024	71.2
106.04162	73.2
107.04935	14.8
107.08592	85.8
109.06511	61.0
109.10172	16.2
111.04443	11.9
111.08070	8.2
115.05436	4.3
117.03405	5.9
117.06996	19.9
119.04955	8.9
119.08578	28.7
121.06491	99.1
121.10131	46.8
123.04453	5.8
123.08049	13.3
123.11714	7.5
125.05984	23.1
125.09610	8.2
130.07819	4.0
131.04910	10.8
131.08577	8.8
132.72142	3.4
133.10124	8.9
134.03630	15.5
135.04413	10.3
135.08046	56.0
135.11673	34.0
137.05991	10.7
138.06718	4.4
139.07530	8.9
143.88710	4.0
145.02875	4.2
145.10100	49.1
147.08008	5.0
147.11647	8.4
148.05183	8.4
149.05972	90.5
149.09608	29.0
149.13226	13.8
151.03870	7.1
151.07529	7.0
151.11176	9.6
153.05463	10.3
153.09087	26.2
163.03957	6.3
163.07516	12.5
163.11162	100.0
163.14830	8.1
165.12721	3.6
166.07643	4.5
167.07045	7.3
167.14337	11.0
173.09592	8.1
173.13243	8.1
176.04559	3.8
177.05455	50.9
181.05002	5.1
181.08586	19.7
191.06955	19.5
191.10693	36.7
191.14284	26.7
194.12961	4.8
204.70605	4.0
206.27150	4.1
209.04422	21.1
209.07970	31.3
209.09709	7.3
209.11549	25.0
209.13396	7.6
209.15317	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.0
55.01856	2.3
55.05502	18.7
56.85826	0.7
57.03424	0.8
57.07067	1.7
59.04984	2.3
65.03915	1.3
67.05498	3.8
69.03419	2.3
69.07063	6.6
71.04973	3.0
71.10678	2.2
73.51319	0.8
79.05488	7.1
81.03399	0.8
81.07056	5.3
83.04971	20.2
83.08605	12.1
85.06534	1.7
88.57011	0.9
89.06023	0.9
91.05463	6.0
93.07030	30.5
95.04957	58.2
95.08596	6.1
97.06509	2.2
97.10128	2.2
99.04435	8.9
103.05442	1.4
105.07024	4.9
107.04915	1.4
107.08581	29.0
109.06516	5.5
109.10152	7.0
111.04440	0.8
111.08073	2.9
115.07523	1.0
118.29317	0.7
119.08556	3.3
121.06489	1.4
121.10126	100.0
122.10464	1.5
123.08048	0.8
123.11671	3.3
125.09604	4.4
131.08595	1.1
133.10100	3.7
135.04382	1.3
135.08005	1.4
135.11696	3.6
142.06065	0.8
145.02701	1.0
149.02299	0.7
149.05959	2.2
149.09584	1.4
149.13206	2.1
151.11157	12.2
152.55357	0.8
153.05556	0.8
153.09074	11.0
158.39085	0.7
163.03915	5.0
163.07526	1.2
163.14803	17.1
167.14302	17.5
173.13271	3.1
173.56067	0.8
177.05435	2.0
181.04872	1.3
191.06993	1.4
191.10657	1.2
191.14290	8.7
191.15840	0.9
209.04402	2.8
209.06250	0.8
209.07988	1.6
209.11917	1.1
209.15335	21.0
211.68710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	4.4
55.01859	3.8
55.05502	8.1
57.03424	9.9
57.07060	4.5
59.04986	2.5
67.05490	11.0
69.03413	18.7
69.07054	11.5
70.79744	2.6
70.80140	7.5
71.04970	6.8
79.05487	8.7
81.03399	9.6
81.07040	16.5
83.04975	10.3
83.08609	4.5
91.05479	8.4
93.07035	8.0
95.04954	18.8
95.08582	16.6
97.06499	4.3
99.04441	4.1
103.05446	2.4
105.07000	9.7
107.08582	39.3
109.06519	19.0
109.10157	12.6
111.08167	3.0
119.08560	12.6
121.06477	8.7
121.10130	36.3
122.07273	3.9
123.08030	14.0
123.11697	6.5
123.69156	2.6
125.09622	7.3
131.08519	7.3
133.10127	6.3
135.08015	5.9
135.11671	8.7
135.63721	2.8
137.09657	12.6
137.13271	2.9
145.09982	3.5
147.11690	9.0
149.06009	3.9
149.09612	14.4
149.13266	19.1
151.11157	12.3
153.09088	7.1
163.14850	13.9
165.12741	100.0
165.14128	5.7
173.13283	15.1
177.05441	8.4
182.34018	2.5
191.14278	43.0
207.05872	2.4
209.04411	3.1
209.07881	5.3
209.15315	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.17754	1.6
53.03945	4.4
53.97626	1.7
55.01867	3.9
55.05506	100.0
57.03411	2.6
57.07070	2.5
59.04983	3.9
65.03925	1.7
65.63957	1.9
67.05495	12.2
69.03413	7.9
69.07063	8.9
71.01749	3.5
71.04980	8.0
79.05505	8.9
81.07047	16.7
82.06570	6.0
83.04973	95.0
83.08606	55.9
85.06559	4.3
87.25540	1.8
91.05470	5.9
93.07039	24.3
95.04958	81.7
95.08601	8.5
97.06544	10.0
97.10140	9.8
99.04449	14.7
99.24079	1.8
100.11242	21.6
105.07017	8.3
107.08584	38.3
109.06506	17.3
109.10142	28.6
110.06010	2.8
111.08077	13.0
112.08836	2.3
119.08549	3.2
121.06510	2.5
121.10133	79.2
123.08012	2.3
123.11689	12.4
125.09602	13.2
133.10149	12.9
135.08072	2.6
135.11670	3.5
139.08714	3.5
149.13225	8.8
151.11172	44.2
153.09065	18.9
162.43369	2.0
163.03865	3.3
163.14819	17.9
167.14304	70.4
173.13188	4.3
178.31776	1.9
191.14299	10.5
200.07249	1.8
209.15108	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	209.1533
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03929	2.3
54.89319	0.9
55.05503	38.8
57.03416	1.2
57.07055	1.4
59.04979	3.4
59.09073	0.8
60.92724	0.8
62.35768	0.8
65.03912	1.0
67.05497	5.0
69.03404	3.7
69.06763	0.8
69.07057	8.7
70.60024	1.8
70.60392	1.8
71.04960	2.5
79.05481	6.5
81.07030	8.4
83.04972	48.0
83.08604	21.5
85.06521	2.2
91.05455	4.7
93.07034	33.1
95.04955	42.6
95.08595	7.8
96.02785	0.8
97.06504	4.7
97.10170	4.5
99.04442	7.4
99.08037	1.1
105.07016	6.4
106.51082	0.8
107.07841	1.8
107.08576	33.6
109.06516	9.2
109.10134	13.8
111.08061	6.0
112.16224	0.8
115.07531	0.9
119.08555	3.2
121.10125	100.0
122.10490	0.9
123.08025	1.3
123.11685	5.1
125.09581	7.0
131.08545	1.7
133.10109	6.7
134.99510	0.8
135.08041	1.3
135.11694	4.5
149.13226	5.5
151.11154	22.8
153.09062	10.7
158.10933	1.0
163.14795	20.0
167.14297	31.6
173.13266	2.4
185.07896	0.9
190.85080	0.8
191.14259	8.4
209.15344	20.6
210.36131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.46693	1.3
53.03959	1.4
54.71465	1.3
55.01853	1.9
55.05508	72.9
57.03422	2.4
57.07067	2.0
59.04988	4.7
63.90004	1.5
65.61314	1.2
67.05495	9.7
69.03431	7.8
69.07068	6.1
69.75539	9.1
71.04986	3.8
73.03299	1.3
75.39518	1.2
79.05490	6.6
81.07057	14.7
83.04975	100.0
83.08613	39.1
85.02917	1.7
85.06530	4.4
91.05477	4.8
93.07061	9.5
95.04961	19.4
95.08589	9.7
97.06524	13.2
97.10159	12.5
99.04469	3.1
99.08097	1.7
105.07034	4.7
107.08591	22.3
109.06509	38.3
109.10144	29.2
111.08064	10.5
112.08806	1.4
113.09664	2.5
117.06982	1.4
121.10135	17.1
123.08151	3.1
123.11697	15.6
125.09624	17.8
131.08575	3.3
133.10117	9.8
135.08076	4.1
149.09624	4.1
149.13272	8.3
151.11174	44.2
153.09091	11.8
154.30496	1.3
154.67310	1.3
163.14865	2.0
167.14307	77.3
173.13290	3.5
191.14267	7.4
209.15343	29.0
209.17310	1.8
214.27338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.79399	2.4
52.12011	2.6
53.03942	4.3
54.83389	2.8
55.01854	11.9
55.05506	28.7
56.96547	11.2
57.03417	9.6
57.07051	5.7
59.04976	9.0
67.05199	3.4
67.05502	30.1
69.03417	21.9
69.07064	21.0
69.29769	30.9
71.04984	16.2
76.48798	2.7
79.05499	19.3
81.03411	5.3
81.07056	28.0
83.01334	15.7
83.04981	27.5
83.08617	14.1
85.02895	4.9
85.06517	8.3
91.05473	28.9
93.03336	3.2
93.07041	42.5
93.61683	2.6
95.04963	44.3
95.08601	18.9
97.02885	5.4
97.06513	23.6
97.10194	3.1
97.50799	2.8
98.21478	7.3
98.97535	2.8
99.04456	17.3
99.08083	11.7
103.05462	6.8
105.07019	27.0
106.04156	3.9
107.04965	4.8
107.08585	80.6
109.06532	30.7
109.10149	40.3
111.08078	12.6
115.05485	3.6
117.06988	8.3
119.04942	11.4
119.08576	16.6
121.06509	17.9
121.10136	66.4
123.08066	21.9
123.11681	11.0
125.05976	5.5
125.09615	20.9
131.08528	11.8
133.10133	25.2
135.08043	27.4
135.11696	19.4
137.05975	3.8
137.09608	12.7
139.06606	3.1
139.07506	17.9
139.11147	13.0
143.00124	3.4
145.10120	15.4
147.04399	26.9
147.11681	8.4
149.05952	12.5
149.09624	17.8
149.13226	38.7
149.96071	2.8
150.06827	2.7
151.11176	23.2
153.09068	29.7
155.03712	6.7
158.10898	5.1
159.04907	6.7
163.07600	3.7
163.11189	19.1
163.14775	23.1
167.07005	7.8
167.14352	14.5
173.04794	5.4
173.13246	27.7
177.05479	10.2
181.04573	5.7
181.15858	3.1
191.07051	4.8
191.10776	6.6
191.14293	70.0
191.16020	4.3
209.04391	14.3
209.08037	8.5
209.11931	7.1
209.15350	100.0
219.01888	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.4
55.01852	2.2
55.05505	4.0
57.03437	4.3
57.07052	2.1
57.98208	0.7
59.04986	2.1
65.03923	1.3
65.29437	0.7
67.05211	0.8
67.05494	8.3
67.43842	0.6
69.03416	2.6
69.07062	5.9
70.66853	1.5
71.04985	5.1
79.05485	14.7
81.07049	20.3
83.04963	4.2
83.08615	4.4
85.02879	1.1
85.06532	2.7
87.95229	0.6
91.05468	12.1
93.06455	1.2
93.07032	17.1
95.04956	31.0
95.08591	7.7
97.05893	1.4
97.06519	26.9
99.04449	6.7
99.08078	0.9
103.05455	1.3
105.07020	12.2
106.04158	1.6
107.04946	1.1
107.07845	1.4
107.08580	21.9
109.06505	100.0
109.09444	1.3
109.10144	19.4
110.06839	1.0
111.08033	4.3
113.02357	1.1
113.05978	1.1
115.05447	2.6
117.07011	4.9
119.08567	8.0
121.06485	8.5
121.10129	22.2
123.08051	5.5
123.11690	2.4
125.06010	1.0
125.09602	2.6
131.08566	5.8
131.71477	0.7
133.10118	23.3
134.10435	0.9
135.08037	15.6
135.11649	3.3
137.09589	1.8
139.07582	0.7
139.11180	1.0
145.06471	1.5
145.10107	4.2
146.52261	0.6
147.08015	0.9
147.11667	2.7
149.05945	2.8
149.09621	4.2
149.13234	5.2
151.11185	4.3
153.09079	25.3
158.10870	1.4
163.07526	3.5
163.11137	4.2
163.14818	5.5
165.12755	0.6
167.14281	1.7
173.13248	8.4
177.05467	2.0
181.08531	1.0
191.10669	1.8
191.14278	18.0
206.39108	0.7
209.04445	1.5
209.07964	1.0
209.11765	1.3
209.15353	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.01744	1.2
53.03935	2.1
55.01859	4.6
55.05505	74.9
57.03434	4.3
57.07077	2.6
59.04993	4.3
62.34704	1.3
67.05492	9.4
69.03418	9.4
69.07063	8.3
70.58373	2.2
70.58745	2.8
71.04973	4.7
79.05489	9.5
81.07045	15.7
83.04973	100.0
83.08608	37.0
85.06550	3.9
91.05477	7.8
93.07034	17.3
94.04152	1.4
95.04957	11.6
95.08581	8.5
97.06526	9.9
97.10151	8.1
99.04436	3.4
105.07028	17.8
107.08582	26.8
107.09278	2.3
109.06509	13.6
109.10134	22.8
111.08073	10.8
113.09624	1.8
117.07040	2.4
119.08539	6.9
121.06486	6.8
121.10119	19.4
123.08080	3.4
123.11691	13.5
125.09605	14.7
130.07735	2.5
131.08583	2.8
133.10114	6.9
135.08055	8.5
135.11700	4.5
137.09599	3.9
145.10085	7.9
149.05940	2.3
149.09607	4.0
149.13240	11.6
151.09933	2.1
151.11160	37.4
153.09106	3.5
163.11160	12.9
163.14815	3.5
165.12791	1.8
167.14301	71.6
173.13307	4.3
191.10652	5.7
191.14290	10.7
201.44814	1.3
209.11771	2.6
209.15331	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05493	6.1
59.43782	1.7
67.05505	2.0
69.03417	7.1
69.07062	2.3
70.67699	4.9
73.93484	1.7
79.05468	9.6
81.07032	13.1
91.05473	11.6
93.07029	5.4
95.04969	4.1
95.08608	3.7
96.09671	1.7
103.05455	1.8
105.07042	9.5
107.04926	3.4
107.08595	26.7
109.05212	1.8
109.06507	11.6
109.10151	8.0
115.05434	3.2
117.07043	4.4
118.00420	1.9
119.08513	2.4
121.06471	3.2
121.10125	18.4
122.07261	9.0
131.04936	3.5
131.08537	3.3
133.10115	100.0
134.10449	2.9
135.08041	27.4
135.11658	3.1
137.09605	73.1
145.10086	2.6
149.05986	4.3
149.13246	16.8
151.11118	1.8
159.04420	3.0
163.14867	3.7
173.13315	4.8
177.05473	12.7
191.14291	6.2
209.15315	3.1
223.67952	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01857	2.4
55.05514	6.5
57.03421	1.0
57.06845	1.0
57.07071	8.7
59.05008	1.4
65.03911	1.5
67.05504	10.4
68.29021	1.0
69.03055	1.5
69.03416	19.7
69.07055	5.9
69.90601	2.6
69.91022	3.0
70.37236	1.0
71.04981	1.7
73.40479	0.9
79.05481	7.8
80.66364	0.9
81.07050	14.6
83.04977	16.7
83.08608	2.3
85.06534	8.5
91.05472	9.1
93.03413	1.2
93.07041	8.1
95.04939	2.9
95.08598	11.7
97.06530	4.7
99.08087	1.6
103.05470	1.6
105.07017	7.6
106.04134	3.2
107.04909	1.1
107.08584	30.2
109.06510	14.4
109.10145	4.4
111.04430	1.7
111.08087	9.6
119.08567	5.4
119.89874	1.1
121.06500	6.8
121.10136	13.0
123.08033	7.0
123.11692	6.1
125.09618	64.6
131.08546	7.1
133.10107	9.8
135.08043	18.3
135.11652	7.3
137.13232	1.2
139.07512	1.6
143.08472	1.3
145.10109	3.8
147.11681	5.3
149.05948	4.9
149.09618	8.1
149.13246	10.5
150.10371	2.5
151.11197	5.4
153.09126	15.4
156.01285	1.0
158.10912	4.7
159.92148	0.9
161.09647	1.5
163.11195	6.4
163.14799	6.2
165.12749	16.9
173.13254	19.0
176.11926	2.2
177.05458	2.6
181.08560	1.1
191.14288	100.0
192.14638	1.3
209.04453	2.3
209.08054	2.5
209.15347	94.7
210.15730	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.2
55.01860	2.4
55.05507	3.0
57.03428	0.7
57.07072	5.0
65.03922	0.9
67.05499	3.6
69.03418	2.0
69.07061	3.2
69.30862	5.8
71.04982	2.4
75.04462	0.5
78.04722	0.7
79.05484	6.1
81.07043	7.1
83.04977	2.8
83.08605	2.3
83.38937	0.5
85.06523	1.0
91.05468	5.4
93.03384	2.0
93.07033	5.9
95.04960	4.5
95.08596	6.5
97.06519	2.4
97.10113	0.5
99.04463	0.7
103.05457	1.3
105.07042	3.7
106.04144	3.0
107.04939	1.5
107.08584	7.0
109.06507	100.0
109.10143	7.0
110.06841	1.5
111.04425	0.5
111.08073	1.3
113.09663	0.5
117.06989	0.8
119.06032	0.5
119.08584	2.0
121.06496	5.9
121.10135	4.6
123.04510	0.5
123.08047	9.3
125.05996	1.6
125.09637	1.0
131.04907	0.9
131.08559	5.2
133.06517	0.7
133.10127	4.6
134.03609	0.6
135.08043	19.2
135.11693	1.2
137.05966	0.8
138.06761	0.6
139.07530	1.0
139.11168	0.9
143.08601	1.2
145.02811	0.9
145.10109	2.0
147.04306	0.5
147.08018	0.5
147.11678	1.1
148.08788	1.0
149.05969	5.5
149.09610	3.8
149.13231	2.2
150.10387	1.1
151.03909	0.6
151.07530	0.6
151.11159	5.1
153.05547	0.9
153.07016	0.6
153.09108	5.9
158.10905	1.1
161.09683	0.6
163.03963	0.6
163.07515	0.9
163.11169	1.0
163.14803	0.8
165.06909	0.6
165.12761	1.0
166.07652	0.7
167.14328	1.2
173.13252	5.2
177.05452	3.1
181.08588	1.0
181.10030	0.5
191.06987	1.2
191.14287	18.4
200.99571	0.5
209.04417	1.4
209.08040	1.8
209.09828	0.8
209.11632	0.9
209.13441	0.6
209.15346	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.7
55.01855	1.5
55.05506	7.3
56.27492	1.1
57.07059	1.5
59.04976	1.0
59.59616	1.0
61.92477	0.9
63.00198	0.9
65.14847	1.1
67.05499	6.9
69.03419	9.4
69.07058	14.3
70.18169	1.6
70.18516	4.1
71.04996	7.4
75.96912	1.0
79.05478	8.5
81.03415	1.1
81.07050	13.7
83.04965	16.8
83.08590	6.4
85.06525	1.7
91.05447	8.9
93.03384	2.2
93.07040	10.8
95.04954	23.5
95.08591	24.2
97.06526	8.2
97.10166	1.6
99.04438	3.8
99.08108	3.3
103.05458	2.2
105.07014	9.9
106.04163	4.8
107.04935	2.6
107.08576	35.8
109.06507	11.6
109.10133	15.8
111.08053	4.7
115.88411	1.0
117.07065	1.3
119.08561	4.0
121.06512	9.2
121.10126	33.4
123.08080	5.3
123.11691	4.0
125.06013	1.9
125.09602	9.5
125.16647	1.1
131.08546	5.5
133.07547	1.5
133.10107	15.7
135.08028	11.1
135.11641	6.2
137.09616	2.7
139.07579	1.1
139.11143	4.3
143.08562	1.6
144.27428	1.0
145.10100	4.1
147.11676	9.4
148.08919	1.2
149.05974	5.7
149.09586	10.1
149.13235	15.0
151.11157	100.0
153.09087	5.2
158.10892	4.0
163.11162	1.3
163.14819	10.2
165.12721	5.8
167.10599	1.4
167.14323	4.0
173.13239	13.8
177.05482	2.9
181.08577	1.4
191.07054	1.1
191.14282	45.7
209.08084	2.2
209.15324	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.8
55.01856	4.3
55.05260	2.0
55.05507	33.8
56.96552	2.4
57.03415	4.7
57.07048	2.3
59.04985	3.4
67.05496	8.6
69.03404	6.1
69.07063	11.9
71.04985	9.5
71.46941	2.9
71.49529	1.3
76.46323	1.3
79.05476	12.9
80.46954	1.3
81.03403	1.5
81.07049	16.5
83.04976	42.0
83.08205	1.6
83.08611	18.8
85.06526	1.6
89.03874	1.6
91.05467	12.7
93.06465	2.7
93.07029	34.4
95.04964	53.4
95.08595	10.1
97.06510	6.9
97.10147	3.4
99.04427	9.0
99.08079	2.6
103.05415	2.8
105.06998	10.5
107.04956	3.9
107.08582	41.5
109.05789	2.2
109.06506	36.2
109.10142	18.1
111.08073	7.4
117.06991	1.6
119.04900	3.3
119.08559	5.2
121.06486	4.4
121.10134	100.0
123.04398	1.7
123.08034	9.0
123.11674	6.3
125.09608	7.5
131.04964	2.1
131.08530	5.7
133.02786	1.5
133.10118	15.1
135.04408	1.2
135.08012	9.0
135.11656	4.5
137.09538	1.4
139.11139	2.0
145.10042	4.0
146.02563	1.4
147.04346	7.3
147.11638	3.6
149.05922	1.9
149.09575	3.8
149.13216	7.9
151.11168	18.9
153.05502	1.6
153.09085	20.2
163.03918	1.6
163.11148	2.3
163.14818	19.4
165.12743	2.0
167.07022	16.4
167.14314	32.0
173.13251	8.3
177.05484	2.8
191.14296	22.9
194.02087	2.5
209.04414	5.9
209.06216	1.5
209.08055	3.7
209.11732	2.2
209.13443	2.5
209.15338	33.5
214.91185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Anserinone B
Peak:m/z	Relative Intensity
53.03919	3.0
55.01857	2.7
55.05503	14.6
57.03432	8.6
57.07074	7.6
59.04990	8.0
59.56353	1.4
65.03921	4.7
66.82410	1.8
67.05496	60.0
68.99786	8.1
69.03416	7.5
69.07055	18.0
69.66452	11.0
71.04984	33.2
79.05470	12.6
81.03393	6.1
81.07046	41.8
83.04971	3.5
83.08604	12.2
85.02876	2.3
85.06532	100.0
91.05461	11.1
93.07027	23.9
95.04951	6.9
95.08596	31.9
97.06524	12.4
97.10094	3.2
98.20751	1.9
98.50663	1.5
99.04410	4.8
99.08080	11.2
103.05486	1.8
105.07011	11.6
107.08582	19.7
109.02862	1.8
109.06502	43.0
109.10139	15.6
109.49944	1.6
111.00775	2.3
111.04389	3.0
111.08070	5.0
113.09596	2.6
115.07544	6.4
119.08557	18.7
121.06466	3.2
121.10115	13.4
123.04411	56.6
123.08054	19.8
123.11694	37.2
125.09615	11.5
127.03912	13.2
127.07536	52.3
131.08655	1.6
133.10098	14.7
135.11674	37.7
137.02356	1.8
137.05956	15.6
137.09564	6.0
137.13258	4.1
139.03865	17.2
141.09062	3.3
141.12706	2.2
147.07993	3.2
147.11656	4.1
149.05930	4.5
149.13193	7.7
150.06731	1.8
151.03876	16.8
151.07509	17.1
151.11079	3.0
153.05389	6.4
153.12718	7.9
155.03378	38.2
155.07060	2.0
155.08383	2.0
155.10648	5.5
156.03548	1.5
157.10080	2.7
160.05180	2.3
161.66531	1.6
164.04631	7.5
165.05397	4.2
165.09103	23.9
167.07036	7.4
168.07845	1.7
169.04869	2.9
169.08559	8.1
169.09973	2.8
175.07463	11.3
175.14796	20.5
177.00714	1.6
179.07014	10.9
183.11681	2.1
193.08578	95.7
193.15857	10.5
211.07677	3.2
211.09593	61.8
211.11139	2.2
211.15053	3.2
211.16896	32.6
224.37457	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	211.0963
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
52.59462	0.2
53.03933	0.4
55.01864	0.7
55.05497	1.0
57.03417	0.3
57.07067	4.8
59.04989	1.3
65.03927	0.6
67.01855	2.6
67.05497	3.9
68.99766	2.6
69.00105	0.3
69.03405	0.9
69.07052	0.4
69.76442	1.0
69.76849	0.3
71.01336	0.5
71.04972	0.5
75.55499	0.2
77.03894	0.2
78.51485	0.2
79.05487	0.7
81.03417	1.8
81.07041	1.0
83.04959	0.7
85.02904	0.8
85.06528	3.1
89.66655	0.2
91.05465	1.1
93.07030	0.6
93.80523	0.2
95.04960	3.6
95.08605	1.1
99.04423	0.5
99.08080	0.9
103.05467	0.2
105.07005	0.6
107.04974	0.4
107.08585	0.4
109.02843	1.7
109.06487	1.8
109.10129	0.6
111.00795	0.7
111.04416	0.8
119.04913	0.3
119.08565	0.7
121.06503	0.7
123.04412	30.2
123.08011	0.6
124.04804	0.2
127.03898	8.8
127.07547	1.6
129.06978	0.4
133.02832	0.3
133.06471	0.5
133.10085	0.3
135.11700	0.3
137.02319	0.5
137.05920	2.1
137.09557	0.8
139.03880	25.1
147.08040	0.7
149.06032	1.1
150.03189	0.2
151.03882	36.5
151.07379	1.4
152.04196	0.7
153.01794	4.1
153.05449	3.7
155.03366	100.0
156.03758	1.4
164.04648	0.8
165.05460	3.2
165.06837	0.4
165.09094	3.2
167.07002	3.0
168.07782	0.4
169.03482	0.4
169.04945	7.1
169.08580	0.4
175.07495	1.3
178.06244	0.3
179.06970	1.2
181.08568	0.8
183.06531	0.3
193.08577	14.1
194.08830	0.4
211.09619	68.5
212.09964	1.2
221.27361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03951	5.5
55.01867	6.4
55.05503	39.6
57.03426	7.8
59.04982	1.4
65.03936	2.1
67.05495	28.9
69.03417	10.4
69.07052	9.8
71.04977	5.9
79.05041	2.1
79.05482	29.7
81.03407	100.0
81.07047	36.2
83.04971	48.5
83.08604	32.3
85.02915	2.3
85.06547	2.8
91.05468	35.7
93.07027	18.0
95.04954	35.4
95.08594	14.8
97.02875	3.9
97.06508	5.4
97.10139	6.8
103.22460	1.1
105.06357	2.4
105.07015	25.8
107.04939	7.9
107.08567	8.5
109.06493	7.4
109.10123	3.4
111.04446	3.4
111.08079	9.3
111.94662	1.2
115.05453	1.5
117.06999	2.1
119.08559	17.6
121.06447	2.6
121.10118	6.5
123.08062	4.8
125.09659	1.6
129.06984	12.3
131.08565	12.2
133.06468	2.6
133.10107	11.7
137.05984	1.7
137.09560	2.7
142.07768	3.3
145.10120	1.6
147.04472	1.2
147.08011	4.0
147.11647	12.0
147.12614	1.3
149.09625	6.2
151.07533	2.0
151.11156	1.3
155.08482	1.2
157.10114	16.0
164.28525	1.1
165.09309	1.2
165.12740	2.4
168.07782	1.1
169.10080	1.7
175.11172	15.9
179.06982	2.0
183.11610	1.7
193.04916	1.2
193.10406	1.8
193.12213	34.9
211.13176	12.4
211.14752	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	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.63399	2.6
52.00158	2.6
53.03923	6.3
55.01847	8.2
55.05502	38.9
57.03409	5.6
57.07042	2.6
58.32547	2.5
59.05000	2.9
60.82576	3.0
65.03928	3.2
67.05212	2.5
67.05500	29.2
69.03402	11.0
69.07043	10.3
71.04983	5.6
71.54305	4.4
79.05489	30.1
81.03410	100.0
81.07049	39.6
83.04972	55.7
83.08602	33.9
85.06498	3.5
91.00628	3.1
91.05465	31.2
93.07029	18.7
95.04960	34.0
95.08602	18.2
96.35961	2.7
97.02863	4.6
97.06530	3.8
97.10139	7.8
105.03377	2.6
105.07014	27.7
107.04919	9.9
107.08575	7.5
109.06496	9.1
109.10110	4.7
111.04359	3.5
111.08062	13.1
112.17708	2.4
119.08588	24.8
121.10117	10.0
123.08070	3.8
125.09647	3.8
129.06969	12.5
131.08577	12.7
133.06509	3.5
133.10117	12.8
139.25647	2.9
141.07030	2.6
147.11678	13.8
149.09593	7.0
151.07501	5.7
155.08549	4.9
157.10120	14.0
168.07971	3.0
169.09941	6.7
175.11179	17.6
179.07005	3.2
181.10023	3.3
186.24503	2.8
193.12186	33.7
196.12434	3.9
211.11304	6.8
211.13284	11.5
211.14801	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	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.03429	1.1
50.97222	1.0
53.03942	5.6
55.01873	6.4
55.05506	39.7
56.96547	1.7
57.03434	9.7
57.07062	2.2
59.04984	1.1
61.40499	1.0
63.17766	1.1
63.64518	1.0
67.05497	32.5
69.03414	8.6
69.07061	11.0
71.04987	7.9
79.05483	29.7
81.03407	100.0
81.07046	34.7
83.04971	45.6
83.08136	1.6
83.08609	31.8
85.02898	1.9
85.06517	3.1
91.05469	32.0
93.07028	16.6
95.04958	30.9
95.08593	15.9
97.02875	3.6
97.06503	5.4
97.10154	6.8
99.04424	4.7
99.08063	2.8
103.05449	1.2
105.06368	1.9
105.07015	22.7
107.04943	6.6
107.08606	8.0
108.22224	1.1
109.04779	1.1
109.06503	7.8
109.10126	3.9
111.04408	4.7
111.08064	13.5
113.06003	1.2
115.05432	1.6
117.06998	1.7
119.04944	1.4
119.08568	20.0
121.06526	2.8
121.10117	8.1
123.04366	1.7
123.08031	5.5
123.11685	1.5
125.06029	1.7
125.09562	2.5
127.07499	1.3
129.06990	9.9
129.55217	1.2
131.08551	12.4
133.06471	4.2
133.10110	10.8
135.11682	1.2
137.05922	3.7
137.09569	4.0
139.03886	1.6
141.05418	1.6
141.06882	1.2
142.07724	3.0
142.20192	1.1
145.10117	1.2
147.07983	4.7
147.11662	16.3
149.09599	6.1
151.03877	1.9
151.07520	5.8
153.05431	1.4
155.08481	2.6
157.10103	12.5
165.05421	1.5
165.12743	5.0
167.07045	2.5
168.07698	2.3
168.09236	1.9
169.10019	1.6
175.11186	13.4
175.14787	1.4
179.06938	3.7
183.06514	2.2
193.04918	2.5
193.12212	30.3
205.98648	1.2
211.05870	2.8
211.07748	1.6
211.11279	2.4
211.13136	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03938	4.9
55.01868	6.5
55.05507	46.3
56.96551	1.5
57.03199	1.0
57.03432	9.6
57.07064	2.6
57.94215	1.0
59.04987	2.2
65.03931	2.4
67.05497	37.2
69.03419	15.4
69.07059	12.0
69.83739	3.4
69.84151	2.1
71.04993	9.3
73.02878	0.9
79.05484	36.9
81.03408	100.0
81.07046	43.9
82.03737	1.0
83.04974	53.8
83.08609	35.2
85.02895	3.2
85.06519	5.3
91.05470	40.1
93.07034	23.9
95.04343	1.9
95.04957	38.5
95.08587	17.9
97.02870	3.4
97.06507	4.4
97.10171	7.8
99.04442	1.2
99.08087	3.3
100.61660	0.9
103.05427	2.1
105.04515	1.9
105.07020	29.9
107.04956	8.5
107.08576	14.6
109.06517	6.7
109.10149	9.5
111.04438	2.0
111.08067	13.7
115.05490	2.2
117.07012	1.9
119.04946	2.5
119.08572	23.6
121.06504	4.5
121.10110	9.4
123.04405	7.0
123.08087	5.3
123.11676	4.1
125.05962	1.7
125.09605	4.3
127.07540	1.9
127.11137	1.2
129.06984	12.4
131.08563	10.6
133.06482	3.8
133.10110	12.5
135.08002	1.3
135.11687	3.5
137.05916	5.2
137.09607	3.1
139.03888	3.8
142.07779	3.8
143.08591	1.2
145.10132	1.8
147.04315	1.0
147.08002	5.1
147.11670	14.4
149.05978	5.1
149.09618	6.9
149.13304	1.0
150.06667	1.2
151.03860	3.5
151.07495	9.3
151.11212	1.9
153.05457	2.6
153.06801	1.1
153.12801	1.1
155.03371	5.1
155.08533	3.1
157.10123	17.9
165.05496	1.6
165.09071	2.0
165.12700	3.6
167.07036	17.0
167.08420	1.8
168.07829	1.7
168.09329	1.4
169.08698	1.4
169.10150	3.3
175.07559	1.1
175.11176	15.8
175.14813	3.5
179.07021	7.6
181.08598	3.4
183.06586	1.3
183.11699	1.9
187.02898	1.0
193.05168	1.0
193.08557	3.9
193.10376	2.1
193.12219	39.5
194.08186	1.4
211.07729	2.1
211.09592	8.9
211.11270	2.1
211.13150	13.5
211.16757	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	3.4
55.01852	5.8
55.05504	22.5
56.96548	5.7
57.03420	6.5
57.07060	4.6
57.38453	1.9
59.04986	5.7
61.43223	2.1
65.03928	4.0
67.05500	61.3
68.99776	2.5
69.03425	13.0
69.07054	20.5
71.04985	22.2
71.52662	3.1
71.53030	2.6
79.05486	26.7
81.03412	14.4
81.07048	48.2
83.04971	17.3
83.08614	14.9
85.02901	3.5
85.06532	18.8
91.05473	27.4
93.07032	29.3
95.04968	19.5
95.08595	90.3
97.06512	8.3
97.10145	3.0
98.97549	2.8
99.04437	4.0
99.08083	7.8
105.03374	2.3
105.07017	33.8
107.04945	3.6
107.08585	59.7
109.06515	12.1
109.10140	100.0
110.10477	3.5
111.08083	19.2
113.09622	2.2
115.07553	18.3
116.98633	2.7
119.04940	2.9
119.08572	37.2
121.06448	4.0
121.10131	11.6
123.04401	26.4
123.08053	13.3
123.11700	11.7
124.25937	1.8
125.09622	7.8
127.03905	3.6
127.07491	2.8
129.06943	3.9
131.08562	2.7
133.06407	5.5
133.10114	25.4
135.04428	2.8
135.11667	42.8
137.05965	11.2
137.09599	74.4
137.13232	2.7
139.03859	7.4
139.11165	2.4
141.05397	2.8
142.07715	2.0
147.04361	5.1
147.07991	2.5
147.11671	12.1
149.05885	2.5
149.13251	5.4
150.06763	3.6
151.03937	14.7
151.07538	22.3
151.11134	8.6
151.14856	4.1
153.05534	4.2
153.06941	3.3
155.03377	21.7
155.08516	4.1
155.10657	2.4
157.10107	4.5
163.11174	1.8
163.14799	3.5
165.05447	4.4
165.06989	2.8
165.09042	4.7
165.12723	3.5
165.16335	2.7
167.07028	19.5
167.08423	3.2
168.05663	2.6
168.07722	4.4
168.09230	3.4
169.10089	3.8
175.11113	3.4
175.14813	31.6
177.00853	2.7
179.07022	37.0
180.07755	2.1
181.10059	3.9
183.06477	5.4
183.07983	2.3
183.11688	4.6
193.04964	4.6
193.08644	8.8
193.10205	2.5
193.12196	6.2
193.15886	65.0
196.08875	3.1
198.37604	2.2
201.90660	1.8
211.07567	5.2
211.09604	23.6
211.11201	5.4
211.13295	6.1
211.14856	5.4
211.16901	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	2.6
55.05503	15.8
57.07067	5.1
57.71356	1.7
59.04995	10.6
67.05499	23.7
68.44617	1.6
69.03423	4.5
69.07065	26.7
69.58743	11.5
70.81233	1.7
71.04984	35.0
79.05484	13.8
81.03410	4.4
81.07049	35.4
83.04958	2.3
83.08618	12.1
85.06528	8.2
91.05472	8.9
93.07026	28.2
95.04970	5.3
95.08593	100.0
97.06514	14.9
97.10160	4.3
99.04446	8.9
99.08082	6.0
105.07033	12.9
107.08569	27.0
107.71849	1.9
107.76377	1.8
109.06474	3.8
109.10139	33.4
111.08055	5.6
113.09610	2.9
115.07544	12.6
119.08558	30.8
121.10131	16.1
123.08062	6.2
123.11694	36.5
125.09605	5.7
133.10124	24.2
135.10655	3.5
135.11679	60.6
136.12056	2.2
137.05963	3.2
137.09595	10.9
139.11157	2.9
141.09077	3.3
141.12761	3.8
147.11678	2.7
149.13229	9.0
151.07443	4.1
151.14804	2.7
153.05397	2.0
153.12685	10.8
155.10634	4.4
163.14801	6.8
165.06915	4.2
165.09152	1.9
165.16397	3.1
167.07028	6.3
168.07712	2.0
169.06520	1.9
175.14804	36.0
175.16254	3.3
177.69102	2.1
179.07040	2.8
181.10063	1.8
181.15868	2.2
183.11696	2.2
183.86160	2.1
187.95410	1.7
193.04916	1.9
193.08443	2.1
193.15884	18.4
196.08955	2.1
200.26340	1.7
211.07584	4.4
211.11214	4.1
211.16902	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03928	0.8
55.01873	0.6
55.05245	0.9
55.05504	14.5
56.05845	0.5
57.03420	1.0
57.07071	4.0
59.04990	2.9
65.03912	0.7
67.05497	28.4
68.05856	0.4
69.03421	9.6
69.07061	15.9
71.04983	3.6
71.08612	1.4
71.11839	1.1
79.05489	5.3
81.03406	0.6
81.07051	27.6
83.04973	10.7
83.08614	10.3
84.08907	0.5
85.06525	3.8
91.05470	6.5
93.07035	11.1
95.04959	3.8
95.08598	43.3
97.06520	1.9
97.10161	2.9
99.08078	3.4
101.11517	0.5
103.05410	0.6
105.07024	9.1
107.07842	1.1
107.08585	27.9
109.06511	13.3
109.10144	100.0
110.10476	1.4
111.04417	0.6
111.08068	4.0
111.11720	0.8
113.09613	1.4
117.06982	1.0
119.05025	0.4
119.08571	24.8
121.10128	9.7
123.04417	4.0
123.08053	16.1
123.11700	9.9
125.09602	1.6
127.11190	1.1
127.72710	0.4
130.47279	0.5
133.09084	0.6
133.10118	21.9
135.11679	69.2
136.12062	1.1
137.05972	0.9
137.09598	15.3
138.10390	1.1
139.11205	2.5
140.37772	0.5
145.80707	0.5
146.46681	0.4
147.11681	1.7
149.13248	7.2
151.07532	2.7
151.11174	10.9
151.14807	10.7
152.15219	0.6
153.12685	2.8
165.12752	0.9
165.16400	2.4
167.07056	0.8
175.14813	19.8
176.15047	0.5
179.07039	5.4
183.15691	2.7
193.15860	14.5
211.09528	0.7
211.15091	0.6
211.16911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03923	5.5
55.01842	8.4
55.05503	34.8
56.96541	7.5
57.03410	7.6
57.07047	10.4
58.57674	2.2
59.05002	20.4
65.03926	2.8
65.93937	2.5
67.05502	30.8
69.03416	24.3
69.07063	37.0
71.01555	2.5
71.04985	83.0
79.05119	2.2
79.05483	26.4
81.03409	28.6
81.07052	68.2
83.04973	30.1
83.08608	32.9
85.02872	2.8
85.06532	13.1
91.05469	23.7
93.07036	53.6
95.04967	20.1
95.08597	74.9
97.06528	29.2
97.10122	6.7
99.04460	12.5
99.08072	19.1
103.05413	2.9
105.07016	28.4
107.04906	3.0
107.08583	50.1
107.18681	2.4
109.06518	11.1
109.09451	3.8
109.10145	48.1
111.04424	4.9
111.08066	11.1
113.09595	5.3
115.07533	9.4
119.04871	3.3
119.08569	44.2
121.06490	5.9
121.10139	33.9
123.04417	13.9
123.08035	12.8
123.11695	95.1
123.19565	2.3
125.05916	4.9
125.09581	9.5
127.03762	2.4
127.07553	3.8
129.07024	4.1
131.08539	4.5
132.27751	2.6
133.10112	49.8
133.21701	2.3
135.11681	100.0
137.05952	10.8
137.09563	12.8
137.13217	7.0
139.03859	3.5
141.09087	4.4
141.12692	10.5
145.10115	2.4
147.07962	3.2
147.11681	15.6
149.09547	2.8
149.13248	15.3
151.03836	11.1
151.07516	19.8
153.05443	6.2
153.06956	4.0
153.12744	18.6
155.03400	19.1
155.08504	5.4
155.10631	10.5
157.10118	3.6
165.05511	4.2
165.06937	3.5
165.09023	3.8
167.07033	36.8
167.08374	4.3
167.14204	7.9
168.07701	8.1
168.09209	3.6
169.05009	2.8
169.08533	2.5
169.10071	6.9
175.11134	4.7
175.14812	52.3
176.15135	2.9
179.07039	13.8
181.08545	3.5
181.10103	3.4
183.06442	6.7
183.11638	6.3
193.08539	6.3
193.10217	4.1
193.12154	9.9
193.15878	17.4
196.08868	4.0
196.12447	2.8
205.98724	2.8
211.05812	4.1
211.07533	5.1
211.09361	14.1
211.11179	8.9
211.13029	4.5
211.14841	12.1
211.16872	82.6
218.05276	2.2
218.77176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14301	1.1
53.03928	1.9
55.01855	3.9
55.05500	11.4
56.96555	2.3
57.03422	3.4
59.04987	1.6
65.03916	1.9
67.05499	23.9
69.03425	10.2
69.07070	9.2
70.06567	1.7
71.04980	7.6
71.08655	1.6
71.52274	1.9
71.52685	1.8
77.07358	1.2
79.05484	9.1
81.03399	2.8
81.07056	15.0
83.04965	10.0
83.08605	5.6
85.02895	2.2
85.06561	2.8
91.05471	16.9
93.07016	10.8
94.06570	1.7
95.04961	100.0
95.08588	20.0
97.02887	1.3
97.06533	3.9
98.97563	1.2
99.04437	4.4
99.08089	23.9
101.06018	2.0
103.05466	2.4
105.03362	1.6
105.07012	9.7
107.04948	7.0
107.08595	9.7
109.06510	11.2
109.10146	35.7
111.08083	3.5
113.05978	3.5
119.04939	11.4
119.08569	12.1
121.06493	5.9
121.10154	10.9
123.04413	5.6
123.08048	3.5
123.11713	7.2
125.06007	2.5
125.09607	7.0
127.07387	1.4
133.06419	2.7
133.10112	9.0
135.04378	1.8
135.11681	8.5
137.05960	5.2
137.09601	49.6
139.11172	11.3
146.99641	1.4
147.04402	2.0
147.11639	2.8
148.05119	1.6
149.05946	3.4
149.84975	1.4
151.07532	13.1
151.11166	4.0
153.05447	1.6
153.09052	6.0
155.07031	8.7
155.10648	23.1
155.87651	1.4
165.05534	2.7
165.06989	4.1
165.09079	1.7
165.12746	1.8
165.16431	1.5
167.07025	9.7
168.07784	4.4
169.12210	1.4
175.11140	3.7
175.14828	7.6
179.06964	7.4
181.08656	2.3
181.10225	1.5
183.06546	2.1
183.07986	2.1
193.04933	2.5
193.06764	1.5
193.08563	2.5
193.12212	5.0
193.15842	11.1
196.08913	1.4
209.74347	1.2
211.05844	3.0
211.07564	4.0
211.09468	2.6
211.11342	2.6
211.13322	4.9
211.16895	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01857	2.7
55.05505	11.7
56.96562	1.9
57.03437	3.8
57.07064	1.8
59.04982	2.5
65.03931	1.8
67.05499	21.8
69.03422	7.6
69.07059	7.1
71.01352	0.9
71.04983	10.2
71.53757	0.9
79.05489	6.3
81.03422	3.6
81.07049	15.2
83.04973	7.0
83.08617	5.9
85.02911	1.8
85.06541	4.2
91.05471	13.6
93.07033	12.2
95.04958	100.0
95.08593	20.7
96.05296	1.8
97.02881	1.7
97.06526	3.4
97.10147	1.1
98.97590	1.5
99.04449	5.5
99.08083	25.2
99.52036	0.8
101.05982	1.5
103.05467	1.0
105.03379	1.3
105.07015	7.6
107.04951	4.3
107.08577	11.0
109.02850	1.1
109.06503	7.7
109.10147	30.2
110.10516	0.9
111.05507	1.2
111.08088	3.1
113.05999	2.1
113.09595	1.2
116.92640	0.7
117.06924	1.0
119.04904	5.3
119.08576	9.7
121.06496	4.2
121.10133	8.8
123.04404	2.5
123.08052	3.9
123.11687	11.8
125.05963	1.8
125.09620	5.0
127.07507	1.7
131.08572	0.8
133.06523	1.9
133.10115	11.7
135.04361	1.3
135.08040	1.2
135.11667	9.8
136.05199	1.3
137.06013	4.4
137.09599	47.3
137.13141	1.0
139.11130	5.4
140.04677	1.2
141.05484	1.1
142.07713	1.0
147.04395	2.3
147.07988	1.0
147.11717	2.5
149.05980	2.5
149.09702	1.1
149.13249	0.9
150.06660	0.8
151.03902	1.8
151.07542	9.9
151.11157	2.5
153.05501	2.8
153.09119	2.1
155.07054	4.2
155.08575	1.3
155.10651	21.1
157.10173	0.7
158.99709	0.8
161.05960	0.9
165.05438	2.1
165.06993	2.5
165.09053	1.6
165.12724	1.7
165.16380	1.2
167.07034	6.0
168.07800	3.9
168.09113	0.8
175.11177	1.6
175.14760	7.5
179.07024	5.6
181.04974	1.3
181.08473	0.9
183.04424	1.2
183.06523	2.4
183.08028	1.1
183.11563	1.1
193.04965	0.8
193.08630	1.3
193.12222	3.5
193.15869	12.0
194.55092	0.8
196.07240	1.7
196.08864	0.9
205.98692	0.9
211.05841	3.7
211.07619	3.0
211.09592	2.9
211.11273	2.1
211.13339	3.4
211.16913	15.0
220.05486	0.8
231.78781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.14211	0.9
53.03935	2.8
55.01878	1.4
56.96549	5.3
61.02666	0.9
61.02927	9.4
65.03937	7.2
67.05491	3.1
70.02330	1.3
70.02734	4.1
70.06600	1.1
70.67960	0.7
71.01347	0.9
72.08163	1.1
73.23305	0.8
78.39730	0.7
79.00114	0.8
79.05491	20.7
81.03416	1.5
81.07058	1.3
85.02905	1.2
88.07626	1.4
89.03904	0.9
91.05487	5.2
93.03399	6.2
93.07031	1.1
94.04198	1.0
95.04961	7.2
98.20739	0.8
105.03393	2.1
105.04518	1.8
107.04945	28.7
108.02102	3.3
109.02875	1.8
109.06512	1.5
110.03652	26.4
111.04436	13.6
117.03411	1.3
119.04958	1.8
121.02913	0.9
121.06508	10.4
122.03630	6.7
123.04422	2.7
124.05203	1.7
125.05985	57.6
133.02853	13.8
135.04410	25.9
137.02264	1.0
137.05977	6.3
139.03914	1.1
139.07474	1.2
141.05493	4.4
143.00151	1.0
143.07063	0.8
148.97328	1.4
149.02386	0.9
149.05972	23.1
150.03111	12.0
151.03903	100.0
151.05002	9.8
152.04593	3.4
153.05470	13.0
155.01981	0.7
155.07085	1.3
157.06302	1.0
157.10127	0.9
162.03149	1.8
163.03888	7.2
165.05463	37.3
166.05820	1.1
167.03369	1.4
167.05559	1.1
167.07034	13.5
169.10170	0.9
170.99648	1.0
177.05470	17.9
181.04964	1.3
189.00714	1.7
195.06516	60.4
196.06927	1.4
198.05231	3.8
213.05464	3.6
213.07544	6.7
213.09319	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	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.95732	0.4
53.00290	0.6
53.03928	1.4
55.01845	1.6
56.96545	1.5
57.03413	0.7
66.04715	0.5
66.82452	0.4
67.05501	1.1
69.03416	0.7
69.07045	0.8
69.67509	2.3
69.67937	1.0
70.06570	0.8
71.04980	1.2
78.04715	2.9
79.05038	0.8
79.05486	11.1
81.04582	0.5
81.07039	2.8
83.04957	0.5
83.08629	0.9
85.02897	0.6
86.09684	0.5
88.07613	1.4
91.05473	6.7
93.07052	2.7
94.04203	1.2
94.49802	0.4
95.04945	5.0
95.08558	0.8
97.02880	0.5
98.20782	0.7
98.97591	1.3
99.04481	0.5
103.05465	8.8
104.35909	0.4
105.03360	0.5
105.04478	0.5
105.07023	8.2
106.04147	1.5
107.04945	58.2
107.08583	9.2
109.02883	0.6
109.06496	2.1
109.10142	1.3
111.04440	1.0
111.08059	0.8
115.05458	5.9
116.98595	1.5
117.06991	1.8
119.04921	1.3
119.08572	3.4
120.05725	2.3
121.06476	1.4
121.10134	5.1
122.03661	1.2
123.04419	6.8
123.08047	1.1
124.05173	3.9
125.06001	1.8
125.09650	0.5
128.06198	1.3
129.07001	2.0
131.04901	2.2
131.08539	1.9
133.02811	0.6
133.06477	1.3
134.99634	0.5
135.04384	0.9
135.08046	17.6
137.02350	1.2
137.05977	1.7
139.03851	0.8
139.07555	1.0
141.05943	0.5
141.06987	3.0
142.07773	1.1
145.07603	1.5
147.04381	1.4
147.08009	1.3
149.05969	1.1
149.09610	3.8
151.03908	4.2
151.07521	1.0
152.04697	5.3
152.05959	0.6
153.05351	0.6
153.09087	1.4
154.06255	2.5
155.06987	1.3
155.08401	0.7
157.06485	1.8
157.10158	0.9
158.34827	0.5
159.07993	0.6
163.07529	27.8
165.05496	1.0
165.06851	0.6
165.09106	1.1
167.07027	100.0
168.07367	1.9
169.06505	2.1
171.11646	0.6
177.09082	3.8
180.04170	0.7
180.07825	2.6
183.02890	0.7
185.05919	2.2
185.09634	0.7
195.06508	36.1
195.10153	17.4
195.11572	0.8
196.06886	0.9
196.10727	0.6
198.05220	1.8
213.05478	4.4
213.07178	0.7
213.09050	1.9
213.11124	12.2
213.12712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1271
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01855	1.0
55.05492	1.7
64.77044	0.4
67.05492	0.6
69.03425	0.5
69.07040	0.9
69.90857	2.1
74.76375	0.4
77.94762	0.3
79.05466	0.9
81.07061	0.6
91.05451	1.0
95.04984	0.6
100.28151	0.3
101.07294	0.4
103.05447	0.5
105.06992	1.3
107.04933	1.3
107.08574	0.4
110.69348	0.4
111.04449	0.9
113.69995	0.4
115.05454	0.8
117.06984	0.4
119.08556	1.5
121.06461	0.5
128.06210	5.2
129.07001	4.8
130.07816	0.5
131.08519	1.1
133.10127	0.4
139.07596	0.4
141.06975	3.9
142.06702	0.7
142.07756	5.6
143.08536	10.1
143.32336	0.4
145.06480	1.6
145.10068	0.9
151.03882	0.5
152.04546	0.5
152.06198	1.5
153.06955	3.0
154.07735	1.3
155.06085	0.4
155.08534	8.0
156.09329	5.9
157.06493	4.7
157.10115	11.6
158.07257	3.8
159.07994	1.7
165.06985	6.6
166.07784	0.5
167.08536	2.1
168.09335	0.5
169.06493	1.8
169.10098	2.2
170.07202	1.1
170.10886	9.2
171.08034	17.4
171.11674	6.7
172.08804	6.5
173.09625	1.9
179.08527	1.3
180.09308	3.2
181.10091	0.5
182.07275	0.8
183.08028	22.1
183.11620	0.8
184.08801	3.5
185.09595	7.7
185.13217	7.0
195.06509	7.8
195.08148	0.9
195.11708	4.3
197.09612	3.8
198.10374	21.7
199.10701	0.6
203.10760	0.4
213.12720	100.0
213.16281	6.8
214.13115	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03942	1.3
55.05258	1.0
55.05505	17.4
57.03420	1.2
57.07067	10.5
59.04986	0.7
61.94009	0.6
65.03947	0.7
67.05482	3.1
68.01342	0.6
69.03406	1.8
69.07068	3.2
70.24376	1.5
70.24755	2.3
73.65600	0.6
77.03931	0.8
79.05476	3.4
81.07039	5.6
81.69289	0.7
83.04971	8.8
85.06535	6.3
85.93818	0.6
88.07627	1.1
91.05473	3.9
93.07030	12.8
95.04953	1.8
95.08582	11.6
97.06522	4.8
105.07014	6.3
107.04940	0.9
107.08582	20.9
107.09289	1.5
109.06539	3.5
109.10145	2.6
111.04427	100.0
111.08040	3.9
112.04776	1.5
113.06003	2.1
117.07022	1.6
119.08567	2.5
121.06471	3.3
121.10143	3.6
122.07293	1.6
123.08020	0.8
125.05975	30.5
127.07532	3.6
129.06941	1.2
130.07799	1.5
132.09280	0.7
133.10068	0.7
135.08038	15.0
135.11673	24.0
137.13261	2.2
139.07521	5.4
143.08568	2.3
145.09029	1.1
145.10107	17.8
148.08852	0.7
151.03867	1.2
153.12746	5.4
157.10123	2.0
163.11159	23.3
171.11649	1.7
171.36612	0.7
181.12206	43.5
182.12624	1.2
195.06500	13.9
195.08183	0.8
195.13800	4.5
198.10327	0.8
213.12738	2.4
213.14481	1.0
213.16327	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	213.1482
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03926	4.5
55.01864	7.2
55.05503	17.5
56.96557	11.9
57.03427	2.7
57.07056	2.0
59.04994	1.5
65.03923	1.7
66.77474	1.4
67.05503	12.9
69.03413	11.5
69.07059	13.4
70.06586	1.6
71.04987	17.1
71.56194	2.0
73.06552	1.7
79.05486	19.7
81.03409	2.7
81.07053	26.3
81.39543	1.3
83.04938	3.5
83.08611	10.5
84.95982	1.9
85.02891	7.9
85.06532	55.1
87.04455	2.0
88.07633	3.8
91.05464	8.2
93.07033	27.8
94.04175	1.7
95.04966	7.1
95.08597	12.4
97.02868	4.5
97.06518	29.8
97.10137	11.5
98.97558	4.8
99.04412	3.6
99.08050	2.0
103.05493	1.7
105.04485	1.4
105.07002	7.2
107.04942	12.0
107.08581	26.2
107.92117	1.3
109.06466	3.4
109.10149	9.4
110.97620	1.6
111.08054	4.7
115.05445	3.2
116.98601	4.7
117.06987	2.8
119.08550	8.5
121.06457	1.9
121.10126	36.3
122.03596	1.4
123.04412	3.8
123.11704	4.3
124.05181	1.9
125.05962	1.7
125.09627	7.6
127.03905	1.4
128.06195	5.1
128.98576	1.7
129.06979	4.8
131.00122	1.2
131.04930	1.3
131.08565	3.6
133.10117	1.9
134.99603	3.6
135.04448	1.5
135.08017	5.0
135.11649	3.5
137.02237	1.4
137.09593	2.4
137.13264	1.7
139.07506	3.0
141.06940	3.9
142.07750	9.0
143.08595	6.4
146.99629	2.5
147.11696	1.8
148.97365	1.9
149.09573	1.9
149.13251	18.6
151.03905	8.1
152.04663	7.7
152.06053	2.9
153.00702	1.9
153.07008	1.7
154.07718	1.9
155.07021	2.6
155.08525	5.1
156.09344	3.0
157.06508	2.4
157.10118	10.5
159.11693	7.9
163.07504	3.4
163.11145	2.4
165.06972	4.2
167.07022	16.5
167.08545	5.8
167.14320	5.4
169.09993	2.0
170.07253	2.9
170.10866	2.9
171.08073	4.4
171.11659	4.8
177.00684	1.8
177.12764	11.2
177.16338	2.9
180.09291	4.8
183.03004	2.6
185.09624	11.7
185.13219	5.1
195.06505	100.0
195.07935	4.2
195.11694	4.5
195.13776	14.1
196.06909	2.9
198.05208	7.1
198.06833	2.4
198.10382	3.1
213.05524	2.1
213.07231	1.7
213.09157	21.2
213.12698	16.1
213.14790	13.3
213.16408	5.0
223.69058	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	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.10825	2.1
51.85545	2.6
53.03923	8.3
55.01848	7.3
55.05253	4.1
55.05499	43.3
56.96311	2.8
56.96554	22.6
57.03421	5.5
57.07067	11.7
58.68316	2.2
59.04993	2.8
59.89568	2.1
60.09489	2.1
65.03909	2.2
66.66266	2.2
67.05494	28.2
69.03421	23.1
69.07053	83.4
69.89609	11.9
70.06605	2.1
71.04984	21.3
71.06921	2.3
79.05482	30.5
81.03394	5.2
81.07041	62.5
83.04967	8.9
83.08610	21.5
84.96008	2.2
85.02882	11.9
85.06531	33.3
85.10164	5.0
88.07600	4.5
91.05463	13.6
93.07024	50.6
95.04955	6.0
95.08587	100.0
97.02865	7.1
97.06490	11.2
97.10153	20.5
98.20733	4.2
98.97562	12.4
99.08071	21.7
103.05429	2.4
105.04472	2.5
105.06983	14.2
107.04937	21.6
107.08572	80.0
108.08890	4.0
109.02855	2.8
109.06479	6.5
109.10130	32.5
111.04408	3.6
111.08067	7.3
111.11691	10.7
111.52749	2.2
113.09616	11.4
116.98595	11.7
117.07013	2.5
119.04930	3.2
119.08556	4.9
121.06504	3.6
121.10115	66.5
123.04433	5.1
123.11681	12.3
125.04955	2.5
125.05921	4.0
125.09592	6.0
127.03959	3.2
128.06210	2.8
128.98561	3.3
129.06989	6.5
131.08530	2.9
133.10114	2.4
134.99591	5.3
135.08035	5.6
135.11650	47.0
137.12283	2.9
137.13228	29.6
138.15439	2.1
139.03873	3.7
139.07515	4.2
139.11133	9.8
141.06946	3.8
142.01895	2.1
142.07739	9.7
143.08546	7.7
146.99597	6.4
149.13240	12.1
151.03867	9.6
151.06554	2.2
151.14767	5.0
152.04671	8.5
152.06133	3.6
153.12680	14.8
155.08469	5.9
156.09320	4.7
157.06470	3.7
157.10132	15.2
158.57013	2.2
161.01239	3.4
161.09486	3.4
163.07526	5.5
163.11139	5.9
165.06981	10.6
167.06996	32.3
167.08540	6.4
169.06410	2.6
169.10112	4.2
170.03624	3.0
170.07268	3.4
170.10851	14.4
171.07951	2.9
171.11697	4.2
172.08829	2.6
177.00658	3.9
177.12785	2.3
177.14810	2.4
177.16359	50.7
180.09306	11.0
183.07979	3.5
184.05066	4.3
185.05888	3.9
185.09589	8.6
185.13223	8.0
195.04697	4.5
195.06490	92.7
195.07965	4.3
195.10086	3.6
195.11685	8.4
195.13686	3.6
195.17432	14.1
198.05215	5.6
198.06764	2.6
198.10397	8.3
213.05482	16.0
213.07437	2.5
213.09171	22.4
213.12741	32.4
213.14616	3.4
213.16402	5.5
213.18303	4.6
219.01631	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	214.1071
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
53.03928	6.0
55.01863	8.8
55.05494	3.2
56.05024	24.8
56.96559	68.5
57.03426	27.2
57.05804	2.4
58.06591	96.8
58.70849	1.4
58.99837	1.8
60.95849	1.5
61.02917	25.7
62.03241	2.3
65.03920	5.2
67.05499	13.3
68.05006	2.9
69.03420	18.7
69.07055	2.4
70.06576	4.3
70.98095	2.1
71.13074	3.5
72.08141	2.5
73.02914	17.7
74.06068	3.5
74.97616	2.0
79.05480	52.0
80.05022	3.0
81.03395	5.8
81.07042	26.5
82.06557	2.9
83.04964	12.3
84.96005	7.3
85.02891	23.1
86.06050	4.7
87.04443	1.6
90.01550	1.9
91.04959	2.1
91.05471	24.4
92.01285	2.2
93.03392	7.0
93.07038	15.4
94.06539	7.0
95.04955	26.3
95.08601	2.8
96.01522	2.0
96.08104	3.7
97.02870	16.9
97.06519	9.0
98.01285	2.6
98.03165	1.5
98.21450	1.9
98.97575	33.9
99.04426	3.5
100.99150	10.4
101.00869	9.9
101.02404	2.7
102.01512	1.8
102.02348	1.5
102.96829	3.0
104.01254	2.9
105.03382	2.7
105.07025	11.1
106.06542	1.7
107.03433	5.4
107.04942	27.0
107.08583	2.8
108.08105	7.0
109.02867	5.0
109.06490	11.4
110.01243	2.6
110.06019	4.4
110.51400	2.1
110.97530	12.9
111.02006	1.7
111.04422	7.8
111.05569	1.7
112.07594	5.1
113.02388	3.8
114.96868	2.6
115.02456	2.7
115.05427	7.1
116.01257	1.8
116.98627	16.3
117.05709	6.8
117.07021	14.8
117.98914	2.1
119.00142	6.3
119.01875	33.1
119.04923	6.6
119.51977	3.7
120.01980	2.8
120.08065	2.2
120.97913	2.0
121.02853	3.9
121.06467	5.6
122.06006	3.4
122.09641	4.7
123.04415	6.2
123.08000	3.5
124.07561	7.4
124.08368	1.7
125.01763	4.0
125.02596	1.9
125.04499	13.2
125.05960	6.7
126.05491	2.8
126.97047	1.7
127.03883	6.0
128.02298	10.7
128.52483	6.3
128.98596	17.7
130.05061	2.3
131.01868	12.2
132.08070	18.3
133.01541	2.5
133.03430	6.2
133.05577	1.5
133.06468	9.1
134.02295	4.0
134.05946	3.6
134.09634	18.4
134.99623	4.8
135.03075	4.0
135.04356	8.1
136.01892	2.3
136.07564	3.4
137.01846	2.1
137.02870	5.0
137.05952	5.7
139.03883	9.2
139.07512	3.6
140.02248	3.9
140.07031	5.1
143.00148	3.8
143.01836	5.8
143.02818	4.0
144.98055	5.9
145.01540	1.7
145.03442	6.3
146.99599	17.6
147.01341	2.0
147.03055	2.7
148.06061	8.2
148.07504	4.7
149.02885	2.3
149.06003	1.9
150.09132	17.0
151.02501	1.6
151.03749	1.9
151.07509	6.0
152.02307	2.4
152.07045	10.0
152.10663	2.1
153.05447	9.1
154.08640	2.5
155.01776	2.3
156.03578	2.3
158.99635	5.6
160.06377	2.6
160.07558	20.5
161.01187	5.1
161.02901	14.9
161.05966	5.9
162.03093	1.6
162.99167	10.7
163.02586	2.2
165.00659	11.8
166.08557	2.4
167.02800	2.4
167.07030	2.0
168.10233	6.1
169.03557	3.3
170.03346	7.0
170.99658	3.7
173.01421	1.8
173.02927	9.5
177.00670	7.2
177.02115	2.0
178.08632	28.2
179.02246	2.4
179.07027	4.6
181.00119	3.5
182.03348	5.0
183.01767	4.7
185.02841	3.0
186.11195	4.5
187.04434	3.0
189.00661	10.2
190.96521	1.5
190.98586	10.5
191.02386	1.9
191.03979	3.1
193.00023	3.4
196.06923	2.3
196.09648	39.2
197.07996	4.4
197.09828	1.8
198.04774	2.3
201.00702	5.9
206.04387	3.3
207.01740	2.6
208.99635	13.2
214.07419	5.4
214.10706	100.0
215.00246	4.5
215.11086	2.1
219.01768	6.4
223.86235	1.9
231.70042	1.7
232.08577	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	215.1641
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03934	1.8
55.05247	1.5
55.05504	22.0
55.96976	0.9
57.03430	1.2
57.07064	5.3
65.03914	0.9
66.91869	0.9
67.05499	49.9
69.03428	1.6
69.07067	13.2
70.74046	2.1
71.04987	5.9
76.04815	0.9
79.05487	12.7
81.03445	0.9
81.07050	100.0
82.07399	1.0
83.04984	1.9
83.08610	6.6
85.06538	3.7
88.00549	0.9
88.72680	0.9
91.05470	9.3
93.07040	12.0
93.13580	0.9
95.04944	2.2
95.08599	68.3
97.02859	1.4
97.06513	2.7
97.10163	5.4
99.08087	2.4
105.07033	11.8
105.48039	1.2
107.08569	5.3
109.06513	1.3
109.10139	8.6
111.08092	1.0
113.05961	1.0
117.06996	1.9
119.08556	14.0
121.10116	3.3
121.57914	1.0
123.08039	3.9
127.07549	1.3
129.06932	0.9
131.08539	3.8
132.95833	1.9
133.10103	7.1
135.11694	12.1
137.13242	92.5
138.13643	1.5
143.08504	1.4
144.08049	1.3
145.10141	4.7
150.96896	6.7
155.08560	1.1
157.10091	1.8
159.08141	1.4
159.11653	5.5
161.13255	15.4
167.08415	0.9
169.10110	1.9
173.02298	4.7
173.09589	3.3
173.13220	2.9
179.14294	9.0
187.11041	1.4
187.14810	1.4
191.97089	1.8
197.09705	1.4
197.13342	1.0
197.15276	2.1
198.18541	1.1
215.07053	3.3
215.10696	3.6
215.14310	6.6
215.17937	4.5
216.19585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.9
56.28759	2.1
56.96556	7.0
58.01886	2.7
59.04997	3.1
67.05488	2.9
69.03445	3.7
69.31204	2.7
69.31750	22.4
69.32064	3.1
70.06573	4.0
72.08144	10.3
73.02910	3.5
73.06562	3.5
81.03384	2.8
83.04974	48.4
85.06552	4.0
87.04475	5.7
89.02399	5.0
89.06024	10.4
98.84287	2.2
98.97580	8.0
99.04488	3.4
101.00842	12.2
101.06007	19.0
103.02451	10.1
111.04440	65.3
113.00826	2.4
113.05994	8.6
116.98602	5.8
118.68528	2.2
119.01907	95.6
120.02028	7.1
121.01670	4.1
121.03468	12.5
124.99128	2.4
127.02464	2.3
127.07552	9.9
128.07076	3.8
129.05470	25.7
131.01028	2.9
131.01889	11.3
131.03705	2.9
132.00006	4.3
132.01981	2.6
133.03506	3.5
133.10059	2.6
136.06017	2.5
137.02940	47.5
137.05988	2.8
138.03006	4.6
142.03534	3.9
143.00128	5.2
143.01941	4.7
145.03447	60.1
145.05203	7.3
146.01506	4.0
146.08092	2.3
147.01389	7.3
149.02966	7.7
150.03117	4.3
152.01558	9.8
155.01935	2.8
155.07018	100.0
156.97464	24.2
157.03493	2.6
158.01575	3.6
161.01189	7.0
161.02911	6.3
163.04510	45.3
166.01271	3.0
167.02219	2.7
168.05045	3.9
170.99055	7.1
171.01389	6.6
171.05026	3.3
173.02979	9.3
173.08104	46.3
174.98564	37.9
175.01807	38.3
175.04529	5.7
175.51933	7.5
181.01903	9.4
181.51953	3.0
182.02646	8.9
186.52580	4.9
187.04425	2.8
189.00050	12.4
189.02437	21.6
189.04092	4.1
189.06110	2.6
193.01871	3.2
194.00720	6.3
195.96169	2.2
196.02429	3.0
197.02902	3.3
198.98534	12.2
199.09673	4.2
199.14438	3.5
202.02625	4.9
207.03421	11.8
212.01718	7.0
212.04082	2.9
212.96075	2.7
216.96457	3.0
216.99684	29.2
217.01828	5.4
217.05089	7.7
217.07324	5.0
217.10695	36.0
217.15614	4.9
226.03430	3.8
235.02905	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	217.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.9
56.28759	2.1
56.96556	7.0
58.01886	2.7
59.04997	3.1
67.05488	2.9
69.03445	3.7
69.31204	2.7
69.31750	22.4
69.32064	3.1
70.06573	4.0
72.08144	10.3
73.02910	3.5
73.06562	3.5
81.03384	2.8
83.04974	48.4
85.06552	4.0
87.04475	5.7
89.02399	5.0
89.06024	10.4
98.84287	2.2
98.97580	8.0
99.04488	3.4
101.00842	12.2
101.06007	19.0
103.02451	10.1
111.04440	65.3
113.00826	2.4
113.05994	8.6
116.98602	5.8
118.68528	2.2
119.01907	95.6
120.02028	7.1
121.01670	4.1
121.03468	12.5
124.99128	2.4
127.02464	2.3
127.07552	9.9
128.07076	3.8
129.05470	25.7
131.01028	2.9
131.01889	11.3
131.03705	2.9
132.00006	4.3
132.01981	2.6
133.03506	3.5
133.10059	2.6
136.06017	2.5
137.02940	47.5
137.05988	2.8
138.03006	4.6
142.03534	3.9
143.00128	5.2
143.01941	4.7
145.03447	60.1
145.05203	7.3
146.01506	4.0
146.08092	2.3
147.01389	7.3
149.02966	7.7
150.03117	4.3
152.01558	9.8
155.01935	2.8
155.07018	100.0
156.97464	24.2
157.03493	2.6
158.01575	3.6
161.01189	7.0
161.02911	6.3
163.04510	45.3
166.01271	3.0
167.02219	2.7
168.05045	3.9
170.99055	7.1
171.01389	6.6
171.05026	3.3
173.02979	9.3
173.08104	46.3
174.98564	37.9
175.01807	38.3
175.04529	5.7
175.51933	7.5
181.01903	9.4
181.51953	3.0
182.02646	8.9
186.52580	4.9
187.04425	2.8
189.00050	12.4
189.02437	21.6
189.04092	4.1
189.06110	2.6
193.01871	3.2
194.00720	6.3
195.96169	2.2
196.02429	3.0
197.02902	3.3
198.98534	12.2
199.09673	4.2
199.14438	3.5
202.02625	4.9
207.03421	11.8
212.01718	7.0
212.04082	2.9
212.96075	2.7
216.96457	3.0
216.99684	29.2
217.01828	5.4
217.05089	7.7
217.07324	5.0
217.10695	36.0
217.15614	4.9
226.03430	3.8
235.02905	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	217.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.5
55.05504	45.1
56.05025	2.9
56.96291	4.2
56.96556	65.3
57.03418	6.1
59.04993	7.1
60.04512	6.3
60.05640	11.5
61.02917	11.1
62.44703	1.9
67.05489	8.8
68.05013	4.0
68.77881	1.6
69.03436	11.2
70.06586	86.1
70.98109	6.8
70.99867	1.6
71.04984	20.2
71.51878	4.1
71.95251	2.7
72.04514	4.0
72.08133	14.8
73.02900	1.9
74.02426	7.7
74.06074	9.6
74.97569	2.3
76.06320	1.8
79.05477	3.3
81.03416	3.7
82.06564	3.0
83.04974	62.7
83.08608	3.8
84.04498	5.6
84.08144	4.3
84.96016	5.1
85.02888	6.0
85.06561	4.2
86.06055	5.4
87.04450	8.9
88.07621	5.7
88.99149	4.0
89.02399	5.4
89.03917	10.0
89.06020	9.6
91.05464	4.4
93.03413	3.3
95.01299	2.1
95.04942	9.7
95.06107	2.4
96.04471	3.8
97.02872	4.3
97.07635	3.0
97.10229	2.1
98.06040	3.3
98.97579	25.3
99.04469	13.1
100.03989	2.1
101.00863	8.2
101.02382	1.9
101.06006	22.8
103.02370	2.6
105.06992	3.0
107.04958	4.3
108.08080	3.1
110.01239	2.0
110.06004	3.4
110.53428	2.1
110.97546	2.8
111.04427	75.8
112.07604	13.1
112.08730	12.8
113.05981	11.0
113.07109	7.7
114.05527	4.0
114.09098	6.0
115.08689	22.7
116.01318	2.6
116.07080	56.5
116.98608	18.0
117.03335	9.4
118.01038	2.6
119.01898	28.3
119.08587	2.4
121.01725	2.4
124.95459	3.2
124.99090	3.3
126.09176	2.0
127.03891	5.3
127.07522	10.2
128.98576	5.1
129.05467	17.8
129.80249	1.7
130.04948	1.9
130.09734	4.7
131.01920	3.1
133.01717	2.9
133.03419	6.0
134.99614	6.4
135.04376	15.6
136.07573	4.5
137.02910	6.5
137.05956	3.6
138.09126	4.3
139.03822	2.4
139.08641	2.8
141.01263	4.7
141.02328	2.1
142.96526	5.5
143.00104	10.1
143.01871	2.8
144.99788	2.6
145.01738	2.8
145.03670	9.4
146.99644	4.2
148.01962	3.2
148.03870	2.4
154.08629	2.7
155.07013	100.0
157.02548	3.1
157.09694	17.8
158.08107	56.5
158.09268	11.6
158.10300	3.1
158.99654	2.4
159.03217	2.7
160.97610	5.9
161.01208	7.6
161.02940	3.8
162.99174	2.3
163.03857	67.7
164.04349	2.2
165.00648	3.8
169.01668	3.7
170.99649	5.4
171.01292	2.5
171.04996	6.1
172.09666	3.3
173.02951	4.3
173.08075	53.7
174.99074	3.2
175.11891	15.1
177.00696	3.9
177.02467	1.9
185.01169	6.6
187.02733	4.7
189.00708	6.7
189.02440	6.2
189.06064	7.1
191.02290	2.5
191.03990	5.3
193.00185	7.9
199.09621	4.7
200.10541	12.4
202.02608	4.1
203.02277	4.8
205.00156	2.9
211.01062	2.1
213.00673	5.8
217.04970	8.5
217.06924	5.9
217.10703	42.1
217.12932	75.9
218.10277	7.8
227.13087	2.0
230.45096	1.9
231.01814	12.8
235.01259	2.3
237.00639	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	217.1584
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
53.03937	3.1
53.11795	1.5
55.01847	2.0
55.05256	3.2
55.05503	41.5
56.96071	1.7
57.07049	7.4
58.46726	1.8
59.04993	10.8
63.97975	1.9
67.05505	8.4
69.03418	7.5
69.07061	11.0
69.59969	13.5
71.04980	2.6
73.02887	2.5
79.05470	6.3
81.07050	12.1
83.04974	56.8
83.08588	5.4
84.13860	2.0
85.06517	12.6
87.04449	7.0
89.02367	5.1
89.06030	9.0
91.05471	16.3
93.07021	7.9
94.21078	2.0
95.04955	3.9
95.08590	9.5
97.06533	3.0
99.04485	2.6
100.28047	1.7
101.06012	24.3
105.06381	2.7
105.07022	37.9
107.08579	12.7
109.06506	6.6
109.10154	3.3
111.04426	76.7
111.05196	4.1
111.24649	1.8
113.06008	9.6
115.05461	4.3
117.07002	13.3
119.07768	3.1
119.08569	30.9
121.06496	5.2
121.10128	10.5
123.08035	2.0
127.07581	9.1
128.06198	5.4
129.05475	22.9
129.06985	9.8
131.08560	34.8
133.06480	4.3
133.10110	28.6
135.08069	3.7
135.11673	3.8
137.05981	2.6
137.09538	3.7
142.07791	9.6
143.08551	10.2
144.09334	3.6
145.06490	2.4
145.10117	13.4
146.07220	3.6
147.04376	2.0
147.08028	11.6
147.11716	11.4
149.09610	4.2
155.07013	100.0
156.09291	3.4
157.10098	32.2
158.10754	2.5
158.86464	1.9
159.08058	4.9
159.10443	2.9
159.11681	46.9
160.08792	4.2
161.05934	6.3
161.09586	22.5
162.06696	4.9
169.10100	2.6
170.10913	2.5
171.11661	9.3
173.08084	60.1
173.09502	3.2
173.13246	33.2
174.03116	4.0
174.10326	2.3
174.14026	31.1
175.07533	7.9
175.11180	27.6
175.14799	51.6
184.12463	2.7
189.09052	2.0
189.12759	4.9
189.16364	6.7
199.09608	4.4
199.14796	20.9
202.02589	14.5
217.04977	18.4
217.08731	3.6
217.10606	43.2
217.15845	70.7
218.11697	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	217.1585
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03944	1.3
55.05505	20.1
57.07056	1.9
59.04977	4.2
67.05495	8.8
69.03413	4.8
69.07059	13.5
73.12892	1.0
77.23059	1.1
79.05480	5.8
81.06641	1.1
81.07058	14.0
83.04977	19.9
83.08607	8.4
85.06528	2.4
87.04447	1.5
89.02402	1.1
89.05998	2.8
91.05478	10.4
93.07037	15.4
95.04955	4.5
95.08598	12.2
97.06499	5.1
99.04445	1.3
101.06033	8.1
105.07018	32.3
105.47343	1.2
107.08582	28.2
109.06480	2.5
109.10151	9.5
111.04434	24.3
111.08065	1.5
113.05967	2.1
115.05400	1.4
117.06985	4.3
119.08563	34.0
121.06512	5.3
121.10114	9.1
123.08018	2.9
127.07526	3.5
128.06209	4.3
129.05464	6.4
129.06952	3.6
131.08551	17.0
133.06503	2.5
133.10112	21.3
135.08044	8.2
135.11673	38.2
137.09563	2.5
142.07739	6.6
143.08530	10.5
144.09303	1.7
145.10106	9.1
146.07251	2.5
147.08023	11.0
147.11671	23.1
148.08812	2.3
149.09590	4.7
155.07005	33.5
156.09337	1.9
157.10101	18.6
158.10974	1.2
159.08043	2.0
159.11679	24.3
160.08791	1.9
161.09592	31.1
161.13234	5.2
171.11664	4.1
173.08095	19.2
173.09486	2.1
173.13268	10.2
174.14015	9.1
175.11176	24.7
175.14809	25.2
187.14665	1.4
189.09076	1.9
189.12764	2.9
189.16362	36.6
190.16647	1.6
199.09706	1.8
199.14824	12.1
201.36456	1.2
202.02554	4.1
210.13792	1.2
217.05026	5.5
217.08698	2.1
217.10638	15.4
217.15854	100.0
218.16136	1.1
229.30640	1.3
229.56039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
55.05503	9.4
57.07064	1.7
57.62494	0.7
58.51700	0.7
59.04993	4.6
67.05488	2.5
69.07053	6.8
70.77317	1.4
70.77679	1.3
71.04970	0.8
79.05474	3.5
81.07047	19.0
81.83096	0.8
83.04968	8.1
83.08595	1.8
89.02341	0.9
91.05476	9.2
93.07034	4.6
95.08589	8.1
97.06512	1.1
101.06018	2.4
105.07016	29.7
107.08587	15.0
109.06485	2.9
109.10127	3.0
110.77412	0.8
111.04433	10.9
111.08046	1.4
113.05957	1.2
117.07018	6.3
119.08568	22.0
121.06469	2.4
121.10133	2.5
123.07996	1.5
127.07523	1.6
128.06238	1.2
129.05434	1.3
129.06992	3.6
131.08551	21.7
133.06551	0.9
133.10109	21.0
134.10406	0.8
135.11649	3.1
142.07767	8.5
143.08540	5.4
144.09280	2.7
145.10107	9.1
146.10860	1.5
147.08037	6.7
147.11618	6.8
149.09576	2.4
155.07013	12.5
156.09311	3.6
157.10098	26.6
158.10805	1.3
159.08006	1.6
159.11674	31.4
160.12379	2.3
161.09583	8.3
169.10110	1.2
170.10851	1.8
171.11667	8.2
173.08064	4.9
173.13235	19.4
174.10374	2.7
174.14012	7.1
175.11217	15.6
175.14799	100.0
176.15128	1.6
184.12422	1.0
189.16339	5.1
199.14827	6.5
217.04965	1.1
217.10774	3.8
217.15846	53.0
218.16362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
55.05297	1.1
55.05504	12.3
55.19073	1.2
57.07055	1.6
59.04984	5.6
67.05486	3.2
69.03416	1.6
69.07069	8.0
71.04974	6.6
71.26758	3.1
79.05473	2.8
81.07048	12.3
81.87434	1.2
83.04970	14.8
83.08612	4.1
85.06519	4.1
87.04446	1.6
89.02410	1.8
89.06030	2.7
91.05472	8.0
93.07017	6.9
95.08581	6.8
97.06491	1.7
101.06001	5.3
105.07018	47.2
107.08575	14.4
108.29044	1.3
109.06470	1.8
111.04429	20.0
117.06987	9.7
119.04908	3.1
119.07774	2.4
119.08559	25.4
121.06509	3.1
121.10095	2.8
127.07522	2.9
128.06181	3.8
129.05473	3.3
129.06972	5.5
130.07814	1.6
131.08554	45.7
133.10121	20.9
135.07970	3.7
135.11696	3.6
142.07793	10.5
143.08554	21.7
144.09322	2.9
145.10117	17.9
147.08054	10.5
147.11665	5.5
155.07025	24.8
155.08279	2.6
156.09349	4.1
157.10106	31.4
159.08150	1.4
159.11678	54.0
159.12999	2.6
160.12245	1.5
161.09558	8.8
171.11652	5.5
173.08121	13.5
173.09546	1.7
173.11739	2.0
173.13245	38.7
174.10396	2.1
174.14026	57.6
175.11249	11.9
175.14804	100.0
176.15080	2.1
184.76958	1.3
189.12697	3.9
189.16405	4.9
199.14789	23.0
202.02583	2.3
212.93633	1.3
217.04910	3.5
217.10664	11.9
217.15858	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
51.10878	0.9
55.05291	1.0
55.05507	11.5
56.13081	0.8
56.38452	0.8
57.07056	3.7
59.04987	5.4
64.88493	0.8
67.05489	2.9
69.03421	1.4
69.07061	6.9
69.85074	5.7
76.58963	1.0
79.05474	3.4
81.07054	14.5
83.04977	9.3
83.08623	2.1
85.06505	1.4
89.02415	1.2
91.05473	6.7
93.07023	6.2
95.08591	9.0
97.06509	1.6
100.21283	0.9
101.06009	4.3
105.07020	27.9
107.08574	13.1
109.06482	2.0
109.10159	3.3
111.04427	15.3
115.05467	1.2
117.07014	4.8
119.08563	26.9
119.09854	1.1
121.06474	2.9
121.10126	3.6
123.08064	1.1
127.07518	2.3
128.06204	1.4
129.05457	3.5
129.06966	3.0
129.59409	1.2
131.08549	22.8
132.09328	1.2
133.06447	1.7
133.10114	20.2
135.07968	1.3
135.11681	1.6
137.09599	1.5
141.07004	1.6
142.07761	8.8
143.08537	7.2
144.09312	3.4
145.10124	10.8
146.07228	1.8
147.08040	10.2
147.11653	7.3
149.09622	2.5
155.07021	15.9
155.08383	1.4
156.09366	1.9
157.10114	27.6
158.10861	1.7
159.08046	1.1
159.11673	32.9
160.08846	1.9
160.12360	1.5
161.05904	1.5
161.09604	21.0
170.10927	1.4
171.11682	8.6
173.08105	10.5
173.09529	1.8
173.13251	22.0
174.03102	1.7
174.10414	2.6
174.14011	8.9
175.11189	27.8
175.14807	100.0
176.15108	2.2
187.11102	1.0
189.12724	2.0
189.16345	4.3
199.14809	8.1
202.02646	1.5
209.03886	1.0
217.04965	2.4
217.10716	9.8
217.15854	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1584
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
51.22855	0.7
55.05506	9.0
56.55921	0.7
57.07060	1.9
59.04991	6.0
67.05502	3.7
69.03456	0.8
69.07059	7.4
70.93859	1.9
71.04993	1.7
79.05481	2.6
81.07046	18.4
83.04971	7.6
83.08633	2.0
83.48410	0.7
84.50870	0.7
87.04450	1.0
89.06025	0.9
91.05466	8.6
93.07028	5.2
95.04917	0.9
95.08595	8.3
97.06530	1.1
101.06001	2.3
105.07018	32.0
106.37956	1.0
107.04871	0.7
107.08577	16.4
109.06491	2.4
109.10137	4.0
111.04421	10.5
111.08041	0.9
115.05424	1.0
117.07014	5.6
117.07744	0.9
119.08569	24.8
121.06457	3.1
121.10134	1.5
123.08035	1.3
127.07533	1.2
128.06209	1.6
129.05461	2.3
129.06972	4.4
130.07759	1.5
131.08553	22.1
132.09328	1.4
133.10114	22.3
135.08009	1.1
135.11658	3.0
137.45033	0.7
141.06976	1.3
142.07742	8.8
143.08553	5.3
144.09328	2.5
145.10104	11.7
146.10818	0.9
147.08034	9.7
147.11681	7.4
149.09554	2.1
155.07008	12.3
156.09340	2.8
157.10110	26.7
158.10892	1.3
159.08035	1.5
159.11673	30.6
160.08878	1.3
160.12434	1.7
161.09589	10.5
170.10872	1.5
171.11676	8.7
173.08069	6.0
173.09499	1.7
173.13239	19.3
173.14656	1.3
174.10330	2.0
174.14009	7.4
175.11221	16.6
175.14803	100.0
176.15157	1.5
178.93762	0.8
189.12726	1.2
189.16370	7.2
199.14816	7.8
202.02577	1.4
202.13368	0.8
217.04976	2.2
217.10796	4.5
217.15858	55.5
218.16223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1021
Annotation	CJ 15801
Peak:m/z	Relative Intensity
53.03931	3.0
55.01851	4.6
55.05501	3.3
56.05020	5.6
56.96547	7.0
58.06591	2.5
61.02927	3.0
65.03918	4.7
67.05500	16.7
68.05004	6.0
69.03420	3.3
69.85604	14.0
70.06571	4.5
72.04508	3.7
73.02917	3.1
76.07623	2.4
78.27995	2.3
79.05464	8.0
80.04984	3.5
81.03394	3.3
81.07039	5.1
82.06571	13.5
83.04977	10.1
84.04509	2.7
84.08146	4.0
85.02868	3.4
86.06055	3.2
91.05462	13.7
93.03384	2.6
93.07019	15.6
94.06564	27.0
95.04955	34.2
96.04476	18.4
97.02883	3.2
97.05232	3.6
97.06506	3.2
98.06029	5.8
98.20793	2.9
98.97567	5.5
99.04403	3.0
103.05435	3.1
103.30620	2.0
106.06570	3.1
107.04937	3.5
108.08109	30.2
109.06504	10.3
110.06039	60.1
110.09649	6.3
111.04436	9.1
111.08030	3.4
112.07597	14.7
114.05525	10.8
116.98643	2.1
118.06523	3.0
119.01859	5.3
119.04929	4.2
120.08080	17.5
121.02837	2.7
121.06476	19.0
122.06026	21.5
122.06809	3.7
123.04402	6.5
124.07557	2.9
124.99133	2.4
126.09117	7.8
135.04445	3.5
136.07561	60.6
137.05939	11.7
138.05469	7.6
138.09128	28.5
139.03880	5.7
139.07516	6.9
140.07051	12.9
143.00075	2.6
146.06006	4.1
146.08089	3.2
147.04430	3.5
154.08626	29.9
155.06998	4.9
156.10136	4.6
163.03937	11.5
164.07025	36.8
165.05469	5.2
172.09621	9.8
182.08105	43.6
182.11667	3.0
183.06512	6.1
185.01196	2.6
200.09157	75.1
200.12822	6.6
201.07576	5.2
218.10207	100.0
218.13670	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	218.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
56.05010	3.3
56.96569	16.2
57.03426	2.2
61.02901	7.7
62.99312	2.4
67.05502	13.6
68.05003	3.1
69.03417	4.6
70.06563	3.7
70.14249	10.9
71.01298	2.4
72.04509	3.4
79.05481	6.0
79.54606	2.3
80.04994	2.9
80.35950	2.3
81.07029	4.9
82.06548	6.8
83.04958	6.6
84.04484	3.1
85.02884	6.4
91.05432	6.9
93.07034	9.8
94.06565	14.2
95.04958	24.2
96.04465	9.9
97.02875	3.4
98.97575	9.5
103.05470	2.3
108.08089	16.9
109.06510	6.1
110.06028	34.6
110.09666	2.9
111.04408	6.8
112.07585	9.6
113.02345	4.6
114.05529	4.7
116.98557	2.8
117.03387	2.7
120.08102	14.4
121.02802	2.8
121.06480	9.7
122.06015	12.4
123.04452	5.4
126.09097	3.5
128.07024	6.5
136.07561	35.0
137.05946	7.9
138.05467	5.5
138.09119	20.2
139.07481	6.0
140.07016	8.9
141.05502	3.0
143.00154	2.6
146.08131	3.1
150.01897	3.2
154.08632	20.4
155.06976	2.6
156.06386	2.8
156.10165	2.7
160.50423	2.6
163.03880	14.8
164.07072	21.0
165.05415	5.0
172.09657	9.9
177.00618	3.3
177.02721	2.3
182.08127	30.5
183.06503	4.1
185.01181	3.7
199.63046	2.2
200.09163	53.3
200.12851	4.9
201.07603	5.3
213.00650	4.7
218.10210	100.0
218.13831	7.0
219.17349	3.6
231.01746	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74830	18.0
58.07591	17.3
71.53100	19.5
72.11277	19.7
73.49383	18.3
92.07179	20.1
98.97555	100.0
106.94984	18.7
116.98605	61.2
134.99680	31.8
173.02954	22.8
219.02687	44.8
219.17384	56.6
225.15674	18.5
229.42709	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	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.4
55.05501	1.2
56.96533	1.1
57.07069	1.1
61.02635	1.0
61.02920	16.3
67.05490	2.3
69.07054	2.5
71.01347	26.0
71.32296	1.4
75.04474	37.2
79.05463	1.7
81.03386	1.0
81.07037	2.9
83.04953	0.8
84.99265	0.9
85.02865	1.2
87.03973	1.1
87.04462	12.5
89.02387	6.3
89.03883	1.0
90.05550	2.5
91.05460	1.9
93.07028	2.4
95.04937	0.7
95.08587	1.6
98.17996	0.8
101.05968	1.1
103.03931	48.3
105.07003	3.4
107.08573	2.8
109.06476	0.8
117.07005	1.3
119.08581	4.9
121.10122	6.7
123.08060	1.1
131.03380	9.5
131.04906	1.0
131.08539	2.1
133.10104	5.8
135.04399	1.1
135.11647	0.8
139.23430	0.8
143.08510	1.1
145.02841	0.9
145.06441	1.1
145.10078	1.7
147.07997	1.5
147.11650	1.4
157.07475	1.0
159.02876	62.1
159.11703	1.1
160.03360	0.9
161.09549	1.8
161.13243	4.1
163.03879	6.6
164.02612	0.7
170.10858	1.3
173.09586	1.3
175.08636	0.9
175.11180	0.9
175.14819	1.8
177.05510	1.6
187.02373	4.9
188.11943	1.7
203.14305	33.5
217.29276	0.8
219.03145	1.1
219.04877	4.7
219.10191	2.4
219.17418	100.0
233.05157	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	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01865	1.0
55.05501	3.0
57.03407	1.3
57.07063	1.0
65.03951	1.0
67.05497	5.1
69.03403	1.4
69.07045	3.6
71.01325	0.8
71.04976	2.8
71.53410	0.9
77.22635	0.8
79.05475	3.7
80.67646	0.9
81.03383	0.9
81.07036	7.5
82.90614	0.7
83.04974	1.7
83.08594	1.2
91.05468	14.5
93.07027	7.3
95.04963	2.5
95.08607	4.9
95.68016	0.8
95.73077	0.9
97.00105	0.8
97.06491	1.2
98.97571	1.2
99.77321	0.8
103.05447	3.1
105.07024	12.2
107.04905	1.2
107.08585	7.1
109.06493	1.9
109.10120	2.5
110.89358	0.8
111.04382	1.0
111.99605	0.7
115.05431	10.6
116.06257	4.1
116.06918	0.8
117.07021	5.8
118.07750	0.8
119.08575	12.2
121.06506	2.1
121.10126	9.8
123.08044	2.0
123.11707	0.8
128.06209	10.8
129.06989	40.0
130.07721	3.1
131.04927	7.4
131.08553	38.7
132.05644	1.6
133.06403	1.5
133.10110	11.6
134.10895	0.9
135.08023	2.0
135.11653	3.1
137.05943	4.0
137.09555	1.1
141.06972	31.8
143.04900	2.0
143.08546	3.9
144.05669	5.8
145.06421	7.4
145.10078	11.2
146.07288	5.4
147.08012	1.4
147.11700	4.4
148.05165	2.3
149.05927	1.3
149.09579	1.7
149.13211	1.5
151.03917	4.2
155.06055	1.4
155.08524	1.2
157.06467	19.2
157.07698	1.2
158.07251	18.3
159.03102	1.1
159.04405	4.4
159.08040	23.6
159.11694	9.7
160.05170	5.9
161.05927	2.3
161.09608	5.6
161.13263	5.2
162.06799	1.5
163.07501	3.8
163.11127	2.4
169.06453	12.5
170.07228	6.5
170.10854	1.0
173.05980	4.4
173.09573	2.4
173.13211	4.7
174.06743	64.6
175.07520	16.7
175.11124	1.5
175.14787	2.8
176.14325	1.5
177.09003	2.5
177.12787	1.3
177.16299	1.0
186.06729	16.2
187.07451	1.9
187.11145	1.5
188.08304	3.7
188.11943	1.6
189.09081	85.1
190.09407	2.5
191.07021	2.1
191.10680	6.8
201.09081	33.2
201.12714	1.7
201.16356	4.3
202.09346	1.0
203.14291	27.7
219.06577	3.3
219.10127	90.8
219.13786	6.3
219.17404	100.0
220.10501	1.4
220.17029	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	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03432	1.8
67.05447	2.0
69.47710	5.2
69.48129	8.6
91.05474	10.3
103.05434	4.1
105.06996	4.0
114.17279	1.8
115.05448	11.8
115.89974	1.8
116.06208	2.4
117.06985	5.1
119.08523	2.3
121.10094	3.5
123.34597	1.7
128.06160	10.2
129.06990	43.0
130.07758	4.1
130.25015	1.8
131.04916	6.9
131.08551	38.9
131.86214	2.3
133.10107	3.3
137.05948	3.6
141.06975	35.8
144.05690	3.2
145.06454	12.5
146.07242	4.5
157.06458	25.5
158.07233	21.8
159.04407	2.9
159.08031	28.7
160.05147	5.3
161.05972	2.4
161.09619	2.1
169.06418	17.9
170.07195	8.6
171.08023	2.4
173.05965	4.0
173.09518	2.3
173.13194	2.2
174.06744	78.2
175.07503	12.8
186.06775	16.3
188.08281	5.5
189.09082	100.0
190.09453	3.0
191.07016	2.1
191.10649	9.4
201.09100	41.9
203.14243	6.4
219.10132	94.8
219.17421	16.7
220.10521	2.5
231.00014	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05475	1.0
67.05479	1.6
69.07050	1.1
71.02014	1.8
76.32677	1.0
79.05481	2.0
81.07022	2.8
91.05464	11.0
93.07039	1.1
94.79137	0.9
103.05448	3.9
105.07004	4.7
107.04990	1.0
107.08571	2.8
115.05428	11.7
116.06185	3.1
116.98583	0.9
117.07031	4.6
119.08567	2.5
121.10161	1.7
128.06177	9.6
129.06992	36.8
130.07739	2.8
131.04903	9.1
131.08553	33.8
132.05678	2.1
133.06467	1.2
133.10124	4.5
135.08008	2.6
137.05962	4.0
141.05933	1.8
141.06976	31.0
141.70670	1.0
143.04901	2.5
143.08553	2.2
144.05684	4.5
145.06458	9.4
145.10075	2.1
146.07233	4.0
147.07939	1.4
148.05203	1.7
155.05991	1.8
156.05774	1.1
157.06470	19.5
157.07709	1.2
158.07256	21.0
159.04343	3.1
159.06775	1.8
159.08032	24.6
159.11671	1.7
160.05225	5.7
161.09573	3.7
163.07565	2.1
168.05649	1.2
169.06445	13.1
169.07639	1.1
170.07263	6.5
171.07974	1.4
173.05984	5.6
173.09572	1.8
173.13185	3.1
174.06749	72.3
175.07520	17.4
176.08293	1.0
179.27428	0.9
185.06012	0.9
186.06731	15.0
187.07509	2.7
188.08286	4.6
189.09087	80.4
190.09401	2.0
191.10609	4.6
201.09090	35.0
201.16261	1.2
202.09338	1.3
203.14305	7.0
219.10144	100.0
219.13695	3.0
219.17389	27.6
220.10585	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05499	1.6
56.96543	1.1
57.07048	1.3
67.05481	2.4
69.07032	1.7
70.70727	2.8
71.04971	1.3
71.42024	0.9
73.63696	1.1
75.14729	1.1
79.05464	2.7
81.07031	3.4
91.04954	1.4
91.05477	14.1
93.07045	2.5
95.08591	3.3
96.01847	1.0
97.36852	1.0
98.73334	1.0
103.05437	3.6
105.07025	6.7
107.08565	4.1
108.74829	1.0
109.06500	2.1
109.10126	1.4
109.48589	1.1
110.76917	1.1
115.05447	9.3
116.06214	3.4
117.07030	5.4
119.08571	7.8
120.92136	1.0
121.10141	2.9
128.06216	11.5
129.06995	45.8
130.07776	3.1
131.04918	10.7
131.08553	43.3
132.08932	1.8
133.06541	1.2
133.09196	0.9
133.10115	4.6
135.07997	2.4
137.05951	4.1
141.06973	39.4
143.04951	3.3
143.08536	3.1
144.05698	6.2
144.81883	1.0
145.06458	7.5
145.10097	3.5
145.86542	1.0
146.07234	6.5
147.11661	2.0
149.05887	1.7
155.06009	1.7
157.06474	26.0
158.07262	25.5
159.04399	3.8
159.08035	29.7
159.11650	4.0
160.05215	6.1
161.06007	1.7
161.09625	6.6
161.13214	2.8
163.07520	3.2
169.06459	18.2
169.07802	1.4
170.07242	8.3
173.05956	5.0
173.09639	1.2
173.13239	4.3
174.06747	87.4
175.07539	12.9
175.14764	1.2
180.34914	1.1
185.05875	1.5
186.06758	19.0
187.07396	2.5
188.08276	5.1
189.09085	99.5
190.09459	2.1
191.10655	8.9
201.09082	45.0
201.12813	1.9
201.16354	1.9
202.09615	1.2
203.14267	11.9
208.93456	1.4
219.10143	100.0
219.13753	4.0
219.17400	40.2
219.20914	1.5
220.10509	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	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03421	1.9
67.05492	3.0
71.01688	2.8
81.07039	1.9
91.05475	11.0
93.07019	1.2
97.56988	1.0
103.05453	3.8
105.07025	2.8
109.10144	4.1
112.50188	0.9
115.05443	10.2
116.06204	3.5
117.06993	2.8
119.08601	1.9
121.10109	1.6
128.06218	12.1
129.06996	45.7
130.07832	1.6
131.04936	8.7
131.08556	42.1
133.10086	1.1
137.05968	4.1
137.09633	3.1
141.06975	39.4
143.04910	2.0
143.08498	2.8
144.05719	5.9
145.06450	6.3
146.07234	5.1
147.08055	1.0
148.05185	1.1
155.06012	1.7
155.10625	2.1
157.06477	21.6
158.07257	24.1
159.04419	4.2
159.08044	28.9
160.05199	6.1
161.09621	3.3
163.07530	2.6
165.09111	2.7
168.05716	2.2
169.06456	15.1
170.07242	5.5
173.06001	4.3
174.06754	80.5
175.07532	12.8
185.05981	1.1
186.06741	20.6
187.07449	1.7
188.08304	4.6
189.09088	100.0
190.09497	2.3
191.07088	2.0
191.10649	6.6
201.07214	2.1
201.09096	40.8
202.09378	1.7
203.14325	2.6
219.10146	92.3
219.17365	11.1
220.10434	1.8
231.36603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1224
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
55.01858	2.3
55.05496	1.6
57.03421	2.3
64.67082	1.0
65.01197	1.1
67.05499	19.1
67.85597	1.2
69.07053	1.7
69.63908	7.5
79.05455	2.4
81.07042	17.0
81.44404	1.1
91.05471	10.3
93.07014	3.2
95.04947	2.7
95.08572	9.0
97.06515	1.9
98.21414	1.8
99.08029	1.4
102.89216	1.1
103.03880	1.4
103.05441	3.5
105.07003	3.7
107.08573	2.8
109.10146	43.2
111.04423	3.5
115.05430	9.4
116.06216	3.2
117.06992	3.4
119.08541	6.5
121.10120	4.8
125.05961	3.7
128.06209	9.4
129.06984	46.8
130.07713	3.7
131.04921	9.6
131.08545	38.5
133.10085	3.1
137.05920	3.8
137.09595	27.2
141.06978	39.1
142.07581	1.2
143.04922	2.1
143.08543	2.9
144.05661	4.9
145.06496	8.9
146.07230	6.0
147.08060	3.1
148.91267	1.1
155.10648	10.7
157.06458	23.3
158.07253	22.9
159.04375	4.9
159.08029	29.4
159.11668	2.9
160.05215	6.5
161.05937	1.8
161.09558	4.0
161.13229	1.9
162.06760	1.5
163.03882	1.2
163.07486	2.1
165.07782	1.5
165.09111	22.3
169.06459	15.0
169.07677	1.2
170.07224	6.7
171.08012	1.4
173.05905	4.4
174.06743	79.2
175.07497	11.8
183.10147	4.8
185.06018	1.4
186.06746	16.7
187.07323	2.0
188.08308	4.6
189.09081	100.0
190.09433	2.3
191.10640	6.3
201.09091	38.1
201.11034	1.6
202.09521	1.3
203.14334	8.3
219.10133	99.5
219.17387	33.6
220.10493	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	219.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.9
57.03409	2.3
67.05166	1.8
67.05493	20.3
68.91389	1.7
69.03426	2.3
69.07053	3.3
71.04975	1.9
79.05457	6.9
81.07040	17.3
91.05471	12.4
93.07005	6.1
95.04932	5.6
95.08604	10.7
99.08027	1.8
103.05427	4.0
105.07007	7.1
107.04957	2.1
107.08549	3.5
109.06442	2.6
109.10136	47.0
111.04419	4.0
115.05434	9.1
116.06187	1.8
117.06981	5.6
119.08562	13.9
121.10096	9.7
123.08007	2.1
125.05991	3.2
128.06189	7.5
129.06023	1.9
129.06985	31.9
130.07753	4.2
131.04886	6.2
131.08557	28.7
133.10095	8.7
135.08047	2.9
137.05936	3.2
137.09596	35.1
141.06973	29.4
143.04874	3.3
143.08487	3.5
144.05685	4.3
145.06453	7.9
145.10129	4.3
146.07274	4.5
147.08009	6.7
147.11658	3.5
155.10654	16.9
157.06485	12.7
158.07239	16.2
159.04384	2.9
159.08032	21.9
159.11641	6.2
160.05174	6.9
161.05916	1.9
161.09630	4.8
161.13223	5.0
163.07466	2.3
165.09090	25.5
169.06432	9.3
170.07262	3.2
173.06009	6.2
173.09508	3.3
173.13242	3.3
174.06740	53.7
175.07498	17.6
180.92162	1.8
183.10143	5.7
186.06685	14.2
187.03972	2.2
188.08261	2.9
189.09087	59.7
191.10652	5.7
201.05397	3.7
201.09071	26.8
201.11125	4.8
201.12775	2.4
203.14310	35.1
219.06625	4.3
219.10144	71.5
219.13759	5.6
219.17400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05491	2.8
57.07056	1.0
59.77854	0.6
62.36199	0.8
67.05495	5.2
69.03389	0.8
69.07056	4.4
69.41171	1.3
69.41574	5.6
71.04974	5.2
71.08631	1.0
74.88937	0.7
78.10659	0.7
79.05477	4.3
81.07039	14.1
81.15557	0.7
83.08596	1.7
83.38950	0.7
85.06543	1.6
91.05466	5.7
93.06458	1.2
93.07024	12.4
95.04953	1.0
95.08033	1.3
95.08591	15.1
97.06500	2.4
98.20763	1.8
105.07010	27.4
107.08578	16.7
109.06516	3.3
109.09438	1.3
109.10137	15.8
111.08091	3.6
113.09609	1.0
115.62071	0.9
117.07007	3.0
119.08566	29.1
121.06425	1.1
121.10139	8.7
123.08052	3.0
123.11678	1.5
125.09612	1.9
129.06923	1.1
131.08560	9.5
133.10115	9.8
135.08014	1.7
135.11632	4.9
135.38791	0.7
137.09579	2.2
144.09290	1.0
145.10100	23.6
147.11661	5.7
149.13214	2.7
157.10126	1.0
159.11682	21.2
161.13225	31.7
162.13504	0.9
163.11133	2.8
168.47562	0.7
173.13269	6.5
175.14795	11.2
177.12688	1.5
177.16345	4.7
191.14273	1.8
201.16357	39.3
202.16728	1.1
219.17403	100.0
220.17693	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.25982	2.1
55.05498	2.4
57.07060	3.2
58.00641	2.1
59.04990	18.3
67.05489	9.1
69.03395	2.1
69.07056	12.3
69.50057	1.7
71.04989	21.4
79.05480	5.7
81.07053	14.0
83.08576	3.7
85.06538	7.5
87.08106	3.0
91.05466	14.0
93.07041	14.1
95.04932	3.6
95.08601	31.6
97.06509	3.5
98.20743	3.9
98.23700	1.7
99.83712	1.6
103.75677	2.2
105.07020	100.0
107.08582	22.5
109.06532	2.2
109.10146	19.2
113.09611	5.9
117.06999	7.3
119.08572	44.3
121.10138	20.3
123.08060	3.4
123.11725	3.2
125.09618	4.5
127.11243	2.4
131.08536	10.5
133.10104	23.6
135.08044	4.4
135.11737	9.4
143.08546	2.9
145.10109	33.2
147.11713	15.4
149.09625	2.7
149.13268	5.5
157.10159	2.4
159.11676	45.0
161.13235	24.0
163.11115	5.4
173.13249	5.9
175.14804	43.6
177.12706	10.6
177.16370	34.3
191.14305	11.3
191.18004	3.1
201.16382	30.0
219.17418	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1739
Annotation	Squamulosone
Peak:m/z	Relative Intensity
53.03920	1.0
55.01852	0.8
55.05508	1.4
57.07077	0.6
59.04993	0.5
67.05489	1.9
69.03410	0.7
69.07056	5.0
69.31477	5.5
71.04979	0.8
79.05480	11.6
81.07042	81.6
82.07344	1.1
83.04969	0.7
83.08567	0.5
91.05471	3.6
91.73619	0.6
93.07028	6.6
95.04993	0.9
95.08603	3.6
97.06516	12.1
105.07010	10.9
107.08580	9.5
107.50301	0.6
109.06509	2.0
109.10133	2.0
110.82845	0.5
111.08007	0.7
117.06979	1.5
119.08565	4.8
121.06492	4.7
121.10114	3.4
123.08035	1.1
123.11653	1.1
125.09644	1.3
129.06927	0.9
130.07753	1.0
131.08531	4.1
133.10115	1.8
135.08029	21.0
135.11667	2.1
137.09521	0.8
139.11156	1.8
143.08534	1.0
144.09245	1.1
145.10092	6.5
147.08028	0.8
147.11635	3.5
149.09596	1.8
149.13326	0.6
150.10274	0.6
151.11160	1.6
157.10117	1.2
159.11668	12.1
161.09576	2.2
161.13225	1.6
162.10347	0.7
163.11159	7.7
175.10995	0.6
175.14752	0.7
176.11894	2.5
177.12694	2.1
177.16258	0.6
181.07062	0.5
201.16350	2.2
219.17404	100.0
220.17735	1.9
238.18164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1175
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01861	1.1
55.05490	1.2
57.07063	6.2
57.39045	0.6
59.04993	5.5
60.04509	0.7
65.03931	0.6
67.05492	7.1
69.07059	4.9
70.02939	8.3
70.93077	1.1
70.93423	1.0
72.04505	18.4
73.02901	3.1
74.02444	0.6
75.75528	0.5
79.05486	0.7
81.07049	0.8
83.04971	1.8
85.06529	11.6
86.09702	1.7
87.08083	2.0
89.47358	0.6
90.05537	100.0
95.04951	6.1
96.08118	2.3
98.02399	15.6
100.03962	2.0
103.07563	9.1
108.16570	0.6
112.07620	0.8
113.05983	2.9
116.03429	14.0
124.07568	17.7
125.77960	0.6
131.07053	1.6
135.79851	0.5
142.08611	6.6
145.10197	0.6
146.05896	0.7
146.53114	0.6
148.94545	0.5
156.10153	1.3
160.09702	2.2
166.08624	1.7
174.11249	2.6
184.04298	0.6
184.09656	19.9
192.06403	0.6
202.10706	24.7
204.14635	1.3
205.15834	3.2
220.11772	24.1
220.17706	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05495	2.7
56.05008	1.1
57.07036	3.0
57.38135	1.1
60.02649	1.2
67.05499	6.0
69.03405	2.1
69.07061	2.7
70.06563	1.7
71.56254	2.5
71.77251	1.4
79.05496	2.0
81.07048	6.8
83.04962	1.9
83.08604	3.1
87.72514	1.3
91.05451	4.7
91.05914	1.4
93.07035	4.1
94.06539	3.0
95.04938	2.5
95.08585	4.9
103.05457	2.9
105.07009	5.6
107.04997	1.7
107.08578	3.5
109.06512	1.6
109.07617	1.8
109.10145	4.6
111.08052	7.5
115.05450	4.2
116.07090	1.5
119.04925	1.8
119.08576	6.9
120.08094	1.7
121.06496	8.7
121.10159	1.4
121.56342	1.7
123.04430	1.3
123.08103	1.5
123.11755	1.3
130.06503	59.2
131.04924	2.0
132.03447	1.7
132.04437	34.6
132.16177	1.3
133.06488	2.0
133.10092	4.6
134.06003	8.8
135.08025	1.8
135.11621	2.4
137.05975	2.6
137.09569	4.6
146.05946	2.9
147.04404	3.4
147.06316	2.1
147.08057	1.6
147.11543	1.6
148.07512	6.3
149.02322	1.6
151.03896	2.0
151.11160	1.4
153.09111	3.6
157.06436	2.3
157.07581	17.6
158.05991	75.4
159.06563	1.5
160.07611	2.7
161.05994	8.6
161.09529	1.9
161.13203	2.4
162.05473	17.5
163.03842	1.8
165.09119	3.7
175.08661	100.0
175.14809	4.9
176.07034	4.7
176.08960	2.3
177.09050	1.9
179.07021	1.7
179.10629	1.6
185.06003	1.4
186.05447	7.7
193.04955	2.4
193.15883	5.4
203.06857	3.0
203.14294	2.1
204.06543	28.2
205.14996	1.6
206.16182	5.8
221.04390	4.8
221.05783	3.2
221.09218	16.0
221.11757	4.3
221.15323	8.7
221.18289	4.6
239.09377	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
55.05506	0.9
57.03410	0.2
57.07069	0.2
57.96555	0.1
58.75240	0.1
59.12753	0.1
67.05477	0.6
69.07040	0.4
69.89251	0.3
69.89665	0.6
71.04975	0.3
77.28823	0.1
79.05468	0.7
81.07040	1.3
91.05454	1.3
93.07039	1.0
95.04944	0.2
95.08603	0.9
97.06497	0.2
103.05474	0.3
105.03368	0.2
105.07010	1.3
107.08583	1.1
109.06474	0.4
109.10120	0.6
111.08024	0.2
115.05437	1.5
116.06194	0.6
117.06992	4.9
119.04897	0.4
119.07809	0.2
119.08573	1.6
121.02859	0.3
121.06469	0.5
121.10117	0.5
123.08019	0.3
123.11633	0.2
128.06198	1.1
131.04855	0.1
131.08472	0.2
133.06493	0.8
133.10107	0.9
134.07259	1.3
135.08051	0.9
135.11653	1.1
137.05937	0.3
137.09608	0.3
143.08554	0.9
144.05682	0.5
145.06490	1.0
145.10051	0.3
147.04396	0.3
147.08017	0.6
147.11647	0.8
149.02316	3.4
149.05901	0.2
149.09560	0.3
159.08029	0.2
160.05157	0.2
161.05968	0.6
161.09625	0.2
161.13234	0.5
162.06732	5.0
163.63795	0.1
165.09024	0.3
171.08061	0.7
175.07538	2.7
175.11105	0.2
175.14848	0.3
177.09077	100.0
178.09422	1.7
180.36035	0.1
203.10611	0.6
203.14188	0.4
203.17946	0.4
206.16289	0.2
221.04454	0.4
221.08000	0.3
221.11670	0.8
221.15343	0.5
221.19008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.71523	0.5
52.90843	0.5
53.03945	0.9
55.01852	1.5
55.05512	1.1
57.03423	1.4
57.07050	0.8
61.11843	0.6
65.03945	0.8
67.05479	1.7
68.18758	0.6
69.03411	2.0
69.07066	0.7
70.34314	0.6
71.48610	1.0
77.50251	0.6
79.05470	2.4
79.26443	0.7
81.03409	0.7
81.07055	2.1
85.02901	1.4
91.05466	16.7
93.07040	2.1
93.45376	0.6
95.04951	1.3
95.08628	0.8
97.02882	2.2
98.97527	1.1
103.05463	2.5
104.06240	2.2
105.07010	7.7
107.04948	2.7
107.08571	0.7
109.06522	1.5
109.10130	0.9
111.08052	1.1
115.05437	11.1
116.06259	1.0
116.98602	0.8
117.07010	17.3
118.04227	0.9
119.04917	3.9
119.08576	4.8
121.06522	4.5
121.10125	1.0
123.04415	0.8
126.04346	0.7
128.06209	12.6
128.07704	0.6
129.07011	3.1
130.07811	0.7
131.04895	3.7
131.08524	1.4
132.05693	4.6
133.06506	4.7
133.10085	1.2
135.08041	2.0
137.05949	3.8
137.09624	1.2
141.06960	1.1
143.04895	3.2
143.08546	7.5
144.05630	1.0
145.06464	10.6
145.10143	2.4
146.03627	1.2
146.07236	6.9
147.04395	7.0
147.08035	8.9
148.05066	0.8
149.05998	2.1
149.09601	2.4
150.61357	0.6
151.07489	1.8
153.09116	0.7
155.06010	1.0
157.10068	0.9
158.07188	0.6
159.04332	2.9
159.08011	2.8
160.05211	5.7
160.08853	4.6
161.05959	13.1
161.09607	7.7
161.13188	1.1
162.06754	11.0
163.07489	1.7
165.05409	0.9
165.09087	2.3
165.45648	0.7
171.08026	3.1
172.08846	1.5
173.05939	2.4
173.09525	0.7
174.06720	2.4
175.07527	100.0
175.11099	14.2
176.07925	0.9
177.09085	27.7
179.07036	5.3
181.03419	0.9
185.09688	1.0
188.08340	4.3
189.05530	0.9
193.08611	1.1
198.06268	1.1
203.06969	1.0
203.10635	26.5
206.16216	1.0
221.04446	2.0
221.08449	6.0
221.11700	48.7
221.15279	2.4
244.08044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89232	0.2
69.29153	0.2
69.29272	0.4
69.29613	2.0
69.29931	0.3
91.05456	0.9
91.22799	0.2
103.05457	0.3
105.07004	0.3
115.05433	1.5
116.06221	0.7
117.06999	4.4
119.04914	0.2
121.06477	0.2
128.06226	1.0
131.04813	0.3
133.06490	0.6
134.07239	0.9
135.08018	0.8
143.08521	1.0
144.05690	0.5
145.06485	1.0
145.25305	0.2
147.04382	0.2
147.07950	0.3
154.72920	0.2
161.05952	0.5
162.06738	6.0
171.08043	0.6
175.07539	2.4
177.09084	100.0
178.09390	1.9
203.10666	0.4
221.11623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01846	0.4
55.05495	0.6
56.96567	0.3
57.03418	0.5
57.07065	0.4
59.49796	0.2
65.03934	0.3
66.13708	0.2
67.05505	1.4
69.03406	0.5
69.07051	1.1
69.98586	0.9
71.04974	0.7
75.41205	0.2
79.05479	1.4
81.07052	3.1
83.04964	0.3
83.08597	0.4
85.06535	0.5
91.05463	2.2
93.07029	2.6
95.04948	0.6
95.08594	2.5
97.02882	0.3
97.06541	0.5
98.21404	0.2
98.97579	1.1
99.04439	0.2
99.08092	0.2
103.05447	0.4
105.07010	3.5
107.04946	0.5
107.08572	2.7
109.06512	1.1
109.10182	1.3
111.08049	0.6
115.05455	1.3
116.06174	0.5
116.98593	0.3
117.06213	0.3
117.07004	5.0
119.04941	0.5
119.08579	3.4
121.06478	0.8
121.10132	1.5
123.04384	0.2
123.08028	0.5
123.11678	0.6
125.09561	0.4
126.26298	0.2
128.06187	1.1
128.45605	0.2
129.06995	0.5
130.07794	0.2
131.04964	0.4
131.08563	0.6
132.05666	0.3
133.06514	1.1
133.10104	2.2
134.07248	1.0
134.99660	0.5
135.08057	1.2
135.11679	1.2
137.05948	0.6
137.09599	0.6
141.06863	0.2
143.08566	1.4
144.05692	0.7
145.06499	1.0
145.10112	0.8
147.04414	0.4
147.08044	0.9
147.11658	1.6
149.09619	0.5
149.13196	0.4
151.03902	0.2
151.07539	0.3
157.10150	0.3
159.11676	0.3
160.05176	0.5
161.05934	1.4
161.09660	1.1
161.13249	1.8
162.06743	5.3
163.07539	0.3
163.11186	0.7
165.06921	0.3
165.09010	0.3
171.08009	0.7
175.04012	0.2
175.07539	3.4
175.11182	0.7
175.14801	0.9
177.09085	100.0
178.07841	0.3
178.09383	1.8
179.10707	0.2
185.13231	0.5
189.05383	0.3
203.06947	0.4
203.10635	1.1
203.14281	0.9
203.17964	0.8
206.16145	0.6
221.04379	0.9
221.06245	0.3
221.07983	0.8
221.09674	0.5
221.11586	1.4
221.15395	2.6
221.19147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03927	5.3
55.05516	28.8
56.05852	3.0
57.07055	10.9
59.05005	4.1
65.35537	2.8
67.05499	44.7
69.06783	3.1
69.07068	34.0
71.04978	9.3
79.05489	24.9
81.07050	70.1
83.04971	26.5
83.08609	18.2
85.06525	3.6
85.49158	3.6
91.05472	22.6
93.07041	39.8
95.04912	4.3
95.07977	4.4
95.08592	82.0
97.06547	3.8
97.10160	10.0
99.08076	6.4
101.98765	2.9
105.07016	56.8
107.08582	51.8
109.06492	10.4
109.10146	91.1
110.70451	3.0
111.08055	11.2
111.11722	4.4
117.62902	3.9
119.08564	54.2
121.06495	6.4
121.10136	36.1
123.08038	6.7
123.11674	22.7
125.09602	12.5
133.10126	40.8
135.08060	5.5
135.11682	14.3
137.05946	6.3
137.09604	8.8
137.13284	4.6
145.10117	5.5
147.07965	5.4
147.11699	46.4
149.13197	11.9
151.11156	7.8
161.05940	3.3
161.09735	3.7
161.13254	29.2
163.14780	12.7
165.12738	9.0
175.07478	4.2
175.14883	17.4
177.16382	11.8
179.03442	4.2
193.08565	2.9
203.03279	3.2
203.10658	3.6
203.17935	100.0
203.19748	6.4
204.14577	3.1
204.18246	3.8
206.10712	4.0
206.16183	12.1
221.04401	13.5
221.07997	7.4
221.11703	8.4
221.15413	7.4
221.19048	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.25987	1.3
53.03933	1.5
55.05502	13.2
57.03429	1.4
57.07054	3.8
64.66866	1.4
67.05507	12.2
69.03429	7.0
69.07055	12.4
71.04986	22.4
71.08264	3.6
79.05488	17.5
81.07051	47.5
83.04954	4.9
83.08598	7.1
83.68382	1.4
85.06535	2.9
91.05463	14.4
93.07036	32.8
95.04935	2.9
95.08601	25.4
97.02813	1.6
97.06480	2.7
97.10138	3.0
99.08073	3.3
99.36040	1.4
105.07019	26.3
107.04936	2.5
107.08583	62.4
109.06502	7.9
109.10147	20.1
111.08056	5.0
113.09589	1.5
117.06998	2.9
119.08569	26.9
121.06489	2.7
121.10143	15.3
123.08058	11.2
123.11671	13.9
125.09582	2.1
127.11153	2.7
129.06992	1.7
131.08525	3.1
133.06497	2.6
133.10115	27.7
135.08080	1.6
135.11679	100.0
136.12007	1.4
137.05959	5.1
137.09627	8.7
137.13217	3.9
143.08551	1.6
145.10104	4.2
147.04445	2.1
147.08034	2.3
147.11664	25.9
149.09608	2.8
149.13246	4.8
151.07513	3.1
151.11153	6.6
151.14792	1.8
159.11691	2.2
160.12358	1.4
161.05988	6.2
161.09595	3.7
161.13283	11.5
163.11220	3.2
163.14816	4.0
165.12712	3.1
175.07475	5.0
175.11246	1.9
175.14822	6.4
177.09090	30.5
177.16342	1.5
179.14311	1.6
185.13237	1.3
193.15762	2.6
203.06976	1.8
203.10588	3.6
203.14305	2.8
203.17931	28.7
221.04323	1.7
221.07909	1.7
221.09785	1.7
221.11734	3.2
221.15569	11.8
221.18996	38.4
221.22308	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.55458	2.4
53.03935	3.3
55.05507	21.4
56.96559	3.4
57.07064	10.6
59.35712	2.5
67.05496	36.6
69.03406	3.5
69.07058	27.5
69.37792	24.3
71.04987	20.0
79.05485	23.4
81.03423	3.3
81.07047	82.4
81.07516	4.9
83.08590	14.1
85.06519	6.0
91.05456	25.3
93.07032	49.0
95.04959	6.0
95.08595	80.4
96.79749	2.4
97.10155	3.6
99.08118	3.8
103.05441	2.7
105.07021	59.4
105.07674	5.3
107.08582	78.8
107.09294	5.5
108.08894	2.6
109.06498	6.4
109.10146	92.2
111.08041	6.3
113.09579	3.6
117.06992	5.7
119.08566	73.2
121.06492	7.2
121.10144	27.3
123.08029	5.3
123.11690	21.6
125.09595	5.5
127.11215	6.1
129.06998	2.8
131.08572	4.6
133.06461	4.3
133.10114	38.0
135.11676	42.8
137.05957	4.4
137.09616	6.2
144.61861	2.8
145.10136	4.2
147.04391	2.7
147.08061	2.7
147.11671	59.4
147.12781	4.2
149.13200	15.3
151.11172	11.6
151.14793	2.8
153.09171	3.3
159.11763	3.3
161.09601	11.5
161.13263	27.8
163.14778	24.5
165.09111	3.1
165.12762	5.4
165.76099	3.2
175.11154	3.5
175.14832	11.3
177.16397	14.4
179.10718	3.8
203.17932	100.0
205.14911	3.0
206.10912	6.5
206.12541	6.5
206.16223	7.0
221.04399	11.0
221.07971	7.7
221.11642	7.2
221.13229	7.6
221.15253	10.1
221.19017	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.46925	2.2
51.53273	2.2
53.03931	2.8
55.05506	18.9
57.03439	2.7
57.07058	5.2
59.23503	2.5
67.05495	30.8
68.03965	2.5
69.03410	5.5
69.07059	23.5
71.04981	5.2
71.56174	3.4
79.05489	16.1
81.07047	69.9
83.04966	6.6
83.08598	25.1
91.05444	13.5
93.07034	28.3
95.08596	100.0
97.06516	16.3
97.10147	8.0
105.07023	25.9
107.08580	43.1
109.06477	4.3
109.10146	50.0
111.08057	16.1
111.11698	10.1
119.08555	28.9
121.10120	31.3
123.08075	5.9
123.11708	18.4
125.09623	7.3
127.11144	6.6
133.10118	24.6
135.11681	13.9
137.13237	7.3
139.11165	4.8
147.11662	41.9
149.13303	7.6
151.11148	3.9
161.05946	4.4
161.09622	2.4
161.13248	19.8
163.14781	18.1
175.07599	3.5
175.14804	14.1
177.16385	2.6
203.03400	3.1
203.17920	69.8
206.16200	6.1
221.04456	8.4
221.08014	5.7
221.11682	4.0
221.15329	7.6
221.19014	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	1.7
55.05500	14.4
55.42059	1.1
57.07058	4.6
59.04988	2.1
61.85669	1.4
64.05492	1.3
67.05502	12.9
69.03419	5.7
69.07058	14.3
69.29254	6.2
69.29678	7.8
71.04984	16.3
79.05483	16.9
81.07049	45.6
83.04959	4.7
83.08596	6.7
85.06534	3.0
85.78273	1.2
91.05460	14.3
93.07036	34.0
95.04947	4.3
95.08595	28.6
97.06528	1.7
97.10143	2.7
99.08071	3.5
105.07025	24.5
107.04926	2.1
107.07851	3.2
107.08584	66.4
109.06520	7.5
109.10144	22.1
111.08081	6.5
117.01462	1.3
117.07033	3.0
119.08566	30.0
119.09422	1.7
121.06445	2.9
121.10128	12.8
123.08040	10.6
123.11689	16.5
125.09613	2.3
127.11133	3.6
129.07034	1.6
131.04865	1.3
131.08563	2.4
133.06508	1.9
133.10112	26.6
135.08057	2.5
135.11678	100.0
136.11975	2.1
137.05951	7.7
137.09607	9.7
137.13208	2.4
143.08626	2.0
145.06387	2.5
145.10164	3.1
147.08031	3.0
147.11671	22.3
149.13274	3.5
151.03908	1.5
151.07529	2.2
151.11147	5.6
157.10146	1.3
159.11676	3.2
160.12270	1.2
161.05995	9.1
161.09622	3.2
161.13220	12.0
162.06789	1.7
163.11179	5.1
163.14807	3.7
165.09056	3.2
165.12764	2.3
175.07474	4.4
175.11122	2.2
175.14763	5.1
177.09117	27.9
177.16428	1.6
179.14279	2.0
193.15848	4.6
203.06892	1.6
203.10590	2.7
203.14229	3.6
203.17944	25.9
206.16212	1.9
221.04256	1.6
221.07858	1.7
221.11789	1.8
221.15521	13.4
221.18993	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05427	6.5
57.06994	2.3
57.07242	0.8
58.83232	0.8
59.04925	1.7
64.37051	0.6
65.03858	1.3
67.05413	11.9
67.05808	1.2
69.06975	11.0
69.07384	1.2
70.17355	3.1
71.04899	17.9
71.08566	0.9
77.03844	0.8
79.05403	11.2
79.98682	0.6
81.06963	29.8
83.08526	5.2
85.06453	2.2
91.05470	7.8
93.07038	17.8
95.04914	1.0
95.08596	54.9
95.09171	2.2
97.06400	1.0
97.10111	1.5
105.07018	26.3
105.07684	0.9
106.07320	0.8
107.08583	56.0
107.09254	1.9
109.06444	1.9
109.10144	29.7
111.08020	1.6
113.09549	0.8
119.08571	24.7
121.10125	21.3
123.08051	0.8
123.11702	8.4
125.09584	2.4
131.08499	2.0
133.10114	21.9
135.11684	9.0
137.05986	0.7
137.09541	2.2
137.13148	2.9
145.10083	2.0
147.11673	48.0
149.13191	2.1
151.11171	1.5
151.14714	2.2
152.13300	0.7
159.11658	1.0
160.12442	0.8
161.13235	14.1
162.13541	0.9
163.11143	0.9
163.14806	21.8
165.12744	1.7
175.07518	0.7
175.14799	10.1
177.16371	8.0
193.15871	0.8
203.06924	0.9
203.17937	100.0
204.18356	1.4
206.16252	1.3
211.63939	0.8
221.04430	2.0
221.07912	1.1
221.11664	1.5
221.15370	2.5
221.18994	29.9
222.19434	0.8
233.33076	0.8
240.84456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01896	1.4
55.05502	9.7
56.96566	1.2
57.07066	6.5
59.04985	3.2
67.05495	14.9
69.07072	15.9
71.04987	16.3
71.54134	1.4
71.54537	1.9
79.05486	14.7
81.07046	34.5
83.04982	1.7
83.08614	5.3
85.06552	3.7
91.05449	10.2
93.07030	24.3
95.04987	2.0
95.08596	50.7
97.10152	2.5
105.07018	40.3
107.08583	57.5
109.06518	2.7
109.10146	32.6
111.08091	2.1
111.11748	1.5
119.08569	30.7
121.06527	2.3
121.10136	27.4
123.08067	2.9
123.11696	10.3
125.09647	2.8
131.08572	2.4
133.10110	27.1
135.11679	10.1
137.05959	2.6
137.09628	2.6
137.13257	4.7
143.08620	1.6
145.10103	3.0
147.04416	1.7
147.08061	1.9
147.11676	52.3
149.13240	2.8
151.11185	3.7
151.14812	2.3
159.11682	2.7
160.12440	1.7
161.09608	2.6
161.13240	29.3
163.14801	37.4
165.12766	4.1
173.46080	1.2
175.07539	2.1
175.14832	10.0
177.09134	1.2
177.16388	12.1
180.76599	1.4
181.24196	1.3
183.12083	1.3
203.06998	1.6
203.10667	2.0
203.17926	100.0
204.18422	1.9
206.16161	6.6
212.75021	1.2
221.04459	4.8
221.07883	2.2
221.11580	2.2
221.13431	2.2
221.15367	3.5
221.19003	46.7
233.06960	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	221.1897
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03930	2.7
55.01856	1.5
55.05507	11.4
56.03301	0.7
57.07054	3.2
64.33003	0.8
67.05494	6.4
69.07059	100.0
69.54702	6.5
70.07372	1.5
79.05481	12.7
81.07047	61.4
82.96851	0.9
83.08605	3.4
85.06501	0.8
91.05458	5.3
93.07030	24.4
95.04935	1.7
95.08591	17.7
97.06529	1.1
97.10139	1.4
98.20804	2.1
105.07029	6.9
107.04928	1.1
107.08586	9.5
109.06495	0.8
109.09441	1.7
109.10138	19.2
111.08083	5.6
111.11705	99.2
112.12054	1.0
119.08566	4.8
121.06521	1.3
121.10121	6.1
123.11680	10.3
127.11174	2.9
133.10115	6.2
134.50664	0.8
135.11647	2.4
139.11154	3.3
147.11673	9.1
149.13162	0.9
161.13246	3.5
162.10371	1.0
163.14798	1.1
175.14754	1.5
203.17924	14.5
206.16243	1.3
221.04478	1.1
221.13393	1.3
221.15413	2.4
221.18985	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	[1S-(E)]-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane
Peak:m/z	Relative Intensity
55.05503	16.6
57.07067	2.8
59.04979	2.6
60.10338	0.8
65.98766	0.6
66.86440	0.6
67.05490	5.4
69.07056	100.0
70.74767	1.9
71.51648	0.6
73.06541	2.4
79.05486	2.0
81.07050	11.0
83.04971	0.8
83.08602	2.7
85.06518	0.9
91.05481	1.5
93.07037	5.1
95.08596	9.4
97.10156	0.9
99.08068	0.7
105.07006	4.8
107.08575	9.7
109.06493	5.1
109.10143	14.5
111.08080	4.4
111.11700	37.5
119.08553	5.9
121.10117	9.5
123.08057	2.5
123.10856	0.7
123.11696	2.2
125.09637	0.8
133.10078	3.7
135.11674	3.3
137.09576	3.5
147.11668	7.6
149.13232	6.1
151.11127	3.2
153.76434	0.7
161.13219	2.4
163.14799	7.4
165.12721	2.9
175.14795	1.4
177.16386	1.0
203.17924	12.6
221.18971	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	1.7
55.05503	8.2
57.07050	2.6
59.04977	1.4
67.05499	7.6
69.07059	9.4
70.73986	2.8
71.04592	1.0
71.04983	19.1
76.92038	0.9
79.05482	13.8
81.07047	51.3
83.04970	1.5
83.08608	6.2
85.06514	1.8
91.05447	9.0
93.07032	31.3
95.04964	1.7
95.08597	25.7
97.06504	1.2
97.10160	2.1
98.97587	1.4
99.08080	2.7
105.07014	20.4
107.08582	59.0
109.06490	3.2
109.10145	17.0
111.08040	2.8
113.09615	1.5
115.51958	0.9
119.08565	33.1
121.10154	7.2
123.08033	1.7
123.11678	15.4
125.09596	2.3
127.11156	4.4
133.10107	23.3
135.11670	100.0
135.30069	1.1
136.11972	1.4
137.09587	4.1
137.13220	3.5
145.10094	2.5
147.11670	18.1
149.13258	5.7
151.11168	3.4
161.13217	11.3
163.14783	3.6
165.12738	1.9
175.14792	3.3
177.16353	1.8
192.29974	1.0
203.17935	35.5
221.18976	41.6
222.11044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.59216	0.8
53.03936	2.0
55.05501	11.6
57.07073	4.3
67.05489	8.4
69.07056	10.5
70.72862	1.0
70.73222	2.8
71.04984	22.9
73.06519	1.3
75.53662	0.8
79.05480	16.5
81.07043	54.7
83.04948	1.2
83.08612	4.8
85.06511	1.3
87.08080	0.9
91.05468	9.0
93.07030	37.1
93.07619	2.0
94.38069	0.9
95.04935	1.7
95.08590	26.1
97.06504	3.2
97.10156	2.0
99.08067	4.0
102.79599	0.8
105.07011	23.2
107.08575	60.8
109.06471	2.5
109.10131	21.7
111.08055	3.4
111.11687	1.9
113.09624	1.9
116.98643	1.1
117.06981	2.2
119.08561	33.9
121.10117	8.1
123.08098	1.3
123.11678	16.0
125.09614	2.0
127.11156	4.8
131.08572	1.2
133.10114	20.1
135.11667	100.0
136.11996	1.3
137.09570	4.0
137.13205	3.9
145.10101	2.3
147.11650	21.5
149.13228	6.6
151.11150	2.8
161.13217	11.1
163.14838	5.0
165.12721	1.7
171.88736	0.9
175.14824	3.7
177.16389	3.1
203.17921	38.7
204.18217	1.0
221.18976	50.8
222.19214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	2.1
54.58297	2.0
55.05492	9.5
57.07063	4.8
67.05505	11.5
69.07058	11.4
69.81721	15.1
71.04987	25.5
71.46881	2.2
79.05480	16.5
79.05874	2.6
81.07047	58.0
83.08577	3.7
91.05463	6.7
93.07037	33.4
95.08603	26.1
97.06547	2.8
99.08076	3.6
104.49710	2.8
105.07027	29.9
107.08585	59.7
109.10145	23.2
119.08563	41.2
121.10127	9.1
122.60059	2.4
123.08044	3.7
123.11728	13.3
127.11148	3.0
133.10098	15.8
135.11676	100.0
141.16713	2.4
143.44461	2.5
147.11673	23.8
149.13258	8.3
161.13223	7.3
163.14784	5.2
175.14847	3.7
177.16299	2.7
203.17918	35.9
221.18983	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.97373	1.6
55.05502	22.9
57.07071	10.6
59.04992	2.6
61.29896	2.1
64.83752	1.8
65.03923	2.3
66.77497	1.8
67.05167	2.8
67.05495	33.3
68.55019	1.7
69.07056	46.2
69.42386	11.5
69.42792	3.2
71.04970	3.2
71.08599	3.9
79.05473	13.9
81.06577	3.6
81.07046	62.8
83.08612	22.1
85.06548	2.2
88.67451	1.9
91.05466	16.7
93.07024	33.6
94.77965	1.8
95.04970	2.2
95.08593	97.3
96.26133	1.7
97.06499	4.0
97.10159	6.3
98.21468	2.7
105.07017	63.6
107.08579	45.4
109.10142	73.6
111.08037	9.8
111.11691	3.6
119.08562	59.9
119.58979	2.0
121.10124	30.7
123.08087	2.5
123.11686	28.2
125.09629	5.2
131.08583	3.0
133.10112	51.5
134.56021	2.2
135.11676	20.4
137.09602	6.4
137.13245	12.6
139.11183	2.6
145.10091	5.6
147.10489	3.7
147.11665	72.6
149.13290	9.7
151.11174	5.8
159.11633	4.0
160.12440	4.7
161.13242	33.3
163.14774	18.2
165.12755	8.4
175.14835	6.3
177.16318	5.9
179.14331	2.5
186.53592	2.1
193.19533	5.0
198.09462	2.0
203.17923	100.0
206.10995	1.8
221.04292	2.0
221.15652	3.9
221.18987	96.0
222.19289	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
50.51212	2.3
53.03942	3.0
55.05500	14.7
57.32610	2.7
67.05486	12.1
67.76783	2.2
69.07057	19.1
70.77074	3.6
70.77411	4.5
71.04984	41.8
79.05484	19.8
81.07046	100.0
83.08591	4.5
91.05460	9.8
93.07027	53.4
95.04902	2.8
95.08597	42.2
97.06526	3.1
97.10140	5.9
99.08067	3.6
105.07018	47.8
107.08576	64.0
109.10142	41.1
111.08041	4.6
119.08562	73.9
121.10101	13.6
123.11695	17.0
125.09552	3.9
127.11154	9.8
129.66106	2.3
131.98936	2.3
133.10118	22.3
135.11678	92.0
137.13170	3.4
147.11679	34.7
149.13206	17.7
161.13234	11.9
163.14865	4.7
175.14790	5.1
175.34772	2.3
177.16327	5.7
198.64188	2.3
203.07121	2.5
203.17937	58.4
203.19716	5.0
221.15442	5.8
221.18977	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.07824	1.9
55.01853	2.8
55.05505	15.6
56.72377	2.0
56.96561	2.7
57.07063	7.0
58.58537	1.9
59.04994	2.3
65.03912	2.4
67.05493	20.9
69.03437	4.3
69.07059	18.2
69.65102	5.4
69.65512	10.6
71.04983	20.4
73.90969	1.9
79.05483	26.7
81.07046	76.8
83.04967	5.3
83.08606	7.0
85.06535	4.1
91.05465	27.9
93.07034	52.0
95.04963	6.1
95.08596	46.9
95.09163	3.6
97.06533	2.6
97.10161	2.8
105.07023	49.9
105.07681	4.1
107.08582	75.7
107.09294	4.6
109.06504	8.5
109.10150	28.6
111.08065	6.9
111.11639	2.9
115.05464	3.8
117.06990	5.6
119.04932	2.7
119.06021	2.0
119.08566	65.2
121.06504	7.2
121.10127	21.6
123.04398	2.3
123.08051	7.8
123.11685	25.4
125.09587	2.6
127.11210	5.7
129.07007	2.9
131.08565	4.6
133.06516	3.9
133.10114	36.5
135.08011	3.5
135.11678	100.0
136.11996	2.4
137.05962	4.3
137.09564	10.1
137.13254	5.8
143.08546	3.9
145.10126	5.7
147.04430	2.9
147.08040	6.2
147.11684	31.4
149.13226	9.0
151.03870	2.7
151.07535	2.8
151.11150	4.7
159.11584	4.7
161.05971	4.7
161.09596	5.5
161.13249	34.0
163.11212	3.0
163.14809	6.2
165.09106	2.3
165.12743	2.7
171.11320	2.2
175.07529	4.5
175.11211	3.0
175.14911	12.6
177.09120	4.2
177.16339	2.2
179.10652	4.6
179.75671	2.3
185.13295	5.0
193.08556	5.4
193.15794	3.1
193.80298	2.0
203.07043	4.8
203.10645	3.7
203.14270	9.0
203.17937	37.6
204.18143	2.4
206.16151	6.1
221.04468	8.3
221.08052	9.3
221.11664	7.5
221.15486	22.3
221.19028	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	222.001
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43161	0.2
70.71803	0.6
101.00844	0.4
102.42567	0.2
102.94328	0.3
117.48830	0.2
119.01902	2.0
120.94646	0.2
120.95386	0.8
137.02950	0.5
138.96358	5.5
154.28758	0.2
156.97456	84.9
157.97542	2.2
158.97903	0.3
168.97403	0.5
174.98517	100.0
175.98569	2.9
176.98927	0.5
177.96361	0.2
177.97928	0.3
179.99042	3.6
180.97382	1.3
185.96951	0.4
189.97948	0.4
198.00105	2.8
198.98509	22.3
199.98587	0.5
214.96632	0.2
216.99567	55.5
217.99588	1.5
222.00151	1.2
225.95271	0.2
240.01135	1.8
240.99461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58831	0.5
55.01850	0.6
55.05517	0.5
56.05030	0.5
56.96566	0.6
58.06582	0.7
59.06110	0.5
69.03411	0.6
70.06564	0.4
71.13844	0.4
76.99560	0.4
78.43338	0.5
91.05471	1.4
93.07024	0.7
93.32761	0.5
94.06529	0.5
95.04985	1.0
95.08593	0.6
96.52606	0.4
103.05446	1.2
105.07046	0.7
106.06532	0.8
106.89140	0.4
111.04427	0.5
112.01894	0.5
115.05484	0.6
117.07004	0.5
118.06509	1.1
119.04935	1.7
120.08083	11.5
120.08903	1.0
121.06505	0.6
122.07013	0.4
122.72884	0.5
123.04405	0.5
130.06506	100.0
131.04922	0.9
131.06854	1.9
132.03423	0.8
132.04431	16.0
134.99628	0.6
146.05937	0.6
147.04393	4.4
148.07549	30.6
149.02336	1.0
149.07985	0.7
151.03925	0.5
152.07042	0.5
158.05995	29.3
159.06419	0.5
162.06419	0.9
162.32658	0.5
163.03862	1.0
163.07388	0.7
165.09166	0.6
166.05038	0.4
176.07039	76.9
177.05498	1.0
177.07431	0.9
177.09064	2.5
178.09439	10.8
180.06496	0.5
180.10161	0.5
197.01164	0.5
204.06578	1.7
222.07538	6.4
222.11237	2.7
222.13264	0.9
223.06033	1.6
225.04259	1.2
227.02168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41713	0.6
51.94368	0.6
62.14861	0.6
67.05499	1.0
70.06572	1.0
71.04579	0.6
71.04900	1.2
77.03922	0.6
79.05474	1.3
81.03406	0.9
81.07044	0.9
82.06526	0.5
91.05458	1.8
91.82161	0.7
93.07014	1.0
93.87448	0.7
95.04982	1.2
96.04500	0.8
103.05447	2.3
104.04948	0.8
105.07011	1.4
107.04942	1.7
108.08075	0.7
110.06021	0.7
111.08070	0.7
115.05441	2.0
118.06517	1.2
120.08094	12.3
121.06452	1.2
123.04386	2.9
130.06508	100.0
131.04915	4.1
131.06848	1.7
132.04436	16.2
132.08066	1.1
133.02798	0.7
133.06459	0.9
135.04376	2.0
137.05969	1.0
137.09535	0.6
141.89522	0.6
143.04904	1.3
145.06540	0.5
146.06047	0.7
147.04390	1.2
148.04832	0.8
148.07545	27.7
149.02330	1.4
149.04855	0.6
149.06049	0.8
149.09584	1.3
150.05438	0.7
158.05997	31.7
159.04401	1.1
161.05940	2.6
162.05379	3.0
163.03874	3.1
176.07048	90.1
177.05431	2.6
177.07370	2.3
177.08875	0.7
178.08585	2.3
180.06522	1.0
181.04916	0.7
194.08182	1.5
204.06473	4.2
205.01289	0.7
205.04965	1.1
205.08733	0.6
222.07588	16.5
222.10892	3.5
223.02333	1.3
223.05974	1.4
223.13261	1.1
225.04262	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	222.0758
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01842	0.4
55.30056	0.4
56.96556	0.5
65.98976	0.3
67.05499	0.7
71.12175	0.7
79.05467	0.6
81.07024	0.4
85.02908	0.3
86.12072	0.3
91.05481	1.2
92.05849	0.4
93.07053	0.4
95.04965	0.6
98.97585	0.4
103.05455	0.8
105.07011	0.8
106.06557	0.7
107.04990	0.4
115.05393	0.7
117.06995	1.0
117.59671	0.3
118.06528	0.9
118.07328	0.6
119.04955	0.4
119.08521	0.5
120.08096	11.9
120.08879	0.4
121.06484	0.4
130.06505	100.0
131.04915	0.5
131.06860	1.6
132.04431	15.7
134.06007	0.5
145.06435	0.8
146.05969	0.8
146.99640	0.3
147.04395	1.7
147.06783	0.4
148.07547	26.8
149.02344	0.7
149.05962	0.4
149.07944	0.6
158.05991	28.1
159.06337	0.4
162.06454	1.6
163.03859	0.4
163.07263	0.6
173.05956	0.8
176.07039	75.9
177.05630	0.5
177.07387	2.3
177.09091	3.1
178.09421	11.9
192.06610	0.3
204.06531	1.8
205.08565	0.5
205.12306	0.3
207.13760	0.4
219.61024	0.4
222.07590	5.0
222.11137	3.4
223.05962	1.1
223.13428	0.4
225.04256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.43507	1.2
51.44103	1.3
53.03933	2.9
55.01860	3.5
55.05497	7.4
56.96534	2.2
57.03424	3.9
57.07064	2.8
59.04979	2.9
65.03915	2.2
67.05489	11.2
69.03416	8.6
69.07048	4.4
71.04977	6.8
71.52509	2.0
72.08177	1.4
79.05477	11.9
81.03404	2.7
81.07050	11.1
83.04965	7.0
85.02425	2.2
85.02897	33.2
85.06516	2.0
89.06016	2.7
91.05460	19.0
93.07029	23.8
95.04961	12.0
95.08594	19.4
97.02866	3.4
97.06507	5.2
97.10141	1.4
98.97574	8.9
99.04446	1.7
103.05466	3.6
104.58451	1.6
105.07018	25.0
106.04164	3.7
107.04946	8.6
107.08563	18.4
109.02860	1.4
109.06495	37.8
109.10138	6.0
111.04456	1.3
111.08068	6.2
115.05416	3.9
116.06216	4.2
116.98595	4.3
117.06998	11.7
119.04905	3.5
119.08572	17.3
121.06486	27.6
121.10126	78.8
122.10459	2.1
123.08047	100.0
124.08390	2.2
125.05966	1.7
125.09592	1.5
128.06204	1.7
129.06975	4.5
130.07751	3.0
131.08536	6.5
133.06445	4.6
133.07458	1.9
133.10118	7.9
134.07285	1.7
134.99590	3.4
135.04379	4.4
135.08020	13.4
135.11668	19.7
137.09586	29.1
137.10579	2.5
139.07535	4.5
139.11143	23.7
144.05670	11.4
144.09314	4.1
145.06458	5.9
145.10101	13.0
146.07195	3.6
147.04395	4.6
147.08041	11.0
147.11647	1.8
149.02324	9.7
149.05951	11.9
149.09599	13.8
149.13309	2.0
150.06256	1.6
151.03897	2.7
151.07523	51.0
151.11162	2.8
152.08299	5.5
153.09006	3.3
155.06036	1.6
158.99632	3.5
159.08020	17.7
159.11652	10.9
161.05997	2.7
161.09581	8.2
162.03014	1.8
162.10318	3.1
163.03874	5.6
163.07530	7.2
163.11157	45.5
164.04695	2.2
165.09084	54.1
166.09352	1.7
167.07043	4.0
175.11142	2.1
177.00713	2.3
177.05452	64.5
177.09068	6.8
177.12720	27.0
179.07066	2.0
179.10686	3.7
181.06511	1.7
181.12204	30.1
181.89792	1.3
187.07541	10.7
187.11168	6.7
205.08577	24.8
205.12216	28.2
219.01717	1.7
223.02477	1.9
223.05931	9.3
223.09708	10.7
223.13246	34.3
223.16879	5.1
225.04228	10.6
226.04387	2.0
227.02226	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	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03939	3.4
55.01852	4.4
55.05502	6.8
57.03424	3.0
57.04509	1.3
57.07058	4.9
59.04972	1.8
59.95793	1.5
61.16896	1.3
65.03926	2.5
66.36387	1.2
67.05503	8.4
69.03424	8.6
69.07054	2.8
71.04972	4.5
71.54134	2.6
71.54561	1.5
79.05480	10.9
81.03407	5.4
81.07047	10.4
83.04977	12.2
83.08599	1.9
84.08128	1.9
85.02892	3.1
85.06537	1.8
91.05453	18.6
93.07026	25.8
95.04956	13.4
95.08572	6.8
97.02888	1.7
97.06506	4.8
98.97575	1.8
99.04417	1.9
103.05459	2.9
105.07017	16.3
106.04127	1.8
107.04938	7.4
107.08578	14.4
108.05799	1.7
109.06512	28.7
109.10140	6.4
111.04446	1.4
111.08060	4.3
113.05992	5.0
115.05433	2.9
116.06236	1.8
116.98593	2.1
117.06995	9.6
119.04903	3.7
119.08582	13.9
120.08060	1.4
121.06484	24.1
121.08395	1.3
121.10124	19.3
121.10903	2.0
122.07206	1.7
123.04427	3.7
123.08049	10.7
125.05998	2.7
125.09615	2.7
128.06223	2.2
129.06992	3.4
130.06512	5.4
130.07764	1.7
131.04919	2.9
131.06889	12.8
131.08513	7.4
132.04463	1.8
133.04810	1.8
133.06456	2.0
133.10130	12.1
135.04424	3.7
135.08043	23.3
135.11665	5.9
137.05992	1.6
137.09590	8.9
139.07527	5.9
143.08537	3.6
144.05656	5.2
144.09305	4.2
145.06476	3.9
145.10144	8.7
146.07268	2.2
147.04361	2.2
147.08049	4.6
147.11748	2.3
148.04756	1.6
148.07478	2.4
149.02319	10.4
149.05965	8.1
149.09599	100.0
151.03918	2.3
151.07553	2.0
151.11186	5.0
153.09142	2.0
158.07259	2.1
159.06352	5.4
159.08014	9.8
159.11687	13.7
161.09596	18.6
162.03091	2.3
163.03909	4.2
163.07547	5.2
163.11154	13.8
165.09109	5.8
167.07024	5.1
172.08855	4.3
175.11131	2.6
177.05463	24.2
177.07628	11.9
177.09108	6.7
177.12703	20.0
179.06975	1.7
179.10710	11.3
181.12158	1.9
187.07576	4.2
187.11128	14.7
190.02550	1.6
191.69904	1.5
195.10225	2.5
205.08569	11.2
205.12186	29.5
223.05927	12.2
223.07811	2.5
223.09558	7.0
223.11411	2.9
223.13275	30.2
223.16672	7.9
225.04257	22.0
227.02203	6.5
242.97153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0552
Annotation	N-Malonylanthranilate
Peak:m/z	Relative Intensity
53.03918	5.2
64.65987	2.4
65.03934	13.9
69.03401	2.6
69.32805	22.1
76.40552	2.2
79.05485	4.2
81.03384	4.8
81.07037	3.1
83.04967	2.8
83.06095	3.0
87.00811	11.1
89.03838	2.8
90.03423	5.8
91.05465	6.3
92.04996	14.4
93.07032	2.9
94.06541	13.3
94.07353	2.9
95.04947	10.6
95.23334	2.9
97.02862	2.6
98.21614	2.4
105.07009	3.6
107.08656	2.6
107.49722	3.1
108.04482	12.3
108.32363	2.4
109.06523	3.5
109.10149	2.8
116.04960	5.4
119.04878	2.9
120.04450	86.4
121.02863	4.9
123.04408	7.8
123.08017	2.9
125.05959	3.0
125.75755	2.4
136.03917	70.7
138.04434	4.2
138.05484	80.3
138.10089	2.4
139.03870	8.2
139.07512	2.7
144.04367	4.7
145.02773	3.0
146.02367	100.0
146.03464	7.6
147.02728	3.1
149.03436	11.3
150.02693	3.3
154.06189	4.1
160.03836	3.4
160.08885	2.7
161.01158	2.6
162.05496	37.1
163.03865	7.3
163.11162	3.4
164.03398	97.0
178.04919	6.1
178.08456	3.7
183.06471	3.1
188.03419	21.8
206.04482	23.1
207.06531	3.9
224.05331	13.7
224.09128	7.6
224.13536	9.6
226.04248	10.2
228.02296	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	224.0551
Annotation	N-Malonylanthranilate
Peak:m/z	Relative Intensity
51.34826	2.3
53.03949	4.4
55.05504	2.5
56.96543	2.6
65.03941	12.3
65.41833	2.3
67.03273	2.6
67.05497	2.6
70.06589	3.6
71.48582	5.9
71.48933	2.9
87.00836	12.3
90.03453	5.6
92.05000	9.6
94.06549	14.5
95.04958	9.0
103.05460	2.6
105.07029	4.5
108.04486	13.2
108.39503	2.5
109.07609	3.0
116.05016	2.7
119.04919	3.1
120.04453	77.2
120.08105	3.1
121.02864	6.3
121.08473	3.0
123.04423	7.1
135.04399	2.7
136.03918	59.5
136.04903	4.6
138.04428	4.2
138.05492	79.3
138.06543	2.9
139.03899	11.0
139.27814	2.7
145.06538	2.8
146.02357	100.0
146.03426	4.6
147.04324	3.1
149.02333	2.7
149.03459	11.7
150.05493	2.8
154.06223	4.5
155.07068	3.2
160.11195	5.4
162.05507	33.0
164.03421	99.8
164.07083	3.4
164.55904	2.5
169.08702	4.5
183.06505	3.5
188.03490	10.9
206.04489	23.0
206.08076	3.5
224.05527	17.2
224.09171	6.9
224.12964	3.6
224.15053	2.8
224.17099	3.3
225.09016	4.5
226.04214	13.4
228.02219	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	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	20.7
55.05490	19.4
56.05033	13.7
56.96555	95.4
57.03417	26.9
58.06581	8.7
60.04488	14.0
61.02902	16.8
63.29590	9.0
66.99655	9.9
67.05491	29.5
68.05039	12.0
69.03407	40.3
70.06566	31.1
71.01332	11.4
71.53345	12.0
73.02905	28.6
77.03479	10.8
80.05031	12.2
82.06590	9.3
83.04965	11.4
84.04485	15.9
84.08103	22.0
85.02891	37.5
85.06489	10.0
86.06049	46.8
91.05481	10.8
95.04962	19.6
96.04459	29.3
96.08075	9.4
97.02885	26.0
98.06023	9.7
98.97574	32.0
99.04440	38.1
101.02348	15.5
114.05481	10.8
115.03944	18.1
116.98611	13.7
119.01829	11.8
124.03978	11.3
127.03896	15.0
129.01825	35.4
131.01868	10.0
142.04965	32.6
143.03365	12.1
150.05450	12.2
152.06969	12.0
157.01445	14.5
160.06102	18.7
160.07466	14.9
161.04401	23.7
162.05421	9.7
162.07625	18.2
178.04922	58.7
178.07150	73.4
178.08553	17.9
189.03900	22.0
199.49319	12.0
201.00664	14.0
201.02405	13.0
206.04478	32.9
224.07469	100.0
224.09486	18.9
224.10971	13.4
226.04362	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.2
56.96558	0.8
58.99871	0.2
61.06737	0.2
67.05508	0.3
68.98251	0.2
70.02390	1.2
81.03398	0.3
81.07005	0.3
82.99413	0.3
82.99860	0.5
84.96027	1.7
89.72352	0.2
95.08594	0.3
97.02870	0.2
98.21519	0.2
98.97600	0.6
99.04458	0.2
101.00861	5.9
102.97073	0.3
105.00308	0.3
105.03406	0.5
107.04979	0.2
109.06546	0.3
109.10159	0.2
116.98691	1.0
118.03505	0.6
119.01910	56.9
120.01972	2.0
121.01688	0.3
125.02364	0.5
131.01906	0.5
133.03482	0.2
134.99850	3.9
135.99969	0.2
137.02942	27.8
138.03064	0.9
138.06761	0.4
139.33727	0.2
140.98856	1.0
142.03484	4.6
143.01884	0.2
153.00935	3.4
153.05486	0.2
154.03496	0.3
154.06252	0.7
155.00143	0.5
157.03400	0.3
158.06633	0.3
158.99857	4.3
159.02942	0.5
159.06174	0.3
159.99982	0.5
160.04552	2.6
161.02975	1.3
164.02130	0.3
165.05145	0.5
165.26866	0.2
165.99623	0.3
169.08575	0.5
173.01256	0.4
173.02718	0.9
175.03015	0.8
177.00937	100.0
178.01022	9.9
178.03577	0.3
178.05650	0.2
179.00563	2.2
179.03972	1.9
182.03162	1.0
182.99742	2.1
183.01228	0.3
183.06195	0.8
183.07880	0.2
184.02034	0.3
184.04565	1.0
184.53511	0.3
185.53116	0.2
193.04050	1.2
195.02000	1.7
196.53061	0.4
198.53270	0.6
200.02538	3.6
201.00858	5.2
201.02486	2.0
202.00905	0.7
202.02623	1.0
202.05580	0.8
206.04341	1.1
206.54510	0.5
207.53799	0.5
217.01961	0.5
217.04065	10.0
218.03734	1.1
219.01979	87.8
220.02087	14.4
221.01720	2.0
221.05087	0.3
224.02448	0.4
225.00725	4.3
225.04280	0.5
225.09178	0.9
226.09747	0.2
227.99631	0.5
237.03050	0.3
240.05695	0.4
242.03568	4.2
243.01897	14.3
243.10696	0.3
244.01962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.88031	1.2
53.03921	1.8
55.01851	1.8
55.05497	5.3
56.96534	1.5
57.03420	2.4
57.07066	2.7
62.12965	1.4
65.03928	5.1
67.05480	6.7
69.03421	2.9
69.07050	2.0
69.74593	8.4
71.04978	3.8
71.97701	1.2
75.69472	1.1
77.03927	2.0
79.05476	8.6
80.91781	1.2
81.07050	11.5
83.01337	1.5
83.04958	4.7
83.08605	1.8
85.02895	25.5
85.06557	1.5
89.03909	2.3
91.05473	62.7
93.07045	9.8
95.04975	8.7
95.08598	7.3
96.35021	1.5
97.02862	1.3
97.06524	4.1
98.20731	1.6
99.04462	6.8
103.05482	2.5
105.03366	4.7
105.07015	9.8
107.04934	1.9
107.08583	15.7
108.05729	1.7
109.06538	7.4
109.10128	5.5
111.04457	2.9
111.08038	3.1
113.05981	1.7
117.03339	1.8
117.07042	1.6
118.04151	5.4
118.18069	1.2
119.04930	62.5
119.08568	15.9
121.06512	2.5
121.10127	12.4
123.04430	4.4
123.08046	7.2
123.11688	16.8
125.05958	5.6
125.09610	2.0
131.08501	1.3
132.02057	4.9
133.02855	2.0
133.10121	6.2
135.04396	2.4
135.11682	2.1
136.05171	2.4
137.05933	2.6
137.09593	7.3
138.06754	3.0
139.03871	3.2
139.07574	1.7
145.02850	1.9
145.10168	1.6
147.04391	54.9
147.07976	2.1
147.11674	3.1
149.02338	8.7
149.05983	1.8
149.09616	11.5
151.03807	1.7
151.07509	5.4
151.11171	1.9
153.05431	3.3
153.09131	2.0
154.06244	3.1
155.07005	2.6
157.03952	4.2
161.09641	3.3
161.13255	10.8
163.03909	2.3
163.11186	2.1
164.04674	6.8
165.05553	1.6
165.09106	4.4
165.12685	1.8
169.08592	4.3
169.66589	1.4
175.03894	81.3
177.01813	4.3
179.06982	7.0
179.10664	2.9
179.14276	4.7
181.12163	1.9
183.06577	2.4
189.12714	8.5
192.04150	28.3
197.08075	2.8
207.06505	100.0
207.13791	13.4
225.07330	2.4
225.09140	3.9
225.14836	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	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.23469	1.4
53.03931	5.7
55.01855	3.3
55.05499	2.2
55.37619	1.4
56.96561	2.5
57.07056	3.3
59.63473	1.2
65.03922	5.2
67.05490	3.8
69.03410	2.4
69.61056	1.3
71.04980	3.4
71.56027	2.2
77.03928	2.6
78.48106	1.3
79.05476	6.0
81.03363	1.1
81.07046	4.8
83.04965	6.0
89.03910	3.5
91.05470	75.5
93.07034	4.5
95.03516	1.3
95.04962	39.3
95.08600	3.8
97.02884	1.4
97.81366	1.2
99.04439	8.7
103.05447	6.3
105.03355	4.5
105.07033	2.6
106.06535	1.6
107.04922	4.0
107.08579	6.1
109.02862	1.4
109.06507	3.3
109.10137	2.3
111.04375	1.6
117.03371	6.3
118.04176	7.1
119.04929	67.0
119.08552	3.4
121.06476	5.9
121.10117	2.5
123.04418	32.8
123.08083	7.0
123.11663	2.2
124.99094	2.6
125.05970	2.9
131.04950	2.3
132.02040	4.2
133.02876	2.4
133.10118	1.8
134.06013	6.6
135.04375	2.5
135.08015	1.9
136.05222	2.0
137.05933	3.0
137.09605	1.6
138.06718	3.9
139.03922	1.5
139.07568	2.1
140.04671	7.9
141.06999	1.2
143.00143	5.5
145.02846	11.6
146.03516	3.2
147.04393	53.7
147.07953	2.0
149.02307	9.8
149.06007	2.3
149.09598	3.0
151.03973	2.3
151.07539	4.0
153.09116	2.1
154.06216	4.0
155.07001	14.1
157.03963	6.2
161.01242	8.8
161.02356	1.5
162.05484	14.8
163.03934	2.8
163.11177	3.9
164.04706	8.4
164.07056	8.5
165.05455	2.9
165.12767	1.9
167.07043	1.5
167.10632	1.4
169.08557	3.8
174.03221	2.4
175.03891	89.3
176.04335	1.7
177.01816	5.4
177.05463	14.4
179.06935	6.6
179.08357	2.3
180.04092	2.0
180.06532	8.8
181.12209	1.8
183.04854	1.6
183.06520	32.7
183.08022	1.4
185.01173	1.9
189.09088	1.6
190.04947	2.4
192.04160	27.6
193.04932	3.9
197.09621	1.9
203.02310	2.8
207.06374	100.0
207.13779	4.5
208.06047	26.7
225.07199	7.5
225.09383	2.5
225.14848	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	225.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69674	3.6
53.03938	8.2
55.01864	7.3
55.05512	22.6
57.03442	6.4
57.07066	6.9
59.04986	8.9
60.84348	3.7
61.02934	4.4
61.55087	3.0
65.03928	4.0
67.05501	48.5
69.03424	92.9
69.07064	27.7
71.04992	17.9
71.06290	8.7
77.86819	3.1
78.04647	3.4
78.70128	3.6
79.05489	32.8
81.03410	13.5
81.07049	73.2
83.04981	29.2
83.08591	11.0
85.02912	9.3
85.06528	5.7
87.04464	5.2
89.43364	3.3
91.05476	42.8
93.07042	46.0
95.04959	25.6
95.08594	44.3
97.02895	12.8
97.05962	3.4
97.06499	21.0
97.10133	5.4
99.04441	27.7
99.08109	6.1
103.05421	5.5
105.03399	4.3
105.07027	91.7
107.04942	15.0
107.08586	56.2
109.02830	4.7
109.06500	45.6
109.10132	27.4
111.04430	5.3
111.08059	16.8
113.05972	8.7
117.07003	6.3
119.04903	5.3
119.08569	50.7
121.06519	11.1
121.10122	48.2
122.07256	8.9
123.04445	20.6
123.08062	34.1
123.11710	15.5
125.05997	9.1
125.09643	7.2
125.70232	4.3
127.07513	3.8
129.07007	5.0
131.08549	8.2
133.06497	23.2
133.10114	100.0
135.08047	11.2
135.11673	11.7
137.05949	15.6
137.09599	51.6
139.11151	28.2
141.06967	4.7
143.08585	8.5
143.88474	3.7
145.10129	7.3
147.04456	5.7
147.08055	10.5
147.11671	45.5
149.09604	26.2
151.07555	19.2
151.11183	20.0
154.06229	11.9
155.02190	3.5
155.07008	3.9
156.09267	17.3
159.08067	6.5
159.11670	6.2
161.09590	30.1
161.13226	24.0
163.11128	18.1
165.05495	5.1
165.09059	4.1
165.12778	11.3
167.07182	4.5
167.10739	4.5
169.08597	12.6
171.11722	11.8
174.10437	12.8
175.03957	4.8
177.12808	7.3
179.10645	7.6
179.14317	4.6
181.08490	3.9
181.12216	5.7
189.09169	6.1
189.12729	32.9
193.04881	5.3
197.08095	7.7
207.06497	7.2
207.10066	5.3
207.13759	46.7
225.07378	5.0
225.09218	7.7
225.11154	6.0
225.14885	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	225.1118
Annotation	Isoacoramone
Peak:m/z	Relative Intensity
52.45713	1.5
55.01828	1.8
55.05498	6.8
57.03409	3.3
57.07053	4.1
65.03918	1.9
67.05499	7.4
68.99763	3.2
69.03409	4.0
69.07040	3.6
69.33562	5.7
69.33984	8.3
71.01318	1.7
71.04964	5.6
71.08597	5.8
77.43706	1.5
79.05474	7.1
80.68143	1.3
81.03381	5.0
81.06650	2.1
81.07041	23.3
81.83660	1.4
83.04949	5.5
83.08589	3.1
85.02869	5.5
85.06515	4.4
91.05445	5.0
93.07014	4.0
95.04958	7.3
95.08590	11.9
97.06480	1.8
98.20805	3.2
99.04417	6.6
99.08057	4.6
101.94983	1.8
105.03388	3.4
105.07027	2.7
107.04909	1.9
107.08544	4.0
109.06525	7.7
109.10128	4.0
111.04414	5.2
111.23422	1.3
113.09597	1.6
119.04913	6.5
119.08544	4.6
121.10091	4.9
123.04433	17.0
123.08064	10.5
123.11663	3.4
125.05936	3.6
125.09595	2.7
127.03890	11.9
133.10083	3.6
137.05960	16.9
137.09587	3.2
138.06705	5.3
139.03883	78.1
139.11133	1.7
141.06927	1.6
141.09076	17.9
147.04347	3.6
147.11676	2.9
149.09518	2.6
151.03851	5.1
151.07492	2.6
153.01790	2.0
153.05409	5.6
154.06232	8.0
155.03368	49.5
163.11119	1.7
165.05449	23.5
165.12793	2.1
167.06963	3.5
168.07729	1.9
169.08510	5.8
173.13184	1.6
179.06960	2.6
179.10596	2.4
183.10167	2.1
183.11696	2.3
193.04988	1.6
197.07990	4.5
197.09639	2.5
207.10155	11.6
207.13751	2.8
210.13974	1.7
225.09200	5.8
225.11153	100.0
225.14769	4.7
225.19510	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	225.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45713	1.5
55.01828	1.8
55.05498	6.8
57.03409	3.3
57.07053	4.1
65.03918	1.9
67.05499	7.4
68.99763	3.2
69.03409	4.0
69.07040	3.6
69.33562	5.7
69.33984	8.3
71.01318	1.7
71.04964	5.6
71.08597	5.8
77.43706	1.5
79.05474	7.1
80.68143	1.3
81.03381	5.0
81.06650	2.1
81.07041	23.3
81.83660	1.4
83.04949	5.5
83.08589	3.1
85.02869	5.5
85.06515	4.4
91.05445	5.0
93.07014	4.0
95.04958	7.3
95.08590	11.9
97.06480	1.8
98.20805	3.2
99.04417	6.6
99.08057	4.6
101.94983	1.8
105.03388	3.4
105.07027	2.7
107.04909	1.9
107.08544	4.0
109.06525	7.7
109.10128	4.0
111.04414	5.2
111.23422	1.3
113.09597	1.6
119.04913	6.5
119.08544	4.6
121.10091	4.9
123.04433	17.0
123.08064	10.5
123.11663	3.4
125.05936	3.6
125.09595	2.7
127.03890	11.9
133.10083	3.6
137.05960	16.9
137.09587	3.2
138.06705	5.3
139.03883	78.1
139.11133	1.7
141.06927	1.6
141.09076	17.9
147.04347	3.6
147.11676	2.9
149.09518	2.6
151.03851	5.1
151.07492	2.6
153.01790	2.0
153.05409	5.6
154.06232	8.0
155.03368	49.5
163.11119	1.7
165.05449	23.5
165.12793	2.1
167.06963	3.5
168.07729	1.9
169.08510	5.8
173.13184	1.6
179.06960	2.6
179.10596	2.4
183.10167	2.1
183.11696	2.3
193.04988	1.6
197.07990	4.5
197.09639	2.5
207.10155	11.6
207.13751	2.8
210.13974	1.7
225.09200	5.8
225.11153	100.0
225.14769	4.7
225.19510	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	225.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
55.01854	9.3
55.05501	20.8
56.96552	9.6
57.07061	5.3
65.03918	5.1
66.85150	3.6
67.05491	22.0
69.03416	20.6
69.07068	6.2
70.16705	3.8
70.17033	17.1
71.04985	26.1
79.05480	24.9
81.03405	8.4
81.07045	65.3
83.04959	12.8
83.08600	5.7
85.02900	8.3
85.06525	8.3
87.04471	4.5
91.05468	37.8
93.07030	53.4
95.04966	23.8
95.08602	21.0
97.02901	19.9
97.06529	8.4
98.97564	39.8
99.04448	53.0
103.05451	4.7
105.03372	11.9
105.06373	7.9
105.07018	89.9
107.04911	11.7
107.08584	39.2
109.06529	33.2
109.10144	15.7
111.04436	9.3
111.08044	15.2
116.98611	26.1
119.04915	13.2
119.08569	21.2
121.06466	12.0
121.10130	38.3
123.04413	11.7
123.08051	19.0
123.11768	7.5
123.96170	3.8
125.05998	11.7
125.09628	9.5
128.06206	8.0
131.08511	10.3
133.06419	10.6
133.10114	100.0
134.10452	4.5
134.99615	10.9
135.08044	7.9
135.11697	10.5
137.05965	32.0
137.09532	6.2
138.06720	9.4
139.03864	7.6
140.04669	5.0
143.08562	12.4
145.06511	3.7
145.10176	9.4
146.07249	7.0
147.04424	7.2
147.11671	11.8
149.09579	10.7
149.13216	11.3
151.07538	17.7
151.11174	13.9
153.05406	19.3
154.06259	9.3
155.06969	4.9
158.99663	10.9
161.09589	84.0
161.13249	8.2
163.11145	17.6
165.05453	10.9
165.06905	9.1
165.09129	5.8
165.12764	4.0
167.07001	52.1
167.10652	6.0
169.08623	10.2
169.10083	6.2
172.97923	4.1
177.00665	18.4
179.07147	5.4
179.10637	30.5
180.04144	6.5
181.04991	8.2
182.05713	4.9
182.07248	3.6
183.06342	4.0
183.11787	4.2
183.13730	7.9
189.09111	13.2
189.12674	8.7
191.14302	20.3
193.02690	3.5
193.04874	7.0
193.25323	3.6
197.06218	3.9
197.07994	8.8
199.33374	3.6
207.06564	10.1
207.10143	4.5
207.13826	14.4
210.06798	10.7
214.08452	6.6
224.10629	4.4
225.05585	7.2
225.07286	9.2
225.09425	23.1
225.11147	7.6
225.14864	13.6
226.09735	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	225.1118
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
53.03928	7.3
55.01854	9.3
55.05501	20.8
56.96552	9.6
57.07061	5.3
65.03918	5.1
66.85150	3.6
67.05491	22.0
69.03416	20.6
69.07068	6.2
70.16705	3.8
70.17033	17.1
71.04985	26.1
79.05480	24.9
81.03405	8.4
81.07045	65.3
83.04959	12.8
83.08600	5.7
85.02900	8.3
85.06525	8.3
87.04471	4.5
91.05468	37.8
93.07030	53.4
95.04966	23.8
95.08602	21.0
97.02901	19.9
97.06529	8.4
98.97564	39.8
99.04448	53.0
103.05451	4.7
105.03372	11.9
105.06373	7.9
105.07018	89.9
107.04911	11.7
107.08584	39.2
109.06529	33.2
109.10144	15.7
111.04436	9.3
111.08044	15.2
116.98611	26.1
119.04915	13.2
119.08569	21.2
121.06466	12.0
121.10130	38.3
123.04413	11.7
123.08051	19.0
123.11768	7.5
123.96170	3.8
125.05998	11.7
125.09628	9.5
128.06206	8.0
131.08511	10.3
133.06419	10.6
133.10114	100.0
134.10452	4.5
134.99615	10.9
135.08044	7.9
135.11697	10.5
137.05965	32.0
137.09532	6.2
138.06720	9.4
139.03864	7.6
140.04669	5.0
143.08562	12.4
145.06511	3.7
145.10176	9.4
146.07249	7.0
147.04424	7.2
147.11671	11.8
149.09579	10.7
149.13216	11.3
151.07538	17.7
151.11174	13.9
153.05406	19.3
154.06259	9.3
155.06969	4.9
158.99663	10.9
161.09589	84.0
161.13249	8.2
163.11145	17.6
165.05453	10.9
165.06905	9.1
165.09129	5.8
165.12764	4.0
167.07001	52.1
167.10652	6.0
169.08623	10.2
169.10083	6.2
172.97923	4.1
177.00665	18.4
179.07147	5.4
179.10637	30.5
180.04144	6.5
181.04991	8.2
182.05713	4.9
182.07248	3.6
183.06342	4.0
183.11787	4.2
183.13730	7.9
189.09111	13.2
189.12674	8.7
191.14302	20.3
193.02690	3.5
193.04874	7.0
193.25323	3.6
197.06218	3.9
197.07994	8.8
199.33374	3.6
207.06564	10.1
207.10143	4.5
207.13826	14.4
210.06798	10.7
214.08452	6.6
224.10629	4.4
225.05585	7.2
225.07286	9.2
225.09425	23.1
225.11147	7.6
225.14864	13.6
226.09735	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	225.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05488	2.5
51.02364	3.0
55.05513	16.1
57.03422	3.1
57.07076	3.5
67.05508	14.1
69.03421	9.1
69.07065	15.3
71.04988	13.5
71.52792	4.7
79.05484	21.8
81.07049	36.3
83.04964	7.9
83.08614	5.1
85.02887	14.6
85.06541	3.3
86.29834	2.6
87.04476	4.4
91.05463	31.6
93.07038	42.6
95.04975	12.3
95.08604	26.3
97.02874	4.8
97.06506	8.2
97.10181	2.9
98.82667	3.3
98.97553	2.8
99.04462	18.6
99.90400	2.9
105.03370	9.1
105.07021	100.0
107.04982	10.4
107.08591	32.6
109.06502	19.3
109.10134	15.2
111.04436	10.3
115.05540	3.5
117.07010	5.1
119.04921	11.1
119.08576	15.3
121.06505	7.8
121.10132	14.0
123.04426	10.7
123.08038	20.7
123.11671	21.7
123.12431	2.4
125.06004	12.1
125.09624	6.0
127.03894	2.7
128.06192	3.2
131.08560	5.8
133.06456	6.1
133.10115	77.3
135.08017	3.5
135.11697	7.2
137.05965	19.1
137.09608	9.5
138.06755	9.9
139.03905	6.4
141.06895	3.0
143.08546	9.0
145.10117	9.5
146.07257	5.8
147.04410	9.4
147.07950	3.7
147.11717	5.7
148.04747	4.4
149.05943	4.3
149.09618	4.9
151.07558	10.0
151.11205	6.4
153.05475	7.1
154.06244	15.6
161.09610	44.8
161.13258	7.7
163.11162	48.7
165.05505	6.7
165.06958	5.1
165.09119	5.5
165.12715	4.4
167.07045	41.8
167.10764	5.1
169.08617	10.9
169.10104	7.1
179.07092	3.8
179.10652	39.3
179.14276	3.4
180.04143	5.1
181.04970	5.4
182.05823	5.8
182.07225	5.4
183.13846	5.2
189.09074	7.1
189.12930	3.4
192.18762	3.0
193.04924	4.9
197.08113	8.1
197.09720	5.4
207.06497	5.6
207.10101	6.7
207.13821	9.8
225.07332	6.4
225.09367	20.9
225.12917	4.6
225.14816	10.7
225.16631	6.0
225.19621	4.4
226.09790	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.50435	0.6
53.03931	1.4
55.01862	1.4
55.05506	7.2
56.96552	2.4
57.03426	1.5
57.07063	1.9
59.04986	0.9
61.02897	0.7
65.03925	1.6
67.05495	4.2
69.03422	2.6
69.07069	2.7
70.06576	0.5
71.04986	6.1
71.10500	0.7
71.10848	1.2
75.30292	0.5
79.05467	5.0
81.03403	1.8
81.07051	7.8
83.04482	0.7
83.04969	12.1
83.08594	1.6
85.02872	3.3
85.06528	0.9
85.10161	0.8
89.03894	2.1
91.05473	7.9
93.07019	3.6
95.04953	100.0
95.08617	4.3
96.05291	0.9
96.96857	0.6
97.02864	2.2
97.06516	3.1
98.97561	2.1
99.04442	15.5
99.08057	1.7
103.05418	0.7
105.03387	2.6
105.07026	5.8
107.04926	4.4
107.08573	7.9
109.02849	0.9
109.06503	5.4
109.10145	4.0
111.04443	1.4
111.08063	2.3
115.03938	1.0
116.98637	0.7
117.03361	2.9
117.06995	0.9
119.04945	4.4
119.08556	5.9
121.01584	0.5
121.06500	1.2
121.10135	4.4
122.03639	0.7
123.04430	4.3
123.08049	6.7
123.11688	2.3
124.99124	0.8
125.05984	5.6
125.09627	2.0
127.03978	0.7
127.07598	0.8
127.11188	0.8
131.08487	0.7
133.02774	1.2
133.06436	0.6
133.10098	3.1
134.03609	0.8
134.99577	1.0
135.04370	1.9
135.08032	4.6
135.11626	1.0
137.05952	4.5
137.09618	2.4
137.13251	0.8
138.06740	2.4
139.03925	1.6
139.07568	1.1
139.11172	0.7
141.06882	0.8
141.09114	1.4
143.00127	4.4
143.08704	0.6
145.02812	6.3
145.10100	1.2
146.03282	0.9
146.99620	0.6
147.04387	4.6
147.08052	2.1
147.11732	3.2
149.02312	1.2
149.05913	1.1
149.09590	4.3
150.03044	0.8
151.07480	4.0
151.11124	1.5
153.05457	0.9
153.09081	20.5
154.06253	4.4
155.07027	1.6
161.01187	5.5
161.09593	2.2
161.13235	3.1
162.05482	1.0
163.03883	3.2
163.11165	6.7
164.07042	1.6
165.01816	1.3
165.05486	2.1
165.09068	1.3
165.12750	2.2
167.07051	2.0
167.10670	2.8
169.08598	2.5
171.11626	0.7
175.03873	5.2
177.00616	1.0
177.05457	9.1
178.05800	1.5
179.06967	1.7
179.10509	0.7
179.14270	1.4
180.04170	5.9
181.12280	0.6
182.05794	0.9
183.06453	4.4
183.13756	2.8
185.01260	1.7
189.00702	0.6
189.09145	1.3
189.12675	4.5
190.05110	0.8
192.04124	2.2
193.04898	3.7
195.06523	1.0
197.06039	0.6
197.08073	2.5
203.02174	1.5
204.06474	0.7
207.06401	5.6
207.09984	0.8
207.13774	4.8
208.05957	1.5
213.07069	1.0
225.04060	1.3
225.07243	3.1
225.09299	1.6
225.14806	12.8
226.09579	0.8
227.04071	1.1
233.87614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03928	3.2
54.34163	3.6
55.05513	14.9
57.01549	3.3
57.03416	4.3
57.07056	7.3
59.04974	6.5
65.03929	5.2
67.05496	21.1
69.03418	26.8
69.07044	12.8
70.59590	8.7
70.59947	4.8
71.04971	10.3
79.05481	24.5
81.07037	25.9
83.04967	76.2
83.08623	4.5
85.02885	6.1
85.06520	6.6
87.04432	5.8
87.90331	3.0
91.05463	25.6
93.07029	20.9
95.04947	18.3
95.08597	25.1
97.06519	22.9
99.04438	8.4
99.08051	24.8
101.05994	10.7
105.03381	5.7
105.07017	29.0
107.04934	9.3
107.08572	86.6
109.06503	56.7
109.10123	27.8
111.04421	29.9
111.08045	7.0
117.06986	4.0
119.04909	4.7
119.08566	27.1
121.06495	11.2
121.10134	36.0
122.07245	10.4
123.04395	4.6
123.08047	100.0
123.11684	8.9
125.05917	8.8
125.09613	12.3
127.07535	8.1
131.08539	3.5
133.10080	11.1
133.76688	3.0
135.08018	5.5
135.11642	10.3
137.09584	57.0
137.13235	9.2
139.11087	3.9
141.09076	5.6
143.08536	3.5
145.10060	18.2
147.04349	4.6
147.08029	6.3
147.11688	12.7
149.09610	23.0
151.07527	13.1
151.11153	55.4
154.06241	5.2
161.09567	7.2
161.13219	17.2
163.11177	36.9
165.09081	5.0
165.12686	9.4
167.10672	13.5
169.08562	7.2
171.11694	8.4
175.03944	4.3
179.10582	4.5
179.14261	7.5
181.12186	8.6
184.01476	3.2
189.12717	23.7
207.06531	5.0
207.13756	53.8
225.04474	3.0
225.09148	6.9
225.14803	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Corchoionol C
Peak:m/z	Relative Intensity
53.03932	4.1
55.01860	9.7
55.05507	21.3
57.03442	16.9
57.07073	14.8
57.81768	3.3
59.04998	42.3
67.05501	25.6
69.03424	30.2
69.07055	14.2
69.28748	8.2
69.29158	29.4
71.04966	8.8
75.04499	8.3
79.05495	20.5
81.07050	41.3
83.04980	92.8
83.08624	6.9
85.02913	9.0
85.06551	6.0
87.04458	30.7
91.05479	19.1
93.07050	49.7
95.04962	23.3
95.08604	81.8
97.06529	13.9
99.04453	8.0
99.08086	21.2
100.11243	9.7
101.06022	6.7
103.05507	4.5
105.07014	32.4
107.04953	24.7
107.08588	91.7
109.06509	71.6
109.10153	33.6
111.04420	36.9
111.08057	5.1
117.07055	4.0
119.04957	4.7
119.08607	22.8
121.06477	22.6
121.10132	100.0
123.04465	6.4
123.08062	97.6
123.11697	28.3
125.05975	33.9
125.09637	15.3
126.59042	3.7
127.07576	10.0
130.07855	5.2
131.07014	10.0
133.10120	15.7
135.08052	4.8
135.11707	25.1
137.09604	20.5
137.13225	3.8
138.06783	5.3
139.11172	59.6
139.41199	3.1
145.02843	4.0
145.10103	24.9
147.08043	5.6
147.11664	9.4
149.09608	39.8
151.07547	13.8
151.11209	12.1
154.06216	5.8
154.12260	6.6
155.07118	4.6
161.09586	11.1
161.13315	9.5
163.11180	51.9
165.09052	4.9
165.12779	17.9
167.10692	32.6
169.08623	25.1
179.10718	10.8
179.14301	5.6
181.12260	34.0
189.12772	12.6
207.13789	42.7
225.09122	9.2
225.11285	5.1
225.14838	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03939	6.3
54.31841	1.9
55.01857	4.8
55.05505	17.0
57.03417	4.6
57.07055	7.1
59.04980	5.3
65.03925	4.8
67.05499	33.2
69.03422	100.0
69.07056	18.3
71.04990	13.8
71.56445	4.0
73.02893	2.0
74.31222	2.0
79.05483	28.4
81.03402	11.5
81.07043	58.5
83.04970	19.9
83.08607	7.9
85.02897	7.8
85.06527	5.9
87.04436	4.2
91.05460	30.9
93.06516	3.3
93.07042	30.8
95.04959	22.3
95.08597	33.3
97.02897	7.0
97.06543	11.3
99.04427	16.9
99.08111	3.3
103.05466	4.1
105.03385	5.4
105.07017	69.3
107.04928	9.7
107.08587	31.2
109.06507	36.7
109.10146	18.8
110.07244	4.8
111.04422	4.3
111.08064	13.9
113.05984	2.7
115.05322	2.2
116.98615	2.0
117.07008	4.7
119.04931	6.8
119.08557	45.5
120.05531	2.0
121.06473	11.1
121.10137	35.6
122.07262	8.4
123.04416	24.2
123.08067	22.7
123.11697	10.9
125.05957	8.4
125.09631	5.1
127.03917	3.0
128.06259	2.5
129.06963	2.7
131.08569	4.9
133.06477	20.4
133.10114	78.2
135.08051	7.6
135.11665	6.9
137.05977	12.2
137.09607	53.0
137.10661	3.5
138.06700	5.6
139.03868	5.9
139.11162	23.0
141.06943	3.3
141.09108	2.5
143.08534	5.6
145.10094	8.5
147.04333	2.5
147.08022	10.9
147.11662	35.5
149.02397	2.7
149.05894	2.7
149.09573	14.9
151.07545	12.3
151.11163	11.7
153.05530	3.6
154.06236	16.7
155.02214	2.0
155.06967	2.3
156.09357	11.0
159.08038	4.8
159.11687	6.4
159.91350	2.1
161.09602	19.7
161.13234	21.3
163.11139	11.9
165.05531	4.2
165.09058	5.3
165.12743	8.6
167.07091	4.7
167.10707	4.9
169.08635	12.2
171.11716	11.2
174.10399	13.7
175.03920	8.1
177.12741	4.6
179.07065	4.4
179.08545	2.0
179.10663	8.8
179.14317	3.4
181.62082	1.8
183.07893	2.6
183.13818	3.7
189.09137	3.2
189.12711	32.3
189.98337	1.8
192.04089	3.0
193.04875	2.1
197.08034	6.6
197.09665	4.3
201.92697	1.8
207.06525	7.6
207.10135	3.9
207.13795	41.6
225.05618	2.6
225.09241	19.5
225.11194	2.8
225.14842	9.0
226.09653	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	225.1483
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.23383	0.7
53.03918	0.9
54.18657	0.7
55.05500	4.4
57.03426	2.0
57.07042	1.0
64.86595	0.8
67.05501	2.8
69.03418	2.3
69.07047	1.7
69.47817	1.7
69.48228	5.4
71.04993	0.9
75.19315	0.8
79.05475	3.1
81.07053	8.0
83.04973	51.3
85.06522	3.1
91.05471	2.6
93.07034	3.2
95.04961	4.0
95.08592	8.9
97.06524	1.1
99.08085	21.9
101.06023	1.1
102.53249	0.8
105.07016	3.7
107.04972	0.8
107.08576	10.3
109.06506	43.1
109.10149	1.7
111.04436	30.3
111.08021	1.1
113.09633	1.6
119.08575	4.6
121.06493	3.8
121.10120	5.8
123.08057	100.0
123.11694	2.5
124.08421	1.9
125.05966	1.3
125.09633	10.2
127.07546	7.0
131.08627	0.9
135.08060	1.2
137.09610	1.4
141.09084	3.6
145.10063	1.0
147.11728	4.2
149.09618	10.9
151.07527	3.8
151.11151	2.4
161.13210	1.7
163.11169	2.3
165.12735	7.7
167.10655	11.7
169.08623	1.7
181.12173	1.4
189.12759	2.3
207.13795	14.6
225.09222	1.1
225.12625	0.6
225.14804	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01860	3.3
55.05502	8.5
55.81874	1.5
56.26318	1.5
56.76165	1.6
57.07076	3.4
59.04986	5.0
67.05507	15.0
69.03429	22.3
69.07062	14.8
70.86783	3.8
71.01357	2.4
71.04987	23.3
79.05479	13.2
81.03417	2.7
81.07046	27.6
83.04983	23.8
83.08618	6.7
83.29014	1.8
85.06519	3.7
85.41408	1.8
85.91213	1.6
87.04456	6.0
91.05470	20.6
93.07040	21.3
95.04948	10.2
95.08604	21.6
97.02867	3.9
97.06522	17.2
98.10653	1.6
98.95900	1.7
99.04448	45.0
101.06007	13.1
105.07017	43.7
107.04954	5.1
107.08585	100.0
109.06503	25.5
109.10145	25.3
111.04460	1.6
111.08062	5.5
113.09641	2.0
117.06988	3.4
119.04918	4.8
119.06015	1.7
119.08575	19.6
121.06493	6.5
121.10135	35.0
122.07286	7.6
123.08064	30.4
123.11676	9.5
125.05934	2.0
125.09599	6.1
127.07523	3.3
128.06194	3.0
129.07021	2.1
130.07846	2.0
131.08592	3.3
133.06485	7.3
133.09224	3.0
133.10126	28.1
135.07990	3.4
135.11693	7.3
137.05949	3.2
137.09602	58.5
137.13206	8.4
138.06683	2.1
139.11154	2.0
141.09132	3.4
143.08553	8.3
145.10104	13.5
147.08028	6.9
147.11670	12.0
149.09601	9.2
151.07539	7.5
151.11171	74.1
156.09305	4.1
160.08844	3.0
161.09610	26.1
161.13235	16.4
163.11172	34.2
165.12755	8.2
167.10652	10.6
169.08705	1.6
171.11618	8.0
179.10680	5.8
179.14229	10.4
183.13808	13.8
189.09108	4.0
189.12727	16.4
207.13777	64.5
214.08586	2.4
225.14810	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00982	1.2
55.01854	1.5
55.05492	3.3
57.03424	1.7
57.07051	3.2
65.03924	2.2
67.05499	7.2
69.03406	2.2
69.07053	1.8
71.04981	3.0
71.06422	1.9
79.05477	5.8
81.07050	21.8
83.04972	6.9
85.02898	100.0
85.06490	1.0
91.05480	16.7
93.07047	7.7
95.04952	4.1
95.08582	7.4
97.06513	3.4
99.04437	3.5
101.25405	1.0
105.03378	2.4
105.07020	8.8
105.70656	1.0
107.04943	2.7
107.08588	8.6
109.06518	5.2
109.10144	13.3
111.04415	2.4
111.08062	2.2
118.04098	1.4
119.04934	15.7
119.08573	8.9
121.06477	2.4
121.10144	13.0
123.04392	2.0
123.08086	7.5
123.11694	78.1
125.05988	9.3
125.09601	1.7
131.08551	1.4
133.06441	1.1
133.10112	2.1
135.07999	1.9
137.05984	1.8
137.09593	2.2
138.06760	1.6
141.05449	1.4
141.09052	2.4
145.10086	2.0
147.04402	14.5
147.08028	2.6
147.11659	4.6
149.02298	2.8
149.09608	16.3
151.07518	5.1
151.11162	1.2
153.09096	1.4
154.06232	3.3
157.42198	1.0
161.09615	1.9
161.13278	5.6
163.11197	3.6
165.09094	2.2
165.12704	3.1
167.10594	1.2
169.08607	3.0
171.11707	1.8
175.03889	19.7
179.07042	1.4
179.14255	2.8
180.04256	1.4
189.12726	6.7
192.04155	5.8
197.08154	2.1
207.06493	23.2
207.13794	25.8
213.12756	1.2
220.46310	1.0
225.07353	1.2
225.09230	1.5
225.14870	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.72409	1.9
53.03942	2.0
55.01871	3.8
55.05507	12.6
57.03417	8.1
57.07074	2.9
59.04988	8.3
60.04558	1.9
64.76820	1.7
67.05502	17.4
68.99783	2.4
69.03423	19.0
69.07059	11.8
69.60249	14.8
71.01346	1.9
71.04965	6.1
79.05492	23.0
81.03424	3.1
81.07051	38.2
83.04965	19.5
83.08613	3.4
85.02896	5.4
85.06515	2.9
87.04473	10.0
91.05466	18.1
93.07034	43.6
95.04959	14.0
95.08597	26.7
97.06516	15.6
98.20818	2.7
99.04421	7.8
99.08071	3.2
101.06008	4.0
105.03402	5.3
105.07020	48.2
107.04932	4.2
107.08579	42.7
109.06499	27.7
109.10142	21.0
111.04450	11.3
111.08087	11.0
113.09608	2.2
117.06999	4.8
119.04870	3.3
119.08569	27.5
121.06485	7.5
121.10135	18.7
123.04401	3.1
123.08032	25.9
123.11673	15.4
125.05965	5.7
125.09623	3.8
129.06981	2.5
131.04871	1.8
131.08507	6.5
131.85162	1.6
133.06480	5.0
133.10092	15.5
135.08063	7.2
135.11670	6.4
137.05946	10.0
137.08633	3.1
137.09599	33.1
137.66640	1.7
138.06737	1.8
139.07529	2.7
139.11136	5.8
141.06895	1.9
141.09084	3.3
142.14240	1.8
143.08531	4.8
145.10094	5.3
147.04379	4.1
147.08026	8.0
147.11664	14.9
149.09610	18.1
151.07512	6.1
151.11163	100.0
154.06250	4.9
155.10690	2.3
156.09283	5.2
159.11632	4.7
161.09604	11.7
161.13254	20.1
163.11157	9.7
165.06985	3.9
165.09084	10.0
165.12698	5.8
167.10614	2.8
169.08609	5.3
171.11691	8.4
174.10364	3.1
179.10645	26.4
179.14212	5.2
181.12218	8.1
189.09038	2.1
189.12720	24.6
207.10352	3.5
207.13786	98.1
208.14169	2.3
210.06783	3.4
225.09061	5.2
225.11052	3.0
225.14792	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.00312	0.5
53.03935	1.1
55.01646	0.5
55.01868	5.3
55.05505	3.1
57.03437	0.8
65.03931	6.8
66.46247	0.5
67.05495	3.2
69.03405	1.5
69.07053	1.8
70.91888	1.5
71.04980	1.5
73.02909	41.4
79.05479	1.9
81.03421	0.7
81.07035	1.4
82.03721	0.6
82.04181	3.1
82.06580	0.5
83.04951	0.5
83.08604	1.5
85.02895	5.8
91.05479	4.2
93.03390	1.9
93.07033	2.7
95.04958	9.4
95.08572	0.9
97.02898	1.4
97.06544	3.5
98.97586	0.9
99.04428	0.8
99.08046	1.2
100.11240	8.9
103.05468	1.0
105.07014	1.0
107.04950	1.3
107.08570	1.8
108.02086	1.1
109.06501	1.4
109.19035	0.5
110.03652	4.4
111.04440	2.4
111.08036	0.8
115.07555	0.8
117.27182	0.6
119.08568	0.6
121.06504	2.7
121.10144	1.4
123.00742	0.9
123.04409	9.0
123.11670	0.6
125.02338	1.9
125.05976	1.9
125.09690	0.9
131.08614	1.1
132.02173	0.6
133.10141	1.2
135.04333	0.6
137.02344	0.5
138.03174	2.5
139.03877	0.7
139.11160	0.6
140.04669	55.1
141.04982	0.6
142.02603	3.4
153.05467	1.5
153.06732	0.5
153.09097	1.2
155.07018	51.8
156.07343	0.9
165.53671	0.5
166.06253	0.7
167.07047	5.0
171.06517	6.7
173.08069	5.4
173.13263	1.1
177.05394	0.9
179.06963	2.6
181.04941	100.0
182.05292	1.7
195.06503	1.7
199.11122	0.7
209.08058	20.0
209.16521	1.8
210.08339	0.9
215.05641	0.9
217.87679	0.5
220.74724	0.5
227.07053	1.0
227.09027	13.8
227.17453	1.8
228.09319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01851	11.6
55.05509	27.3
56.96558	6.7
65.03918	4.9
67.05493	25.0
69.03433	11.3
69.07069	21.6
69.62017	27.3
70.74284	4.0
71.04966	14.9
79.05479	24.6
81.03384	6.2
81.07047	45.7
83.04970	7.4
83.08603	11.1
84.04478	9.7
84.08126	5.7
84.36459	4.5
85.02903	6.3
85.06540	5.1
91.05457	18.5
93.07037	62.9
95.04956	10.6
95.08572	16.2
97.02850	5.3
97.06493	10.9
98.97560	14.7
99.04445	40.3
100.10653	6.0
100.11247	72.4
101.05996	7.4
105.07001	39.0
107.04910	5.1
107.08588	46.3
109.06511	10.4
109.10143	13.4
111.04445	4.0
111.08067	5.2
117.06977	9.1
119.08594	20.7
119.09280	4.3
121.06545	22.0
121.10130	90.7
123.08022	4.7
128.06166	4.5
129.07034	4.8
130.04990	11.3
131.08557	5.0
133.10123	11.0
135.08025	13.7
135.11659	17.1
143.08492	10.4
145.10117	36.8
149.05952	5.0
149.09598	9.3
151.07578	7.1
155.07079	5.9
158.99612	7.9
163.11160	100.0
167.07101	22.9
168.06477	5.8
171.11618	4.9
177.05479	5.1
181.04979	5.7
181.10110	4.6
181.12204	32.8
185.09596	4.9
191.10629	48.0
195.06538	20.7
199.07587	4.6
199.11049	6.0
201.08238	4.2
209.07901	7.4
209.09798	6.6
209.11678	10.8
209.16640	7.0
212.08150	4.8
219.91510	4.2
227.06989	18.0
227.10506	10.8
227.12619	10.1
227.17693	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
54.99124	4.0
55.01863	6.4
55.05495	13.5
57.03423	3.5
63.99757	3.1
65.03926	4.4
67.05511	20.3
69.03422	5.2
69.07056	12.4
70.72372	3.3
70.72699	9.2
71.04969	13.0
73.40425	3.4
79.05481	24.9
81.07052	15.9
83.08604	6.6
85.06517	7.3
86.09674	6.6
88.41401	3.1
91.05473	17.4
93.07040	51.3
95.04964	9.5
95.08601	8.1
97.02897	3.7
97.06542	4.1
97.10172	4.8
99.04441	28.7
100.11253	24.8
101.23777	3.5
105.07031	50.4
107.08585	94.9
109.06499	9.9
109.10143	5.9
111.08081	3.7
113.06026	5.6
116.98573	4.5
117.06998	5.2
119.08549	18.4
120.03448	3.3
121.05717	4.1
121.06509	20.2
121.10128	54.8
123.04417	4.1
123.08051	4.5
133.10049	5.4
135.08022	10.0
135.11659	21.5
138.06503	3.9
143.01892	3.5
145.10104	44.7
147.11629	4.8
148.10965	3.8
149.05980	5.9
149.09607	7.3
153.06970	7.6
153.09088	3.4
153.12654	3.2
155.08485	4.6
157.06493	10.2
163.11162	100.0
167.03404	6.5
167.07005	21.2
171.08006	6.9
171.11655	3.5
173.09637	10.0
173.13231	3.5
181.05031	5.7
181.06418	19.9
181.12219	30.4
184.91743	3.7
191.10651	57.2
191.14230	5.3
191.18301	3.3
195.06493	3.4
199.07475	9.7
199.11157	3.8
209.06001	7.9
209.11653	17.8
227.07005	59.1
227.10687	7.5
227.12791	8.3
227.17760	5.9
230.12956	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.74926	3.9
53.03934	11.2
55.01863	10.2
55.05492	18.0
56.96560	32.5
57.03422	13.1
57.07062	16.4
61.02911	6.9
67.05489	15.0
68.53708	4.2
69.03426	31.0
69.07046	16.7
71.04973	14.6
71.57376	4.8
73.02900	17.8
79.05473	22.9
81.03392	16.5
81.07058	25.4
83.04974	9.9
83.08623	11.6
85.02894	47.9
85.06513	20.9
87.04469	8.3
91.05491	22.5
93.07028	54.0
95.04951	13.5
95.08597	17.0
97.02885	57.4
97.06512	9.3
98.03249	4.2
98.97574	16.9
99.04442	25.3
100.11266	35.7
105.07022	42.9
107.04939	6.9
107.08582	99.3
109.02873	12.5
109.06482	8.2
109.10139	10.7
111.08057	7.5
113.06024	5.9
116.98612	11.0
117.07031	4.2
119.08566	17.6
121.06520	22.2
121.10118	46.0
123.04427	12.8
123.08040	5.5
125.05985	5.1
127.03893	20.7
128.98541	9.5
131.08543	5.0
133.10051	5.1
134.99634	7.2
135.08028	11.3
135.11676	18.8
137.05981	5.5
138.11159	4.7
139.03902	12.4
140.04701	7.3
143.00175	4.5
143.53627	4.1
145.04980	6.7
145.06387	5.4
145.10071	37.0
149.05975	11.1
149.09592	7.1
151.03908	10.4
152.06187	11.4
153.01819	15.2
153.09097	7.8
155.03358	20.2
155.07002	6.1
161.01225	7.0
163.11172	100.0
163.12506	7.6
165.06989	5.8
166.07765	5.7
167.03416	12.3
167.07022	54.9
167.08534	16.4
169.06400	6.6
171.02861	20.3
171.04947	4.8
171.11729	6.5
173.04588	5.9
177.00677	7.6
177.05400	15.8
181.10271	5.6
181.12224	28.4
181.13571	5.3
184.05165	5.8
185.04572	5.3
185.13219	4.4
191.10655	51.8
195.06418	10.9
195.08081	15.6
195.10194	4.3
197.06097	4.0
199.07481	7.7
199.11226	4.6
204.21738	4.0
206.05266	7.7
208.31354	4.1
209.08080	12.4
209.11707	12.2
209.16556	6.9
211.09641	31.8
212.08295	6.8
215.05634	24.5
224.06281	25.0
224.56477	5.1
225.00822	8.0
227.06909	15.1
227.08813	10.3
227.10922	37.9
227.14435	5.2
227.17691	15.8
237.02678	5.8
243.01793	8.3
249.04367	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	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03937	3.2
55.05504	14.8
57.03426	17.4
57.07059	5.9
59.04993	8.8
59.06745	1.9
61.50545	2.0
67.05495	19.1
68.52785	2.1
69.03429	23.6
69.07053	19.0
69.33661	2.1
71.04984	16.6
71.24106	4.9
75.04480	4.2
79.05499	12.0
81.07041	32.5
83.04962	20.0
83.08578	9.9
85.06538	6.5
91.05456	12.5
93.07031	23.2
95.04962	5.2
95.08601	28.8
97.06516	6.0
97.10152	5.4
99.08070	3.4
100.11246	2.7
105.07015	19.1
107.04952	2.6
107.08578	100.0
109.06515	14.0
109.10141	68.4
111.08051	12.4
113.09612	2.0
117.07079	3.1
119.08570	9.6
121.06481	6.0
121.10126	88.2
122.07262	4.7
123.08057	11.3
123.11668	12.8
125.09612	20.8
127.07531	3.1
129.09102	3.0
131.08559	11.2
133.07590	2.3
133.10094	24.1
135.08041	21.6
135.11662	16.4
135.33574	1.9
137.09599	43.9
137.10568	3.5
137.13225	3.7
138.09790	1.9
139.11166	17.1
143.08482	3.0
143.10640	3.3
145.10094	3.9
147.11644	18.0
149.09662	11.7
149.13225	50.6
149.14351	3.6
151.09932	4.4
151.11157	89.8
153.09100	9.0
153.12781	2.9
158.10918	3.9
163.11127	2.1
163.14801	34.0
165.12733	6.8
169.12213	14.1
173.13245	43.4
191.14281	82.4
209.15335	16.3
227.16402	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.9
57.07072	2.2
59.04989	1.5
62.33075	0.7
67.05489	2.3
69.03418	1.8
69.07047	2.6
69.33058	8.1
71.04994	7.3
79.05486	2.0
81.07058	4.4
83.04971	1.9
83.08602	8.5
85.06544	2.7
89.73827	0.7
91.05473	2.2
93.07030	6.0
95.04958	27.4
95.08605	2.3
96.80003	0.8
97.06524	3.9
97.10184	1.0
99.04447	3.2
99.08085	6.4
100.11248	100.0
105.06999	2.3
107.08595	5.4
109.06520	4.3
109.10155	2.8
110.06052	0.9
111.08054	1.4
113.09614	1.1
115.07568	1.7
119.08590	2.5
121.06526	1.0
121.10129	4.9
123.11681	2.2
124.18903	0.8
125.09615	3.5
127.07576	4.3
127.08520	0.7
131.08560	1.3
133.10117	9.0
135.11725	2.2
139.08678	1.0
139.11165	3.4
143.10643	1.9
147.11655	1.1
148.07491	0.8
149.13216	2.2
151.11113	1.1
153.06990	1.0
153.09067	7.5
158.33934	0.8
163.03926	1.7
163.14801	1.4
167.07063	2.9
171.10165	5.3
173.13284	2.7
181.04932	1.6
181.06480	2.4
191.14310	2.5
195.06631	1.0
209.16624	15.7
227.07065	2.2
227.10638	1.5
227.12822	1.1
227.17863	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	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03935	1.3
53.88060	1.1
55.01861	1.9
55.05497	7.3
55.75874	1.1
57.03415	4.2
57.07061	3.6
59.04984	4.5
65.03928	2.0
67.05488	6.6
69.03437	1.8
69.07061	9.6
69.64164	7.9
71.04983	22.4
73.02913	3.0
73.06538	3.1
75.04463	1.3
79.05475	5.2
81.07039	13.7
83.04960	2.8
83.08587	3.2
85.06547	6.2
90.98257	1.2
91.05459	5.4
93.07028	15.4
95.04952	100.0
95.08588	12.8
97.06510	20.9
97.10160	3.2
99.04431	12.9
99.08080	23.8
100.11243	10.3
105.07004	8.8
107.08575	15.7
109.06484	17.2
109.10136	9.6
111.08042	5.9
113.06017	1.3
113.09591	1.9
115.07551	20.2
117.06963	1.2
119.08536	6.3
121.10118	17.7
123.08014	2.6
123.11684	5.7
125.09609	7.9
127.07539	10.6
129.07007	1.4
131.08574	2.5
133.10110	31.8
135.08047	3.8
135.11705	6.2
137.09547	1.8
139.11177	11.2
140.04683	1.8
143.10660	2.9
145.10086	2.4
147.11653	5.3
149.09544	1.1
149.13197	6.0
151.11151	4.9
152.59906	1.4
153.09081	24.3
153.10326	1.7
155.06996	3.9
163.14767	4.6
165.12744	1.6
167.07042	2.4
171.10143	11.7
173.13249	12.7
181.04924	6.4
191.14278	9.0
209.15236	11.1
227.06995	2.0
227.14084	2.0
227.16336	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03916	1.4
55.01847	1.4
55.05503	8.5
57.03445	4.8
57.07039	3.7
59.04974	3.5
66.38538	0.9
67.05470	3.3
69.03416	4.9
69.07067	8.3
70.92740	1.9
71.04630	1.4
71.04983	19.0
73.06529	1.5
74.39884	0.9
75.04456	1.3
79.05492	5.1
81.07056	12.4
83.04941	3.9
83.08588	3.8
84.79768	1.0
85.06533	7.1
85.96455	1.2
91.05452	4.4
93.07030	11.3
95.04959	100.0
95.08596	10.5
95.62384	1.0
96.05262	1.2
97.06520	13.6
97.10140	4.2
99.04457	13.8
99.08080	23.1
100.11237	13.1
103.05462	1.7
105.06992	7.8
107.04926	1.3
107.08588	17.7
109.06499	13.4
109.10149	5.9
111.08071	4.9
113.09594	1.1
115.07555	5.0
119.08587	5.1
121.06473	1.9
121.10117	11.7
123.08027	2.5
123.11665	4.4
125.05918	1.2
125.09621	8.8
126.69478	1.1
127.07540	9.8
131.08513	3.2
133.10115	25.1
135.07977	2.9
135.11644	3.4
137.09538	1.0
139.11166	7.7
143.10669	6.5
145.10027	1.7
147.11708	4.8
149.09541	1.1
149.13252	5.5
151.11113	3.0
153.07100	1.2
153.09088	27.1
157.06406	1.1
158.10835	1.4
163.14743	4.1
165.12654	1.2
167.07042	9.1
171.10141	13.1
173.13254	9.8
181.06502	5.0
181.07927	0.9
181.08514	1.0
191.14223	5.5
195.06471	1.7
209.05887	1.7
209.07884	1.8
209.15265	12.3
227.06981	2.6
227.10533	1.8
227.16331	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.40501	1.2
53.03939	1.4
53.69870	1.4
55.01869	7.5
55.05505	22.1
56.96554	1.7
57.03435	8.0
57.07061	7.9
59.04988	4.7
60.28551	1.4
60.36249	1.5
67.05492	15.2
69.03426	7.0
69.07057	14.5
69.75430	4.3
69.75850	5.2
71.04984	53.4
73.06549	2.5
75.04468	3.7
79.05481	12.9
81.03416	2.6
81.07046	18.2
82.06585	3.8
83.04972	8.4
83.08614	10.7
85.06534	18.1
87.04451	1.8
91.05444	8.4
91.58104	1.9
93.07031	23.1
95.04958	93.9
95.08588	21.4
97.06520	20.8
97.10143	5.3
98.97583	1.8
99.04443	100.0
99.08092	20.7
100.09447	1.6
100.11246	43.5
105.07010	14.6
107.07850	2.5
107.08578	42.4
109.06512	16.1
109.10136	14.8
110.06012	3.3
111.04429	3.4
111.08054	7.8
113.09625	3.9
115.07575	4.1
115.98107	1.4
117.07010	3.1
119.08578	9.5
121.06483	5.3
121.09303	2.0
121.10131	35.9
123.04480	1.4
123.08038	11.3
123.11696	16.7
125.05975	2.2
125.09601	15.4
127.07576	8.9
129.05396	1.6
131.08543	5.2
133.10112	33.6
135.08041	5.6
135.11685	7.3
137.09587	4.5
139.11157	13.9
141.06870	1.6
141.11453	6.3
143.08588	2.2
143.10651	3.8
144.85649	1.4
145.10124	5.7
147.11627	7.7
149.09552	4.3
149.13199	9.0
151.07535	2.6
151.11198	7.8
152.06042	1.7
153.09079	26.2
153.12711	2.8
154.12212	3.3
163.11140	8.6
163.14792	5.1
165.07043	2.3
165.12706	1.9
166.07814	3.1
167.07022	11.9
167.08537	7.4
167.10683	1.6
169.08598	15.3
169.09914	2.3
169.12260	4.7
171.10191	12.4
173.13235	13.1
181.04982	1.9
181.06511	1.7
181.08566	1.9
181.12254	4.1
182.15385	5.6
183.13718	8.7
191.10687	4.2
191.14284	15.6
194.07205	1.8
195.08035	7.7
197.05919	3.1
199.18015	2.9
209.07948	1.8
209.09796	2.0
209.11711	2.5
209.15202	16.3
210.14888	1.9
212.08383	1.8
213.17801	8.6
227.06982	4.3
227.10677	18.9
227.12706	3.6
227.16246	37.5
228.13992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71438	2.3
55.01851	4.8
55.05497	14.0
57.03431	18.5
57.07060	7.6
59.04989	8.2
67.05492	24.4
68.98524	2.2
69.03423	18.9
69.07057	21.0
70.85896	4.0
70.86237	3.4
71.04984	15.3
71.09595	2.7
75.04461	4.6
79.05481	17.1
81.07053	33.6
83.04973	23.8
83.08614	13.4
83.82265	2.3
85.06525	9.7
85.54153	2.6
87.46689	2.1
91.05458	12.0
93.07023	34.0
95.04941	13.0
95.08585	23.9
97.06513	6.8
97.10143	2.7
99.04442	7.5
99.08098	4.1
100.11233	11.0
105.07027	25.6
107.08580	85.3
109.06528	19.0
109.10140	65.2
111.08061	10.0
116.98595	2.5
119.08581	12.7
121.06488	7.9
121.10129	74.9
121.11004	4.8
122.07288	6.7
123.08054	9.0
123.11678	12.5
125.09589	19.0
131.08575	15.0
133.10104	22.3
135.08044	17.2
135.11647	17.2
137.09599	40.7
137.10561	4.0
139.07579	2.9
139.11145	14.1
143.08568	4.7
143.10599	3.9
145.10092	8.2
147.11656	11.5
149.09579	10.3
149.13234	34.0
151.11166	100.0
153.09106	7.1
153.12755	5.1
156.09331	4.3
158.10875	5.3
163.11183	10.7
163.14809	30.1
165.12682	6.1
167.06999	3.1
169.12219	29.3
173.13243	45.2
175.90366	2.1
181.08568	2.3
181.10164	2.1
181.12096	4.1
181.16959	2.3
191.10603	7.2
191.14287	74.8
191.84700	2.4
192.14748	2.5
204.38051	2.2
209.15280	11.6
227.07022	3.3
227.10631	6.5
227.16135	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.64809	2.6
53.03930	4.0
55.05506	20.4
56.71428	2.2
57.03424	25.6
57.07066	6.7
59.04993	10.2
60.31107	2.1
67.05495	29.6
68.12722	2.8
69.03421	19.6
69.07070	25.0
69.55876	8.3
69.56293	12.2
71.04984	16.6
75.04468	5.7
79.05491	15.8
81.07050	33.1
83.04974	23.3
83.08614	12.8
85.06537	9.1
91.05482	14.4
93.07020	21.3
95.04952	8.1
95.08593	25.3
97.06537	8.0
97.10162	5.3
99.04464	6.6
99.08087	5.1
100.11215	12.5
105.07020	20.3
107.08583	91.9
109.06504	18.5
109.10147	79.1
109.10899	4.5
111.08064	15.1
119.08582	10.3
121.06501	7.5
121.10131	77.5
121.11006	4.3
122.07288	5.9
123.08033	10.3
123.11709	16.6
125.09605	22.1
131.08565	13.2
133.10095	22.7
135.08043	13.6
135.11647	14.5
137.09608	40.3
139.11153	9.1
143.08556	4.4
143.10658	4.0
145.10115	9.5
147.11703	9.0
149.09612	10.7
149.13242	31.2
151.11163	100.0
153.09131	7.3
153.12724	6.2
158.10872	6.5
163.14806	33.0
165.12788	5.2
167.14339	3.7
169.12228	29.2
173.13232	41.1
181.10034	2.7
191.14288	81.3
209.15343	11.1
227.06892	2.7
227.10443	4.9
227.16539	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.66935	1.3
55.05497	8.9
57.03426	6.2
57.07067	4.4
58.78106	1.3
59.04993	3.7
62.23458	1.5
63.18544	1.4
67.05491	6.3
69.03421	4.7
69.07066	10.7
70.21342	3.5
70.21759	4.0
70.30202	1.4
71.04985	28.1
75.04471	1.9
79.05489	5.4
81.07049	15.0
83.04971	3.1
83.08608	4.0
85.06543	9.9
91.05477	6.5
93.07037	18.4
95.04959	100.0
95.08601	12.3
97.06518	19.7
97.10166	4.6
99.04443	25.3
99.08084	30.3
100.11233	7.8
105.07029	10.9
107.08578	24.8
109.06500	15.9
109.10159	12.0
111.08072	6.1
113.06009	1.8
113.09685	3.2
115.07551	5.2
119.08570	7.2
121.06496	1.9
121.10130	34.8
123.08060	4.8
123.11701	8.5
125.09623	14.3
127.07520	13.3
131.08565	5.9
133.10120	32.8
135.08041	5.6
135.11687	6.8
137.09599	3.7
139.11157	11.2
143.02011	2.0
143.10661	6.6
145.10132	5.4
147.11635	7.5
149.09674	2.0
149.13248	10.3
151.11186	10.1
153.09085	28.6
163.11266	2.5
163.14825	8.9
165.12708	3.3
166.17001	2.0
167.07019	2.4
169.12263	1.9
171.10153	13.4
173.13249	15.0
183.13838	1.9
191.14281	15.7
209.15277	16.0
227.14328	1.9
227.16354	40.7
237.25221	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	229.122
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.01599	0.8
55.01862	1.9
55.05509	3.3
57.03420	1.3
57.07056	1.1
59.21935	0.9
62.06256	0.8
67.05496	10.1
69.03412	2.2
69.07058	3.3
69.23549	0.8
69.37157	8.4
71.04964	0.9
79.05493	3.5
81.07040	3.5
83.08591	1.4
85.45811	0.9
91.05469	9.3
93.07044	4.3
95.04967	3.5
95.08608	3.3
103.05448	1.0
104.03342	0.9
105.07027	10.9
107.04955	0.9
107.08601	5.1
109.06511	2.6
109.10164	4.9
111.08088	0.8
115.05408	4.3
117.06985	4.8
119.08578	6.8
121.06500	2.6
121.10112	2.5
123.07993	1.5
128.06203	16.4
129.06998	21.5
130.07755	1.5
131.08551	10.5
133.06448	1.3
133.10141	5.0
134.23579	1.0
135.04384	1.4
135.08028	3.1
141.06998	12.0
142.07780	15.3
143.08553	26.4
144.09341	3.5
145.06503	4.1
145.10115	10.0
147.11682	3.6
149.05994	1.2
152.06290	1.5
153.06982	11.4
154.07768	6.3
155.08540	27.9
156.09317	7.0
157.10114	14.6
158.07274	3.0
158.10895	1.1
159.08049	11.2
159.11650	9.9
161.09669	1.4
165.06989	1.5
166.07776	1.1
167.08586	5.3
168.09334	26.6
169.06454	2.3
169.10115	36.2
170.10893	13.8
171.08012	4.5
171.11659	2.9
172.08777	5.0
173.05940	2.1
173.09590	11.5
173.11809	1.5
173.13181	6.8
174.10387	1.2
175.11131	1.0
178.07805	1.3
179.08496	1.2
181.06470	5.0
181.10109	3.4
183.11679	48.7
184.12479	4.9
185.09624	4.7
185.13252	17.7
186.06805	1.1
186.10422	8.9
187.07549	13.8
187.11165	18.8
187.14812	1.5
193.10185	5.7
195.08018	2.0
196.08809	9.3
196.12457	2.0
199.07678	1.4
200.11993	5.9
201.09158	1.4
201.12726	21.9
201.16364	2.6
211.11150	18.2
211.14774	3.0
214.09828	2.3
214.13551	2.4
229.08502	3.3
229.12228	100.0
229.15771	34.1
229.19527	3.2
229.23537	1.3
230.12521	1.8
247.13188	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	229.1221
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03936	4.6
55.05509	2.2
65.03941	0.8
67.05504	2.7
69.03419	23.4
69.07054	0.9
70.74905	0.8
77.03918	0.5
79.05499	2.1
80.47050	0.4
81.07041	2.2
83.04973	3.1
83.08607	0.7
85.06523	0.4
91.05473	6.8
93.03391	1.6
93.07026	8.2
95.04922	2.3
95.08585	0.9
98.97523	0.5
103.05423	0.7
105.04521	0.6
105.07015	9.2
107.04930	0.6
107.08559	0.9
109.02863	20.3
109.06483	1.5
109.10140	1.3
115.05441	1.6
116.06216	0.5
117.07010	2.7
119.04882	0.6
119.08557	9.1
121.06491	9.9
121.10107	1.3
123.11649	0.7
128.06198	2.7
129.06990	6.1
130.07758	1.7
131.08545	15.7
133.06445	0.9
133.10107	11.7
135.04369	0.6
135.08038	1.4
141.06949	2.6
142.07774	3.9
143.08536	14.3
144.05713	0.7
144.09337	5.9
145.06477	4.7
145.09030	0.8
145.10110	12.2
146.07126	0.6
147.08032	0.9
153.06937	3.5
154.07794	1.2
155.08528	7.3
156.09338	1.2
157.06494	0.7
157.10086	3.8
158.07236	1.8
158.10893	18.1
159.08046	9.5
159.11667	10.2
160.08804	0.6
161.06035	0.5
161.09586	1.4
167.08545	1.8
168.09319	5.8
169.10066	2.5
170.10873	7.3
171.08047	8.8
171.11671	2.1
172.08813	9.9
173.09602	43.7
173.13231	46.5
174.06718	0.5
174.10014	0.8
174.13513	0.7
175.07509	1.8
178.07796	0.7
181.06465	3.2
181.10040	0.8
183.11667	12.4
185.09564	2.3
185.13261	2.9
186.10374	27.3
187.07674	3.5
187.11150	72.9
188.08296	0.7
188.11493	1.6
189.09120	0.8
193.10075	2.2
193.15955	0.4
195.08060	1.1
196.08820	7.5
199.07500	3.0
201.12715	63.3
202.13039	1.1
211.11148	13.2
211.16936	0.9
214.09851	6.1
229.12202	100.0
230.12517	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	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12870	0.6
50.26165	0.5
53.03944	1.5
55.05510	8.6
57.03431	19.4
57.07072	1.0
59.04995	4.6
65.03932	1.3
66.94949	0.6
67.05498	100.0
68.05817	0.8
69.03419	0.7
69.07065	2.0
69.85654	1.4
69.86090	2.2
71.04984	3.6
72.71546	0.6
73.44624	0.6
79.05492	2.3
81.07049	13.2
83.08610	6.7
85.06532	2.5
86.14120	0.6
91.05466	6.1
93.07029	3.9
95.08594	4.4
96.57553	0.7
98.20775	0.8
105.07050	1.4
107.08578	2.5
109.10146	80.8
110.10467	0.8
111.08065	2.8
119.08575	7.0
127.11207	0.7
128.06189	1.2
129.06956	0.9
131.08456	1.0
137.09616	4.4
141.06937	0.8
142.07736	1.0
143.08524	2.0
153.06944	0.9
155.08511	2.2
155.10635	4.0
155.55003	0.6
157.10060	1.4
163.81517	0.6
168.09253	2.0
173.11726	23.4
183.11679	4.5
201.12666	1.0
211.11057	1.5
229.08485	1.4
229.12195	3.4
229.14264	20.4
229.23524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45990	0.2
53.41987	0.3
55.01863	0.6
56.96553	0.8
57.03434	0.7
58.06593	6.2
59.07365	1.4
60.08158	8.2
61.02913	0.8
68.05021	1.2
69.03404	0.4
69.59050	1.6
69.59454	0.6
70.06586	38.9
71.04990	0.5
72.08177	0.8
73.02929	0.4
73.39526	0.3
81.04528	0.3
82.99862	0.3
85.02896	0.6
96.08123	1.8
97.02862	0.4
98.06041	0.9
98.20716	0.4
98.97569	1.1
101.00874	2.2
112.49228	0.3
114.05515	4.3
114.06320	0.3
114.06628	0.3
114.09184	2.0
115.02504	0.3
116.07085	1.0
117.99437	0.3
119.01907	7.3
120.01989	0.6
124.07587	3.5
126.09145	0.7
128.02328	0.3
128.98587	0.3
131.01878	1.3
133.03445	0.5
137.02931	1.9
142.08620	35.2
143.01964	0.4
143.08871	0.3
144.99791	0.6
145.03438	0.3
146.99570	0.3
147.01334	0.4
148.03857	0.3
151.04588	0.3
157.03503	0.3
161.02895	0.4
162.01782	0.5
168.99713	0.4
170.08131	2.0
174.06599	0.3
175.04442	0.3
175.28091	0.3
177.02252	0.3
183.07660	0.7
183.11493	0.3
187.00903	2.1
187.04408	0.3
196.99222	0.4
201.02469	0.4
205.01941	0.7
210.02588	0.3
215.00294	1.1
217.00735	0.3
229.15451	100.0
230.15785	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	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01856	0.6
56.96550	0.9
57.03428	0.4
58.06592	5.6
59.07372	1.2
60.08153	6.6
68.05006	1.0
70.06583	32.8
70.22718	0.3
70.97072	0.5
70.97418	0.3
71.04974	0.3
71.06918	0.4
72.08141	0.6
96.08118	1.6
97.02953	0.2
98.06016	0.4
98.97581	0.8
101.00854	0.3
114.04791	0.4
114.05518	4.0
114.09148	1.7
116.07115	0.6
116.98597	0.7
119.01902	1.5
124.07578	3.2
126.09098	0.6
131.08511	0.3
137.02895	0.3
142.08612	30.6
143.00136	0.3
143.08727	0.4
152.89255	0.3
163.03879	1.0
168.09401	0.3
169.02492	0.3
170.08095	1.2
183.11671	0.6
187.00865	0.4
187.04607	0.3
190.03142	0.3
207.22974	0.3
208.40730	0.3
215.03920	0.3
229.15439	100.0
230.15752	2.2
233.05002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.52539	1.4
56.96528	1.1
67.05515	1.1
69.84529	7.4
75.44668	1.3
80.82582	1.2
91.05482	6.3
93.07008	3.2
95.04958	1.2
105.07005	14.6
109.06470	2.4
117.07001	2.8
119.08565	21.4
128.06216	2.7
129.06963	2.2
130.07741	3.2
131.08533	5.0
133.06476	13.7
133.10109	2.5
135.08075	1.6
141.06989	2.2
143.08554	4.0
145.10101	29.2
147.04410	1.8
147.08026	4.1
147.11671	43.3
156.09314	9.8
157.10094	1.8
159.08015	3.2
161.09601	1.2
169.09746	1.9
171.11697	8.4
172.11092	1.4
174.10353	3.6
184.12006	2.8
185.13249	1.2
188.14154	1.4
189.12726	96.8
215.13112	1.3
230.15378	100.0
231.15796	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	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.5
55.01860	2.6
55.05498	3.7
56.96292	2.4
56.96558	39.8
58.99849	1.8
65.03912	2.1
67.05481	3.4
68.86988	1.5
69.03413	3.6
69.63537	10.4
70.06582	26.4
71.04978	9.4
72.08125	2.4
73.06525	3.8
74.97597	3.7
79.05486	1.6
81.03387	1.8
81.07043	4.0
84.08136	3.1
84.96001	3.8
85.01374	2.4
85.02876	2.1
88.03965	7.9
89.03886	6.0
91.05464	4.3
95.04959	3.1
95.06047	2.6
95.76336	1.6
97.02866	2.7
98.06023	3.4
98.97561	5.8
99.04493	1.9
101.00859	11.3
103.02434	20.5
105.00316	3.4
105.06989	3.7
111.04427	1.8
112.07568	9.9
112.08698	3.4
113.06010	4.9
115.08661	4.4
116.98609	7.8
117.03295	2.9
117.04001	6.5
119.01904	79.8
119.08547	1.8
121.03484	15.8
123.01170	4.0
124.99081	5.4
128.06169	1.8
129.06998	4.4
130.08635	8.8
131.00128	2.9
131.01874	3.8
131.08594	2.6
133.03429	7.1
134.99617	5.2
135.04341	6.9
135.05135	4.1
136.04684	3.2
137.01947	2.7
137.02953	34.4
140.06967	1.6
141.02240	2.7
142.03497	2.5
142.07777	2.6
143.00154	12.8
143.08510	3.9
145.03503	41.5
145.10129	3.1
146.99643	3.0
147.01376	26.0
147.03258	6.5
147.04355	2.6
147.07993	1.9
149.01173	2.1
150.99089	3.9
151.04480	2.4
157.06427	3.0
157.09985	2.8
159.03198	3.5
159.11754	1.8
161.01199	26.2
161.02911	17.9
161.09599	2.6
162.99086	2.1
163.03940	36.9
164.04233	15.2
165.02412	11.0
165.04318	4.0
168.05003	2.2
169.03497	1.7
171.01376	16.0
171.11359	7.8
172.09627	27.5
172.10857	5.0
173.02896	2.8
173.09319	2.0
174.04314	1.7
175.03877	3.4
175.06206	2.3
175.07585	2.0
177.00703	4.0
179.02315	3.3
179.03989	6.0
183.03473	4.5
184.02905	2.5
184.04549	1.7
185.01221	7.3
185.02884	4.0
185.09680	2.8
185.13194	4.5
187.02867	3.2
187.04510	5.3
188.04585	3.8
189.02423	100.0
191.03978	3.0
191.05794	1.7
192.08992	2.0
201.02357	1.7
203.02231	7.5
203.14326	1.9
207.03474	23.5
212.04050	8.4
213.05482	3.0
213.12679	2.2
214.11949	8.8
215.04025	1.9
216.04057	3.9
217.03860	3.8
231.01691	5.7
231.03458	25.2
231.06641	5.5
231.10033	4.3
231.14482	30.0
233.05016	10.0
234.05191	9.9
235.04790	9.0
242.13734	1.6
249.02328	10.5
249.04584	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	231.0649
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
50.89124	0.2
52.04346	0.2
53.03941	1.8
55.01860	0.9
55.05500	1.1
56.96546	0.3
57.03428	0.5
67.01859	1.8
67.05493	2.3
68.99774	1.5
69.03419	3.8
69.07056	2.3
71.04990	1.6
71.20131	0.5
71.20473	0.3
77.03918	0.4
79.05479	2.5
81.03417	0.6
81.07043	3.5
83.01334	0.6
83.04973	0.5
83.08602	0.4
84.60699	0.2
84.61263	0.2
85.02888	0.5
85.06537	0.5
87.04464	0.3
87.36165	0.2
88.25347	0.2
91.05474	2.0
93.07033	3.3
95.04960	3.9
95.08596	2.3
97.02872	1.3
97.06530	0.6
97.10190	0.3
98.97570	0.3
100.60303	0.2
103.05415	0.3
105.03377	29.1
105.04517	1.0
105.07012	2.7
106.03685	0.4
107.04950	0.6
107.08582	2.0
109.02886	0.4
109.06491	0.5
109.10146	0.6
111.00739	0.3
111.04418	0.5
113.05983	0.3
115.05442	0.3
117.06995	1.1
119.04939	0.2
119.08575	1.8
121.02761	0.3
121.06493	1.0
121.10136	1.6
123.04357	0.5
123.08076	0.4
128.06247	1.1
128.56047	0.2
129.06953	1.3
130.07799	0.3
130.68639	0.2
131.08527	1.5
133.06488	0.6
133.10109	2.2
135.08040	0.7
135.11662	2.7
137.05928	0.3
137.09636	0.2
139.07513	0.3
139.11194	0.3
141.07008	0.4
142.07770	1.3
143.08551	3.0
145.10127	1.8
147.04369	0.2
147.08015	1.1
147.11676	0.5
148.12108	0.2
149.09601	0.6
149.13231	0.5
153.01805	100.0
153.12738	0.9
154.02118	1.3
155.08543	0.9
156.09332	0.6
157.06456	0.4
157.10115	2.1
159.08073	0.8
159.11702	1.5
161.09610	1.0
161.13240	0.4
165.06961	0.7
170.07269	0.4
170.10878	1.3
171.02869	1.6
171.08038	1.1
171.11667	1.3
171.13797	0.3
173.09625	0.8
175.03934	0.4
175.07570	0.6
177.12723	0.9
180.09322	0.5
183.08075	0.5
183.11765	0.3
185.05923	0.4
185.09634	1.0
185.13222	2.4
187.11096	0.2
189.09090	0.6
189.12704	0.6
190.13072	0.7
195.11678	1.4
195.13797	0.8
198.10382	0.8
203.14268	0.9
213.05458	0.4
213.09166	0.5
213.12737	3.5
231.06490	24.4
231.10210	1.2
231.13762	5.2
231.15781	0.8
232.06795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1377
Annotation	Volvatellin
Peak:m/z	Relative Intensity
50.01577	1.3
53.03934	2.1
53.21977	1.0
55.01839	2.3
55.05499	5.5
57.03423	2.1
57.07064	1.6
67.05488	4.0
69.03418	51.6
69.07041	4.5
70.09343	5.4
71.04951	1.3
72.96034	1.1
79.05477	11.3
81.03394	1.6
81.07038	11.0
83.04944	3.8
87.04451	7.9
91.05466	14.2
91.81957	1.0
93.07030	12.2
95.04946	4.4
95.08582	4.2
97.02895	1.1
97.06501	1.8
103.05481	2.6
105.07009	24.5
107.04942	6.1
107.08562	4.8
109.06518	4.1
109.10143	1.6
111.04401	2.2
115.05418	3.6
117.06989	7.5
119.04925	1.5
119.08556	21.1
121.06474	5.3
121.10148	6.1
128.06204	10.4
129.06996	9.8
130.07736	3.2
131.08536	12.2
133.06488	3.9
133.10107	81.5
134.10455	1.4
134.20508	1.2
135.08037	1.9
137.08444	1.1
137.09537	2.0
141.06949	5.0
142.07750	12.0
143.08540	25.4
144.09233	2.1
145.06470	3.8
145.10094	19.2
146.07277	1.6
147.04349	1.1
147.07988	4.6
147.11627	1.8
149.05904	1.4
149.09653	1.4
151.07571	1.7
153.06979	4.2
155.08559	11.6
156.09306	15.1
157.06477	5.7
157.10100	26.6
158.07198	1.5
159.08018	3.7
159.11668	4.3
161.05972	1.7
161.09575	4.8
161.13150	1.3
165.06979	20.0
167.08554	2.2
168.57489	1.1
169.06494	1.6
169.10104	4.4
170.10904	26.1
171.08015	15.1
171.09349	1.8
171.11662	22.8
172.08792	6.5
173.09560	4.8
175.03917	2.2
175.07524	5.2
175.11113	2.1
175.14874	1.4
179.08507	2.4
180.09305	21.3
183.08012	12.7
183.11601	1.4
184.08804	1.7
185.09610	7.3
185.13225	33.9
187.11136	2.4
187.14807	1.6
189.05367	1.3
189.08905	2.0
189.12703	3.4
195.11656	49.0
197.09642	1.9
198.10368	23.6
199.07594	1.6
203.06944	2.4
203.10748	2.1
203.14264	3.8
213.09113	5.3
213.12706	100.0
214.13077	3.9
222.55203	1.1
231.06508	3.0
231.10237	9.7
231.13745	46.4
231.17422	3.1
236.08203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03930	2.4
55.01860	2.6
55.05496	3.0
62.45639	0.8
63.79945	0.9
67.05493	3.5
67.88000	0.9
68.99773	2.0
69.03422	51.7
69.07056	4.6
70.73630	1.6
70.73982	2.6
74.19949	0.9
79.05482	9.5
81.07048	4.0
83.04952	1.8
85.02891	1.4
87.04463	6.8
91.05475	10.0
93.07037	9.8
95.04931	4.5
95.08611	2.7
97.06510	1.2
98.97564	1.2
102.87116	1.0
103.05484	2.1
105.07019	19.0
107.04932	8.4
107.08578	3.0
109.06491	2.3
111.04404	2.8
111.08060	1.3
115.05420	2.5
116.98583	1.4
117.06991	5.0
119.04914	1.3
119.08569	15.5
119.59653	1.0
121.06481	4.7
121.10120	5.4
123.04349	1.1
123.08023	1.7
125.05997	1.6
128.06210	7.8
129.06984	7.4
130.07770	1.9
131.08575	10.5
133.06485	2.2
133.10121	41.0
135.08011	2.1
137.05939	1.4
141.06975	4.1
142.07729	8.3
143.08542	20.6
144.09325	2.1
145.06477	3.2
145.10086	15.1
147.04398	5.2
147.08064	4.5
147.11617	1.3
149.05965	1.6
149.09602	1.7
153.06969	2.3
154.07684	1.2
155.08528	11.7
156.09317	10.9
157.06500	5.3
157.10114	22.7
158.07225	2.0
159.08022	3.0
159.11642	2.6
161.09607	2.0
165.07001	19.4
167.08446	2.2
169.10092	2.1
170.10895	20.6
171.08047	11.4
171.11679	21.4
172.08788	3.7
173.09657	1.8
175.07523	4.8
175.11154	1.4
179.08495	2.5
180.09322	22.2
183.08057	7.7
183.11632	1.6
184.08826	1.3
185.09621	5.5
185.13255	27.1
186.13678	0.9
187.11197	1.3
187.14806	1.3
189.05486	1.3
189.09099	2.3
189.12720	1.8
195.11682	42.6
197.09639	2.0
198.10379	18.0
203.07066	1.5
203.10643	1.0
203.14252	1.9
213.12718	100.0
214.13103	2.5
216.11436	1.1
231.06415	7.2
231.10120	4.1
231.13785	46.3
231.17421	2.2
232.14255	1.1
249.02946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34415	1.2
53.03925	1.3
53.05560	1.3
55.01853	2.2
55.05502	2.6
56.96560	67.6
56.96828	3.1
57.03402	2.7
58.06555	1.4
60.04525	7.4
60.05630	2.6
67.05453	2.4
68.05000	2.2
69.03379	2.6
69.07032	1.2
70.06584	100.0
71.04985	38.8
71.06915	6.0
71.49963	2.7
71.95213	2.2
72.08115	3.8
73.02893	1.9
73.06519	2.8
74.06040	1.5
74.97606	8.4
79.05453	1.9
81.03376	3.8
81.06993	2.0
82.71259	1.1
84.04459	2.9
84.08115	6.0
84.95978	4.9
85.02860	1.7
85.06510	2.8
88.03983	27.4
89.03905	7.0
90.94801	1.4
91.05451	3.0
92.98616	1.5
93.03347	1.3
93.07044	1.5
95.04923	1.7
95.06088	9.1
97.02831	3.9
97.07631	2.4
98.06065	6.2
98.06546	1.4
98.17251	1.2
98.97571	7.2
99.04453	3.3
100.03940	1.4
101.00823	2.2
102.05476	4.2
103.02390	3.0
105.06963	3.4
107.04897	3.7
109.02823	1.5
110.97516	1.4
111.09141	3.1
111.25969	1.5
112.07592	31.1
112.08720	10.6
113.05994	11.3
113.07091	3.0
113.98627	1.9
115.08677	19.0
116.00146	1.5
116.07059	2.1
116.98618	9.8
117.03345	6.2
117.06929	1.9
119.01136	1.6
119.01901	19.6
119.08516	2.1
121.01576	2.1
123.01139	5.5
123.04328	1.4
124.99028	3.7
127.03871	1.4
127.08620	1.6
128.06172	1.5
128.07019	3.8
128.98535	4.8
129.06970	2.5
129.10187	1.4
130.08636	27.1
130.09612	1.3
131.00133	2.9
131.01878	7.0
131.07018	1.8
131.08542	1.4
131.99614	4.2
133.01639	1.9
133.03409	2.5
134.01254	1.5
134.99663	8.1
135.04318	10.4
136.04692	2.7
137.02946	7.3
139.03831	1.5
139.08591	1.4
140.06972	5.8
140.08099	2.5
141.02145	4.6
142.08595	1.6
143.00150	15.6
143.08792	3.8
144.09108	2.4
145.01646	2.5
145.02647	4.8
145.03416	6.0
145.10110	1.8
146.03506	1.9
146.05841	1.9
146.99574	4.0
147.01314	2.3
147.03276	10.0
147.04344	2.0
149.01146	4.4
149.02846	3.8
149.97159	2.1
150.00667	4.6
150.99123	9.5
157.01733	1.4
157.03392	1.6
157.06401	2.1
157.07623	1.3
157.09871	3.8
158.99655	2.3
159.03265	2.9
159.05075	1.4
160.99948	1.5
161.01131	28.0
161.02847	5.7
162.05432	2.0
162.99011	2.1
163.03864	48.6
163.06175	3.9
164.04201	13.8
165.02338	2.1
165.04353	6.8
168.01852	2.1
169.00116	4.9
169.01463	1.6
171.01317	3.1
171.03151	1.8
171.11264	22.4
172.09619	89.8
172.10820	14.8
173.02853	3.6
173.09177	3.8
174.00687	1.8
174.99182	6.8
175.02548	1.6
175.04222	2.0
175.06195	3.6
175.80823	1.3
177.00771	2.2
177.02354	5.1
179.02161	5.5
180.99991	1.7
182.09145	4.5
185.01103	8.6
185.02853	6.7
185.06477	2.0
185.09621	1.3
185.13197	2.7
187.02762	1.7
187.04401	2.4
188.04489	1.7
189.00694	3.1
189.02319	13.5
189.04124	5.1
189.12314	2.8
191.03825	1.4
192.08804	3.4
193.00217	11.7
197.09148	4.1
199.11790	1.4
201.02397	2.9
203.02126	7.5
203.03915	10.8
203.07141	1.2
207.01659	2.5
207.03365	4.0
208.04413	4.5
213.00563	2.4
213.12579	2.1
214.09966	1.5
214.11845	29.3
215.03967	2.2
215.07967	3.1
216.04076	3.5
217.03641	3.7
219.03378	4.6
231.01338	5.9
231.03387	4.2
231.06705	4.4
231.14343	98.5
232.14584	2.5
233.05040	10.5
234.05173	12.4
235.04739	10.2
248.99091	2.7
249.02711	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	232.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49435	0.7
55.01860	0.8
56.96568	3.6
67.05512	0.6
69.03425	1.0
70.06601	1.3
71.56943	1.3
76.93089	0.7
77.35773	0.7
80.05036	1.3
82.06586	1.3
85.02860	0.8
86.09634	0.6
89.86908	0.7
90.90694	0.6
94.02931	1.0
94.06535	1.0
95.04976	0.9
97.02880	0.9
98.97588	1.5
100.05098	1.2
106.06532	0.9
108.56966	0.7
112.07583	1.1
115.05457	1.9
116.98595	1.1
117.05717	1.1
118.06540	2.5
119.07329	2.7
130.06516	1.9
131.05013	0.8
132.04419	1.0
132.08081	2.8
133.07619	0.8
134.06032	1.3
138.37752	0.8
142.06499	2.8
144.08055	1.8
145.07610	1.5
146.05975	4.6
147.06763	7.2
148.07574	1.0
149.04691	2.5
149.07048	0.8
150.05533	1.4
157.05180	1.6
158.06013	2.3
159.09175	2.7
160.02577	1.4
160.03923	2.2
160.07556	7.9
161.04707	1.3
161.07101	1.4
162.05496	23.6
163.06273	61.0
164.09427	1.3
168.06685	0.9
169.07591	5.5
170.05983	5.4
171.05534	2.0
171.09207	0.9
172.06241	0.9
172.07556	1.0
173.07091	4.5
174.05496	2.1
174.07863	8.3
175.06273	95.8
175.08429	3.8
176.06810	2.8
178.03641	2.8
180.81886	0.7
185.07086	3.9
186.05542	1.0
186.07686	1.3
186.10275	2.9
187.04964	3.1
187.08658	12.4
188.07059	36.1
189.06598	3.1
190.03661	2.6
191.08104	1.4
192.08917	100.0
193.09282	1.1
197.07086	7.5
198.05515	1.6
203.08173	10.6
204.11288	0.8
205.09557	0.9
208.04735	3.5
214.07335	1.0
214.09732	6.2
215.08136	86.1
216.08432	1.6
232.08267	1.7
232.10768	48.1
233.09114	0.9
250.03319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.4
55.05487	5.1
56.05018	7.0
56.96553	9.7
57.03414	3.0
58.06595	62.9
59.04988	3.8
60.04518	3.3
61.02914	2.3
65.03922	7.1
67.05495	16.8
68.05022	1.9
69.03410	6.1
69.07011	2.0
70.06586	3.1
70.16540	4.5
70.16947	4.1
72.08131	3.0
74.05695	2.2
74.06071	24.5
76.07632	67.9
79.05484	12.2
81.07064	7.7
82.06566	4.1
83.04971	19.9
84.04497	5.2
84.08120	6.9
84.95982	2.0
85.02890	4.0
86.06052	3.7
91.05452	5.8
93.03393	6.1
93.07021	9.3
94.06560	7.2
95.01353	1.8
95.04960	17.1
95.08596	6.0
96.04447	2.1
96.08141	2.3
97.06503	3.9
98.21497	1.6
98.97553	2.7
103.05422	2.3
105.07004	12.3
106.06490	1.8
107.04932	8.9
107.08575	4.3
108.08125	5.1
109.02831	2.3
109.06477	8.1
109.78687	1.6
110.06036	6.6
111.04423	15.7
112.07612	2.1
114.05471	2.0
115.05402	2.1
117.06953	2.7
119.03474	1.6
120.04424	1.8
120.08060	3.2
121.02821	6.6
121.06496	5.2
122.05984	1.7
122.09615	3.6
123.04408	2.5
123.08045	4.6
124.07593	4.2
125.02354	1.8
125.05993	2.5
126.05538	2.4
128.07101	1.7
128.98610	1.7
132.08064	7.2
133.06476	8.8
134.06007	1.8
134.09650	2.5
135.04373	3.7
135.08034	4.2
136.07518	2.0
137.05901	2.2
138.05423	2.7
139.03883	15.3
139.07487	1.8
142.08580	2.4
148.07553	4.5
149.55981	1.9
150.09140	10.6
151.07535	6.2
152.07043	4.1
152.10635	2.0
160.07597	3.2
161.05977	4.5
167.07013	2.0
168.06483	2.6
168.10245	3.8
169.08562	2.1
170.08141	2.9
172.09607	3.4
178.08592	9.8
179.07018	7.3
179.08626	1.5
180.08020	1.6
186.07555	2.2
186.11235	6.7
196.09698	12.8
197.08104	5.5
214.07156	2.5
214.10706	29.8
215.09131	2.2
232.08069	6.8
232.11775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35326	0.6
55.01861	1.2
55.05502	3.0
56.05030	5.9
56.96552	4.0
57.03423	1.7
57.05825	0.8
58.06594	85.2
59.04981	1.6
61.02928	0.7
65.03928	2.9
67.05499	7.7
67.65661	0.6
68.05025	1.0
69.03436	3.7
69.03751	0.6
69.07050	1.0
70.06580	1.9
72.08150	1.7
73.02914	1.5
74.06073	10.5
76.07633	23.2
79.05480	7.6
81.03408	1.2
81.07041	5.2
82.06582	1.9
83.04969	11.6
84.04477	1.7
84.08122	3.1
84.96000	0.8
85.02901	2.2
86.06055	4.4
91.05451	3.9
93.03399	4.2
93.07030	7.0
94.06549	4.0
94.21013	0.7
95.04410	1.0
95.04971	8.2
95.08600	4.6
96.04490	1.1
96.08134	1.5
97.02854	1.1
97.06522	2.6
98.20760	1.6
98.97570	1.5
99.04477	0.9
100.99123	0.7
101.00879	2.4
102.05516	0.9
103.05437	1.1
105.07017	6.2
106.06548	0.7
107.04916	5.0
107.07279	0.6
107.08596	1.1
108.08092	5.2
109.02909	0.7
109.06510	3.1
110.06036	3.6
110.97545	0.7
111.04449	7.0
111.08060	1.7
112.07608	0.9
113.06011	1.0
115.05420	0.9
116.98615	0.6
117.05778	0.9
117.19242	0.7
118.06587	0.8
119.01891	3.9
119.04935	0.8
120.01994	0.8
120.08105	4.2
121.02865	3.2
121.06520	3.9
121.43719	0.6
122.06036	1.9
122.09632	2.0
123.04404	1.1
123.08087	3.2
124.07574	4.0
125.05979	1.8
128.07068	1.1
128.98596	0.6
130.06572	0.7
131.01863	0.9
132.08086	4.1
133.03532	0.9
133.05186	0.6
133.06465	4.7
134.06018	0.8
134.09607	1.4
135.04390	0.6
135.08025	1.2
136.07544	1.7
137.05963	1.1
138.05498	1.1
138.09119	2.2
139.03874	5.9
139.07538	1.4
140.07048	1.0
141.05444	0.9
142.08583	0.6
143.01851	3.4
143.07059	1.1
146.99654	1.1
148.07555	5.6
149.05969	1.7
150.09134	10.1
151.07527	5.2
152.07010	1.8
153.05478	1.0
155.07111	0.8
156.06525	0.7
157.08664	0.9
160.07552	2.2
161.02927	6.7
161.05949	1.7
162.03194	0.7
162.99283	0.6
165.00688	0.8
166.08624	2.7
167.07034	2.0
168.10205	4.5
169.08635	1.0
170.08136	1.3
172.09720	1.9
174.79095	0.6
175.06297	1.0
178.08604	6.5
179.07042	3.9
184.09691	2.6
185.08102	1.3
186.09703	0.8
186.11267	6.2
190.02515	0.8
191.03914	1.8
192.08925	1.1
196.09674	11.2
197.08109	2.6
198.98512	0.7
200.04430	1.7
202.10742	0.9
203.09125	0.7
209.04860	3.6
214.10715	28.3
215.09041	0.9
215.11005	0.8
229.17581	0.7
232.11775	100.0
233.06326	1.0
233.12061	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	233.1169
Annotation	Drupanin
Peak:m/z	Relative Intensity
55.01869	0.6
55.05512	0.7
58.70601	0.6
67.05489	1.7
69.03413	3.7
70.06845	0.5
71.52861	1.0
79.05488	3.7
81.07050	1.9
83.04980	0.9
91.05474	4.3
93.07024	2.0
94.53477	0.5
95.04964	1.6
95.08574	0.7
97.06516	2.8
103.05478	0.7
105.07011	5.0
107.08582	1.7
109.06487	1.4
109.10140	0.9
111.04425	1.0
115.05460	1.8
116.88349	0.6
117.07075	2.6
119.08575	7.5
121.06509	2.0
121.10113	0.8
123.08064	1.7
128.06158	1.0
129.06998	3.4
130.07797	1.1
131.08568	4.6
132.66972	0.6
133.10109	0.9
135.08041	100.0
136.08385	1.6
137.05930	1.7
139.07495	0.7
141.06999	3.2
143.08545	1.7
144.09338	3.8
145.06502	2.0
145.10117	4.3
147.08051	2.0
147.11714	0.9
151.07547	2.2
153.06932	1.0
154.07788	2.2
155.08546	1.6
156.09346	7.9
157.06480	2.2
157.10060	1.1
158.07288	3.5
159.08054	5.3
159.11674	16.5
160.12189	0.6
161.09607	1.8
169.10106	4.3
170.10820	1.2
171.08011	1.0
171.11667	2.2
172.08818	14.4
173.09619	21.6
174.10382	1.2
175.07552	1.6
177.09050	0.8
187.11165	34.6
187.14754	1.3
188.11536	0.9
189.12767	2.5
191.10709	1.0
194.17912	0.6
197.09607	0.9
200.08318	1.3
205.12222	1.0
215.10658	18.6
215.14156	0.9
233.08060	0.9
233.11714	11.5
233.15193	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	233.117
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
52.99553	0.5
53.03949	1.2
55.01865	1.2
55.05500	1.3
56.96550	0.7
65.03905	0.6
67.05499	1.7
69.03426	3.8
69.07080	0.6
70.42511	1.2
71.04977	0.7
76.02203	0.7
77.03941	0.6
79.05484	3.5
81.07053	1.7
83.04965	1.4
86.09736	0.8
91.05463	6.6
93.07051	3.7
95.04956	2.4
95.08607	1.5
97.06513	3.3
98.97562	1.1
103.05451	0.6
105.07032	6.7
107.04933	4.8
107.08599	2.8
109.02822	0.8
109.06517	2.5
111.04413	1.2
114.94654	0.5
115.05453	2.3
116.06173	0.5
116.98620	0.9
117.07006	4.7
119.04958	1.2
119.08566	10.6
120.08076	1.0
121.06520	3.3
121.10141	1.2
123.04404	1.1
123.08056	2.8
128.06195	1.8
129.06981	4.8
130.07799	1.2
131.04907	1.2
131.08536	6.1
133.06477	0.8
133.10132	1.8
134.99687	0.6
135.08041	100.0
136.06160	1.2
136.08394	1.7
137.05960	1.9
139.07513	1.0
141.06963	3.2
142.07745	1.1
143.08582	2.5
144.05716	0.9
144.08180	1.0
144.09325	3.8
145.06453	3.1
145.10114	6.6
147.04453	0.6
147.08032	2.6
147.11707	1.5
149.05939	0.9
149.09627	0.8
151.07526	3.0
153.07002	1.0
154.07840	2.7
154.08879	0.5
155.08519	2.7
156.09331	7.2
157.06493	2.9
157.10114	1.9
158.07249	4.9
159.04414	1.3
159.08058	7.1
159.10397	1.1
159.11679	16.8
160.05200	1.7
161.09604	2.8
163.07513	0.9
167.08629	0.7
169.06671	0.7
169.10094	4.2
170.10887	1.8
171.08089	1.2
171.11699	2.2
172.05267	0.9
172.08821	17.8
173.06052	1.0
173.09608	20.3
173.13234	1.7
174.10413	0.9
175.07532	3.1
175.11188	1.1
177.09106	1.1
182.07169	0.9
187.03789	0.7
187.07539	2.2
187.11168	32.8
187.14685	2.6
188.11462	0.9
189.12680	2.9
191.10699	1.5
191.14253	0.8
197.09622	1.9
200.08411	1.1
203.06960	4.1
205.08704	1.0
205.12233	1.2
215.10654	20.5
215.13953	2.9
216.10971	0.7
233.04337	1.3
233.08026	3.2
233.11681	14.2
233.15263	7.6
233.17415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05499	7.2
57.02308	2.5
57.07081	4.4
67.05495	17.0
69.07066	5.2
71.04946	3.0
71.53343	3.8
79.05478	16.1
81.07049	34.1
83.04988	4.8
91.05472	23.3
93.07034	30.8
95.04981	7.0
95.08594	41.3
105.07017	37.9
105.99187	2.4
107.04887	3.3
107.08587	25.2
109.06505	4.9
109.10146	8.5
111.04446	5.1
111.08060	5.7
117.06992	14.8
119.08567	47.3
121.06492	6.6
121.10141	14.3
123.11697	3.7
125.05978	3.0
129.06999	4.8
130.07762	2.8
131.08554	36.7
133.10139	21.5
134.10976	12.4
135.08075	4.0
135.11661	23.1
139.07518	6.4
143.08543	5.2
144.09351	7.0
145.06483	3.7
145.10120	43.7
147.08058	3.5
147.11696	6.6
149.02318	6.0
149.09567	3.2
151.07478	3.1
155.08615	6.0
157.10143	4.8
158.10902	2.9
159.08049	4.7
159.11682	58.9
161.13258	10.6
163.07541	3.5
173.09624	11.9
173.13269	3.4
175.11154	4.1
177.05389	3.0
177.09105	10.1
178.06215	3.6
182.11018	2.5
186.10399	4.7
187.11211	10.6
187.14803	100.0
189.06981	3.9
190.07758	8.4
191.07014	3.5
191.08588	3.6
191.10648	5.6
197.13274	8.1
200.11974	3.5
203.08505	11.3
204.09221	3.1
205.10054	5.6
205.15883	6.5
215.10529	3.3
215.14317	26.4
217.15820	3.4
218.07295	5.9
218.10857	14.1
225.32147	2.7
233.09821	23.4
233.13231	29.1
233.15382	78.8
233.18776	18.8
233.22662	2.7
234.15793	2.6
238.70779	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.99488	0.7
53.03938	3.0
55.01865	0.8
55.05505	3.5
57.07059	2.3
59.04970	0.7
63.67990	0.7
67.05496	3.1
69.03423	5.1
69.07040	1.8
70.51477	0.7
71.04992	1.0
77.03915	1.0
79.05482	49.8
81.07034	4.5
83.04958	1.9
83.08609	4.9
85.06524	3.6
91.05474	6.3
93.07026	6.6
95.04943	4.6
95.08591	3.6
96.94967	0.8
97.06499	1.6
105.04502	0.8
105.07027	9.7
107.04937	50.2
107.08583	10.8
109.06493	1.4
109.10136	1.2
111.08080	4.5
113.06017	1.1
115.05426	0.8
117.06990	2.5
119.04858	0.7
119.08560	14.3
121.06474	2.6
121.10124	7.6
123.08041	2.4
123.11703	1.5
125.09605	2.5
129.06938	2.1
129.07912	0.6
130.07788	1.1
131.08549	10.6
133.06424	0.7
133.10112	8.7
135.08006	3.2
135.11687	0.8
137.09589	5.6
142.07732	2.6
143.08521	2.6
145.06479	1.3
145.10089	13.4
147.08018	11.9
147.11659	12.0
149.08521	0.9
149.09598	9.0
149.13240	3.9
153.09070	1.1
156.09328	1.8
157.10130	5.0
158.10855	2.3
159.08070	1.5
159.11678	1.8
160.08829	1.9
161.09619	0.8
163.11157	4.4
171.11674	1.6
172.12433	1.1
173.09589	2.4
173.13232	9.3
175.11153	18.1
177.09029	0.9
182.10883	0.9
187.14795	4.0
189.12758	3.9
191.14276	62.2
192.14525	1.1
197.13213	2.6
215.14268	5.7
222.66606	0.6
229.29604	0.8
233.04480	1.0
233.08112	2.0
233.15326	100.0
233.19078	2.4
234.15704	2.0
240.06398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05498	1.8
59.03476	1.3
67.05491	3.3
69.07056	2.8
70.45253	1.1
71.56828	1.9
71.57537	1.4
79.05481	3.7
81.07038	6.2
81.07472	1.5
91.05476	6.7
93.07025	4.2
95.08580	5.7
105.07019	15.5
107.08536	3.7
117.06995	8.6
119.08565	13.9
121.06428	2.3
121.10108	2.1
129.06979	3.5
130.07732	2.0
131.08566	16.0
133.10141	8.9
143.08601	1.5
144.09325	6.4
145.10114	27.4
147.11646	3.4
149.09566	1.4
157.10039	2.4
159.11674	100.0
160.12358	3.9
163.07454	3.9
165.08963	1.3
172.12396	2.5
173.13191	3.3
177.09155	2.8
178.06215	1.7
187.14801	33.1
189.16370	4.7
209.42017	1.6
215.14261	4.3
233.04645	1.4
233.15324	38.6
233.19020	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	235.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20522	2.5
57.03418	4.5
57.06788	3.3
57.07064	36.0
64.40050	2.2
69.03415	14.0
69.07063	21.3
71.04327	5.2
79.05452	5.3
81.07044	6.0
83.04959	11.2
91.05444	5.6
93.07034	3.8
95.04945	4.6
95.08603	2.9
97.06531	24.7
105.07012	7.1
107.08579	13.0
109.06495	2.9
109.10138	4.8
119.08562	4.6
125.05076	2.8
125.05977	48.3
135.08022	8.2
143.07021	100.0
153.09058	6.9
163.07487	4.3
175.07433	2.8
175.14795	2.6
179.10641	26.4
181.08507	3.0
199.09628	5.2
204.86743	2.3
217.12282	2.6
219.75539	2.5
235.16888	93.9
236.22964	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1172
Annotation	ascr#11
Peak:m/z	Relative Intensity
53.25039	2.7
53.89556	3.3
54.48513	2.9
57.05181	2.9
57.07060	18.1
61.16637	3.1
69.03410	10.8
69.07059	20.4
70.59477	7.4
70.59875	6.3
81.07053	3.5
83.04978	14.5
95.04904	4.0
97.06511	26.9
107.08571	8.4
109.10131	3.3
118.12629	3.1
119.08528	3.1
125.05972	48.1
135.08014	6.3
143.07021	100.0
153.09064	5.5
163.07594	2.9
163.70827	2.9
179.10674	10.0
181.08527	3.7
199.09584	4.6
235.16913	46.2
235.20476	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03936	1.5
55.05498	4.0
57.06817	2.7
57.07069	40.2
59.05001	9.6
60.39230	1.6
67.05495	10.2
69.03394	1.8
69.07044	6.4
69.57914	11.6
71.04971	2.5
79.05472	5.1
81.07037	17.3
83.08585	2.2
85.06538	3.0
87.69092	1.5
91.05473	8.5
93.07036	13.3
95.04944	3.2
95.08602	9.4
97.06507	2.8
98.20752	3.5
99.04388	1.8
102.96146	1.6
105.07017	25.5
107.04904	1.7
107.08582	14.3
109.06495	5.1
109.10143	7.6
117.06982	4.6
119.08568	33.3
121.06477	6.5
121.10126	10.5
123.04404	4.0
123.08076	8.5
129.07001	3.0
131.00089	2.1
131.08540	12.7
133.10104	18.1
135.08012	6.3
135.11658	6.3
137.09608	3.6
142.07755	4.1
143.08533	4.7
145.10068	4.5
147.08061	3.1
147.11642	9.0
149.09645	3.3
149.13242	3.8
151.11148	2.8
156.09308	3.9
157.10123	13.8
159.11681	22.4
161.09604	6.1
161.13205	4.8
163.11214	2.5
169.10083	1.7
170.10980	2.0
171.11681	5.3
173.13208	9.0
175.07629	1.8
175.11214	9.6
175.14833	27.8
177.12720	18.2
179.07193	2.2
179.10658	25.7
189.16417	9.9
190.32140	1.6
193.15826	2.0
199.14798	5.2
217.15843	20.5
235.06128	2.3
235.09659	2.5
235.16895	100.0
235.20609	4.2
236.17230	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	(3R,4R,6S)-3,4-Epoxybisabola-7(14),10-dien-2-one
Peak:m/z	Relative Intensity
53.03933	1.7
55.05499	6.1
57.07066	34.8
67.05502	6.5
67.29604	0.7
69.03390	0.9
69.07053	17.3
71.08620	1.4
71.54092	0.9
76.78941	0.7
77.03911	0.9
78.11278	0.9
79.05052	1.0
79.05479	12.1
81.07041	8.8
83.04958	1.6
83.08598	2.6
85.06506	0.6
91.05461	10.5
93.07027	20.0
95.04951	2.1
95.08582	15.2
97.06540	1.1
97.10144	2.7
105.07010	16.0
107.04974	1.0
107.08588	8.8
107.11352	0.9
109.06532	1.4
109.10121	4.5
110.94386	0.9
111.04435	1.6
111.08049	2.3
111.11657	0.8
119.08562	9.7
121.06463	4.9
121.10141	3.5
123.04407	4.6
123.08034	1.4
123.11703	3.5
125.05985	5.0
125.09576	0.9
129.06995	0.9
133.06429	2.8
133.10112	12.4
135.08015	1.4
135.11650	2.9
137.05939	1.4
139.07510	38.9
143.08560	1.5
145.10069	1.0
147.08026	4.4
147.11642	4.0
149.13225	1.1
151.07520	18.0
153.09120	0.8
157.10149	1.3
159.11623	1.2
161.09549	3.8
161.13254	6.4
163.07486	0.9
165.09093	8.1
175.11189	1.1
175.14790	2.0
179.10660	24.8
189.16338	6.3
193.12273	1.6
199.14836	1.0
213.66406	0.7
217.15829	2.5
217.19521	1.3
235.05997	1.0
235.16890	100.0
236.17233	2.9
237.43683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03930	2.4
55.01872	2.8
55.05507	20.4
57.07062	12.5
67.05498	18.9
69.07060	26.9
71.57467	5.0
79.05477	9.4
81.07055	41.9
83.04951	6.3
83.08627	19.7
91.05453	7.1
92.82497	2.4
93.07044	33.8
95.04948	4.1
95.08598	66.1
97.06558	5.1
97.10151	13.2
100.47034	2.6
105.06984	4.9
107.08576	40.6
109.02915	2.4
109.06491	4.6
109.10146	53.4
111.04417	4.3
111.08031	5.5
113.09652	2.4
116.83733	2.2
119.08550	9.7
121.06467	2.8
121.10129	54.6
122.45537	2.8
123.08061	5.4
123.11720	12.0
125.05972	3.8
131.08574	4.8
133.10088	4.4
135.08101	2.7
135.11681	49.7
137.09561	5.4
137.13251	6.9
139.07533	3.3
141.09076	2.9
145.10097	8.0
149.13232	11.6
153.09105	2.4
159.11699	5.2
163.11174	7.9
167.10773	3.0
177.16357	6.8
181.12192	7.7
191.10742	3.3
191.17928	100.0
201.16364	13.7
209.11690	6.0
219.17427	38.8
219.20863	3.6
237.07504	3.1
237.12852	3.2
237.14738	5.5
237.16573	2.1
237.18491	39.4
237.22151	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	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01859	5.8
55.05492	11.1
57.03429	3.1
57.07069	18.2
59.04976	1.7
67.05497	21.4
69.03433	2.3
69.07061	12.8
71.01335	1.9
71.04979	7.2
71.29938	4.2
74.68077	2.0
75.04457	2.5
78.65009	1.8
79.05492	20.1
81.03391	3.2
81.07047	46.6
83.04976	15.2
83.08603	7.3
85.06496	3.0
87.48634	1.7
91.05459	17.1
93.07031	48.9
95.04949	3.9
95.08592	76.2
95.52103	1.7
97.06512	6.1
97.10164	3.6
99.04446	1.7
105.07015	54.6
107.04929	2.9
107.08583	54.6
109.02870	3.9
109.06496	8.4
109.10141	45.6
111.04424	22.3
111.08057	10.4
115.07523	2.5
117.07000	7.2
119.08561	42.4
121.10131	31.1
123.08083	10.6
123.11710	5.1
125.05965	4.8
125.09606	12.8
130.07716	2.2
131.08556	20.2
133.10114	16.9
135.04376	1.9
135.08070	3.1
135.11674	10.3
137.09637	10.9
139.07558	1.9
143.08562	2.2
145.10095	50.0
147.11676	12.0
149.02261	2.1
149.09589	4.0
149.13226	11.9
151.11101	2.9
153.05463	10.2
159.11693	36.4
161.13235	31.8
163.11176	7.2
163.14780	4.3
173.13261	16.0
175.14801	8.5
177.12741	2.5
177.16373	5.4
179.10728	2.2
181.04962	3.3
181.12260	5.3
189.16405	8.3
191.10648	10.7
191.14304	4.2
191.17984	10.6
193.05045	2.7
201.16353	91.9
209.11699	45.8
209.13593	3.2
219.17409	100.0
222.65479	2.2
237.07520	5.9
237.11122	3.6
237.14787	5.6
237.18484	59.0
237.22162	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	237.1845
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03927	2.3
55.01852	4.1
55.05503	14.7
57.06837	1.5
57.07068	14.0
57.37710	1.5
67.05209	1.7
67.05501	16.5
69.03400	4.1
69.07059	24.7
71.04986	3.1
71.54018	2.8
75.29986	1.6
77.13068	1.7
79.05470	13.8
81.07046	40.6
83.04955	7.2
83.08609	12.0
85.06525	2.6
91.05442	9.2
93.07028	41.3
95.04933	3.9
95.08595	61.1
97.06500	6.2
97.10143	7.6
98.88828	1.9
99.08080	2.9
102.64001	1.6
105.07001	13.5
107.08578	48.5
109.06476	3.9
109.10139	35.1
111.04419	4.6
111.08080	4.1
111.11746	2.0
112.12561	1.8
117.07016	1.8
119.08568	15.2
121.06477	3.0
121.10126	42.5
123.08063	3.1
123.11684	12.1
125.05978	2.5
125.09634	1.8
131.08522	5.9
133.10124	8.7
135.08049	2.5
135.11671	53.5
137.09552	2.3
137.13232	19.4
145.10100	9.1
147.11655	5.3
149.02339	2.1
149.09589	3.4
149.13239	23.3
153.05443	2.9
155.10640	4.9
159.11658	10.9
161.13232	15.0
163.11160	10.2
163.14804	7.9
167.08618	1.8
173.13174	3.5
175.14833	3.7
177.12746	3.6
177.16377	6.5
179.14273	2.2
181.04865	4.8
181.10620	2.1
181.12222	18.7
189.16362	8.0
191.10649	4.2
191.14256	2.0
191.17931	47.3
191.19588	3.7
192.06531	3.3
193.04944	2.1
195.10170	2.5
195.11726	6.8
195.13670	2.2
201.16354	10.6
209.11621	11.8
209.13324	1.7
219.17435	34.3
219.20949	4.0
220.23965	1.8
237.03897	3.8
237.07524	3.7
237.10847	2.4
237.12721	5.5
237.14676	4.2
237.16585	4.8
237.18469	100.0
237.21924	10.1
238.18674	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	237.1846
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03927	1.8
55.01858	2.9
55.05495	15.1
57.03424	3.0
57.07055	2.0
59.04983	2.0
67.05497	13.3
69.03414	6.7
69.07050	6.7
70.56051	1.4
70.88548	4.6
71.04982	17.7
75.53902	1.4
75.54333	1.4
78.32497	1.3
79.05487	13.5
81.07046	26.3
83.04970	16.1
83.08611	2.9
85.06517	3.7
91.05460	17.6
93.07027	17.3
95.04942	7.4
95.08600	11.8
97.06512	5.4
97.10150	2.4
98.97498	1.8
99.08084	6.4
103.05456	7.7
105.07016	27.6
107.04922	6.2
107.08578	20.8
109.06498	9.8
109.10137	16.3
111.08074	4.2
115.05436	3.9
117.07003	5.8
119.04953	3.1
119.08560	6.9
120.05739	4.0
121.06477	5.6
121.10114	12.2
123.08053	4.0
123.11658	6.0
125.09621	5.9
127.11182	18.0
128.06201	5.2
129.06958	5.7
131.04913	5.1
131.08557	12.7
132.05724	1.9
133.10109	23.7
135.08035	14.3
135.11642	6.9
137.09612	2.2
139.11163	8.2
139.69179	1.3
141.06958	1.7
143.10686	3.9
144.05737	2.6
145.06453	5.2
145.10088	9.6
146.07222	6.0
147.04372	1.5
147.08002	3.6
147.11665	5.5
148.05190	3.2
149.02309	15.1
149.03368	2.4
149.09648	4.1
149.13272	5.2
151.11165	37.8
153.12715	1.6
155.10655	6.6
158.07265	13.6
159.08041	2.9
159.11699	9.5
161.05957	16.3
161.09610	19.0
163.04057	1.4
163.07465	7.6
163.11206	5.0
173.05910	2.6
173.09599	12.8
173.13255	1.8
174.06726	14.2
175.07544	11.5
177.05495	2.3
177.12669	3.6
186.06744	1.3
189.09058	19.7
191.07001	100.0
191.10670	5.6
191.17915	2.5
191.23672	1.4
192.07414	3.4
193.04935	9.5
194.07149	1.9
201.09119	2.3
201.16364	4.6
206.24770	1.5
219.10118	33.4
219.13708	3.3
219.17393	9.3
220.10342	1.9
234.84885	1.4
235.03531	1.7
237.03862	1.6
237.07402	11.3
237.11198	6.2
237.15045	5.9
237.16098	1.8
237.18428	11.5
237.22139	3.8
254.18268	1.7
259.44513	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	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.97450	3.6
51.28609	3.1
53.03941	7.9
53.63278	3.1
55.01860	9.0
55.05504	41.4
57.03431	9.8
57.07059	14.1
57.97453	3.5
59.04995	3.7
65.72823	2.9
67.05507	34.8
69.03416	28.6
69.07062	24.9
71.04988	57.8
71.52923	5.7
74.52525	3.1
77.18066	3.5
79.05475	37.2
80.33354	3.3
81.03432	8.8
81.07051	73.8
83.04976	40.5
83.08599	10.7
85.02895	8.5
85.06536	10.8
91.05466	38.4
92.18253	3.5
93.07037	56.5
95.04959	19.4
95.08585	39.7
97.06506	19.8
97.10158	4.8
98.97581	3.8
99.04414	5.4
99.08088	15.6
103.05453	12.7
105.07017	71.7
107.04942	8.8
107.08581	59.8
107.09286	5.2
109.06510	40.5
109.10150	44.0
111.00798	6.5
111.04435	6.5
111.08102	11.0
113.09618	4.2
115.05440	5.8
116.06211	4.0
116.98577	5.1
117.06993	14.1
119.04928	4.2
119.08569	27.4
121.06479	12.2
121.10143	40.1
123.08057	13.7
123.11700	23.6
125.05931	4.7
125.09628	19.0
127.07510	6.8
127.11189	46.4
128.06209	4.8
129.06953	6.5
131.04919	9.4
131.08551	24.2
133.06432	3.6
133.10103	65.9
135.04425	4.5
135.08057	25.4
135.11646	18.0
137.05934	6.1
137.09610	8.6
139.11150	16.6
143.08572	4.9
143.10675	14.5
145.06470	10.4
145.10086	30.5
147.08110	4.5
147.11699	16.7
148.05211	5.2
149.02272	7.1
149.06067	4.5
149.09616	8.3
149.13179	8.8
151.11169	100.0
153.12730	7.4
155.10643	13.7
157.06487	5.3
157.35909	4.1
158.07278	11.9
159.08014	6.3
159.11647	25.0
161.05984	14.8
161.09607	14.5
161.13248	10.0
163.03799	5.5
163.07513	14.8
163.11206	11.4
173.05913	5.2
173.09625	9.3
173.13255	6.0
174.06737	9.4
175.07567	14.3
177.09137	7.1
177.12721	10.8
177.16350	3.8
183.03162	3.6
183.11557	4.5
187.07466	4.4
189.09096	15.4
191.07005	96.0
191.14362	4.2
191.17796	5.8
193.04861	5.0
201.16376	15.3
219.06551	14.3
219.10097	30.7
219.13802	11.4
219.17377	26.1
220.06192	3.7
237.07533	14.9
237.11205	8.4
237.14789	17.5
237.18535	29.9
237.22070	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	239.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01857	5.2
55.05498	3.7
56.96551	4.4
57.03427	6.0
57.07059	3.3
65.03928	2.8
67.05483	9.2
69.03408	2.6
69.07060	5.3
71.04980	5.5
71.53738	3.3
76.53727	1.5
78.04681	3.0
79.05477	15.5
81.03419	2.4
81.07050	9.0
83.04986	2.2
83.08627	1.9
85.02895	9.6
85.06526	2.9
86.03222	4.6
89.03911	2.4
89.06004	3.8
91.05463	28.7
93.07028	8.3
94.04195	2.3
95.04942	12.8
95.08592	7.0
97.02878	2.1
97.06509	3.0
97.10163	1.9
99.04475	2.0
103.05454	23.0
104.06244	3.8
105.07021	43.0
106.04172	4.3
107.04937	74.3
107.08566	5.2
108.08093	3.0
109.06500	6.3
109.08465	5.4
109.10168	5.2
115.05441	14.8
116.06244	2.6
117.03403	1.9
117.06997	21.5
119.04925	9.0
119.08562	6.3
120.05738	3.3
121.06480	21.3
121.10201	2.4
122.03627	3.6
122.07267	1.8
123.04426	11.5
123.08046	2.7
124.05198	4.6
128.06223	6.2
129.06976	2.7
131.04880	10.8
131.08568	2.9
132.05728	9.8
133.06476	33.8
133.10143	3.3
135.04385	30.8
135.08034	18.6
136.05182	13.7
137.05957	90.4
137.09610	4.4
138.06741	17.5
142.07716	2.2
143.08572	4.0
145.06477	11.0
145.10019	2.1
146.07266	8.1
147.04382	4.6
147.08017	16.5
148.08792	7.2
149.06001	11.7
149.09633	4.7
150.06770	5.1
151.07513	6.4
153.09114	1.7
158.07297	2.0
159.04466	2.3
159.08034	3.2
160.05180	4.7
160.08800	4.1
161.05917	7.8
161.09593	10.3
162.06717	6.8
163.03914	10.3
163.07520	100.0
163.11290	2.4
164.04190	7.7
164.08307	8.5
165.05473	10.6
165.06972	5.6
165.07613	2.0
165.09081	37.6
171.08023	2.5
171.70132	1.8
172.08879	2.6
174.06729	1.9
175.07529	86.0
175.11118	17.7
177.09071	5.0
179.06976	9.5
179.10701	3.4
180.07796	20.2
181.04944	1.6
181.08575	13.1
182.09361	29.0
183.06387	2.4
188.04648	3.5
188.08385	3.1
189.09137	2.4
191.07063	2.5
191.10736	4.1
193.06769	2.3
193.08620	21.3
193.10342	3.0
195.06465	3.4
197.05914	2.1
203.10643	30.1
209.11665	13.5
211.05951	4.1
211.07733	2.3
221.11665	10.8
224.10425	13.7
231.01833	3.3
234.05283	3.7
239.06981	7.4
239.09059	14.6
239.12540	8.0
239.16415	2.7
240.06705	2.3
243.62653	1.6
249.02890	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.24192	2.9
53.03926	4.2
55.05504	42.9
56.96519	3.2
57.03423	6.2
57.07071	29.6
59.04991	32.2
67.05502	33.5
69.03407	5.1
69.07063	56.7
69.53783	15.5
69.54209	9.2
71.04977	10.9
71.08617	6.9
79.05489	17.3
81.07047	99.9
83.04955	3.9
83.08610	23.6
85.06532	12.1
91.05453	11.9
91.57140	2.9
93.07051	32.2
95.04948	3.5
95.08025	6.1
95.08600	96.9
96.28306	3.7
97.06501	11.1
97.10169	28.9
99.08076	4.6
105.07019	17.7
107.08594	42.4
109.06541	5.7
109.10140	61.0
111.08060	12.1
111.11728	15.5
115.07576	5.4
116.57211	2.9
117.63308	3.2
119.08568	26.8
121.10132	41.8
123.08018	5.3
123.11694	44.6
125.05988	3.2
125.09620	13.1
133.10107	27.4
135.11702	31.6
137.13235	100.0
139.11150	23.7
143.10645	11.5
147.11662	33.5
149.13228	18.1
151.11159	9.5
151.14809	3.0
161.13216	12.7
163.14804	35.3
165.12755	6.8
175.14806	6.1
177.16397	10.9
193.19542	9.3
203.17940	56.5
221.18997	68.5
239.07021	6.0
239.08995	4.9
239.18060	5.1
239.20036	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05297	2.8
55.05507	32.7
57.03424	6.1
57.07067	26.2
59.04990	21.4
67.05493	27.1
67.08223	2.7
69.07061	54.3
70.74996	6.2
70.75367	6.5
71.04978	17.6
71.08601	3.4
72.24354	3.1
73.06519	3.4
79.05476	16.3
81.07052	100.0
82.49663	3.1
83.08620	18.0
85.06516	11.9
91.05453	11.5
93.07037	41.8
95.08594	92.9
97.06505	9.5
97.10170	16.5
99.08067	10.6
105.07014	24.4
107.08578	54.6
109.06517	5.4
109.10140	46.6
111.08032	11.3
111.11687	27.5
113.09653	6.1
115.07522	4.9
119.08574	34.5
121.10137	31.8
123.08022	5.5
123.11707	32.1
123.23058	3.0
125.09602	12.6
127.11147	4.4
133.10110	23.9
135.11673	49.8
137.12279	5.4
137.13235	62.7
139.11169	13.4
143.10637	5.4
147.11667	28.8
149.13234	26.6
151.11168	5.4
153.12706	6.1
161.13251	15.2
163.14796	25.3
165.12674	6.6
169.10159	3.3
175.14781	5.7
177.16351	11.1
193.19568	3.0
200.73462	3.1
203.17934	67.3
221.15509	3.7
221.18977	68.9
232.15849	3.2
239.08990	5.0
239.17795	5.3
239.20032	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.55020	2.6
55.05503	29.8
57.07069	19.3
59.04998	14.3
67.05494	32.4
69.07061	81.7
69.51344	6.3
69.51754	15.8
71.04989	20.3
79.05492	21.2
81.06577	5.6
81.07050	100.0
83.04970	4.8
83.08615	22.9
85.02878	4.7
85.06514	13.3
91.05466	12.9
93.07037	64.1
95.04930	6.1
95.08594	88.2
97.06520	12.1
97.10157	11.9
98.75879	2.9
99.08081	18.8
105.07027	29.4
107.08582	72.5
109.10143	43.8
111.08061	7.7
111.11708	60.5
113.09608	6.5
115.07595	2.7
119.08566	46.4
121.10135	25.7
123.08030	5.9
123.11715	36.4
125.09611	10.4
125.13258	10.7
127.11163	6.5
133.10143	21.8
135.11670	88.8
137.09586	7.9
137.13246	35.7
139.11150	10.0
140.38368	2.8
141.12727	3.3
143.10655	3.6
147.11673	32.0
149.13263	36.9
151.11172	5.8
153.12714	14.0
161.13210	14.6
163.14806	17.3
167.14299	6.7
169.10138	6.6
175.14827	8.7
177.16357	9.9
183.11722	6.6
193.12312	3.1
193.19519	6.3
197.13255	7.2
203.17938	76.1
209.13242	3.5
221.19005	68.9
239.08832	3.8
239.14291	4.8
239.17896	9.2
239.20013	49.0
246.97862	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	240.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03531	0.5
55.05498	0.9
57.02990	0.5
57.03430	0.6
57.07054	0.6
63.18237	0.4
65.03917	0.5
65.29705	0.5
69.07052	0.8
69.78242	1.5
69.78651	1.5
75.04472	0.6
79.05488	6.9
81.07051	5.5
83.04955	0.8
91.05486	3.8
93.07028	2.6
95.04949	0.9
95.75531	0.5
98.21477	0.6
105.07001	2.5
107.04910	0.7
107.08582	5.1
108.30400	0.6
109.06525	0.6
115.05438	1.0
117.05812	0.6
117.06984	1.5
118.06501	0.8
119.04955	0.9
119.06042	0.7
121.10181	0.6
122.06035	0.8
129.06995	2.1
131.04910	1.7
131.08492	0.6
132.04427	0.6
133.05258	3.5
134.05974	1.4
139.11136	0.7
143.07301	1.3
143.08464	0.7
144.05644	0.8
145.06496	2.1
146.05998	15.4
147.04387	2.9
147.06770	2.1
148.07567	0.8
154.06500	2.4
155.06094	0.7
155.07294	1.8
156.08057	4.8
159.06786	2.2
160.07584	5.9
161.08356	3.4
167.07269	1.4
167.08589	0.6
168.08044	1.5
170.05994	7.5
170.09636	3.2
171.06792	18.4
172.07559	12.4
173.08292	1.0
174.09114	1.2
180.08080	1.8
181.08875	1.1
182.09700	1.1
183.06787	27.1
184.07558	38.9
184.27283	0.5
185.08344	42.1
186.09038	2.2
192.51228	0.6
194.06987	0.8
194.09625	1.5
196.07558	31.8
196.11298	1.1
197.08342	38.3
198.09134	38.2
199.09869	2.0
208.11183	0.9
209.08331	0.7
210.09119	26.5
211.09894	22.1
212.10658	4.4
212.14267	0.7
223.09755	0.5
224.10674	5.4
225.11417	5.2
238.12308	1.7
240.13817	100.0
241.14102	2.4
263.27023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1218
Annotation	Dimethylstilbestrol
Peak:m/z	Relative Intensity
55.01841	0.7
55.05496	1.5
59.04979	1.3
67.05475	0.8
69.03451	0.5
69.07057	1.2
69.67705	3.6
79.05467	0.8
81.07030	0.9
83.04961	1.0
83.08577	1.2
91.05471	1.6
95.08535	0.6
97.06555	0.6
98.20715	0.7
98.48174	0.5
105.06986	1.8
111.04315	0.5
115.05421	0.8
117.07001	1.7
119.08547	0.8
120.42085	0.5
128.06213	1.7
129.06946	2.7
131.08580	4.3
132.48549	0.6
133.10112	1.4
141.06981	5.1
142.07773	2.0
143.08553	6.9
145.10059	0.8
147.11661	2.3
152.06155	1.0
153.06950	6.2
154.07701	1.8
155.08531	18.4
156.09323	5.9
157.10133	3.4
159.07990	0.8
159.11703	4.5
165.05560	1.0
165.06976	16.1
166.07776	4.0
167.08554	19.4
168.09308	5.1
169.10092	9.8
170.07445	0.6
171.08051	2.2
171.11700	2.0
172.99161	0.5
179.08592	3.0
180.09325	15.4
181.06494	1.2
181.10086	17.0
181.11609	1.1
182.10886	26.5
183.08025	3.1
183.11497	1.1
185.09598	1.3
185.13252	4.8
195.11670	35.0
196.12440	7.5
197.13235	63.6
198.10373	1.2
198.13646	0.8
199.07523	1.2
199.11159	1.9
199.14790	1.7
208.08768	1.2
213.09055	0.7
213.12689	8.2
213.16232	0.8
223.11203	4.4
226.09807	2.2
241.12207	100.0
241.15733	5.7
241.19394	4.5
242.12627	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	241.1432
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03935	3.0
55.01853	3.0
55.05512	10.7
57.03436	9.9
57.07068	3.4
59.04992	4.6
67.05497	40.2
69.03424	21.7
69.07053	5.8
70.68378	6.1
71.04970	3.0
73.21265	1.8
75.04459	5.5
79.05474	9.2
81.03395	4.4
81.07053	23.3
83.04548	2.3
83.04978	23.7
83.08611	4.2
85.02879	7.9
85.06528	2.4
87.04433	3.1
91.05480	11.8
93.03742	3.0
93.07031	16.3
95.04961	23.0
95.08587	9.3
97.02869	4.9
97.06503	5.4
99.04449	3.0
105.07030	11.6
107.04957	3.7
107.08572	13.9
109.02861	2.6
109.06517	13.5
109.10143	100.0
111.07352	3.2
111.08056	34.1
113.02299	3.2
113.05971	4.2
115.05373	2.0
117.07027	5.1
119.08563	8.8
121.06494	10.0
121.10109	17.2
122.07269	12.2
123.04442	12.9
123.08062	20.7
123.11691	2.7
125.05988	6.0
125.09618	13.8
127.07526	3.3
133.10149	10.0
135.08022	9.3
135.11668	6.1
137.06053	2.7
137.09604	93.4
138.10370	2.4
139.07509	9.3
139.11188	18.4
141.05423	8.9
145.10063	3.3
146.07341	2.4
147.08046	4.1
149.09546	3.0
151.03807	2.2
151.11183	6.7
153.09091	33.3
157.04948	2.1
157.08609	5.6
159.08051	3.8
159.11684	9.3
161.09631	6.5
163.11137	8.6
165.09084	9.1
167.07097	3.1
167.10623	4.3
173.05974	3.7
177.05481	17.2
177.12735	5.8
179.10629	23.6
187.11153	4.2
195.06488	4.9
197.11739	8.3
205.08592	4.7
205.12238	5.9
223.09631	6.9
223.13260	7.5
241.05135	1.9
241.14256	13.7
241.19501	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	241.1432
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03925	6.4
55.01858	3.7
55.05504	15.4
56.41138	2.9
57.03415	11.5
59.04974	8.8
67.05495	39.4
69.03434	19.2
69.07047	7.4
70.14491	15.5
71.04974	11.2
73.69723	3.1
75.04446	3.0
79.05472	13.3
81.07050	25.9
83.04527	4.3
83.04971	47.7
83.08613	5.7
85.02881	7.2
85.06507	4.7
87.04440	6.3
91.05460	15.0
93.07038	24.6
95.04956	47.0
95.08582	13.1
97.02865	4.8
97.06518	11.0
98.21417	4.9
98.97559	6.2
99.04441	8.1
105.07002	6.8
107.04910	7.8
107.08557	19.5
109.06507	21.2
109.10148	100.0
111.04456	5.8
111.08066	47.5
115.05463	4.3
117.07019	3.1
119.08543	12.6
121.06501	10.9
121.10133	19.4
122.07280	12.5
123.04396	18.5
123.08060	32.6
125.05965	11.6
125.09600	24.3
127.03974	3.2
129.06934	4.6
131.07018	5.7
133.10094	10.9
135.08038	14.2
135.11647	4.2
137.09596	80.9
138.10464	4.0
139.07507	12.7
139.11154	13.4
141.05464	6.9
145.06493	3.2
145.10089	5.3
149.05951	3.5
149.09604	8.0
149.13280	4.0
151.11157	10.2
153.09087	43.5
155.10707	5.1
157.04971	3.8
157.06517	5.7
159.11716	10.2
161.09589	10.3
163.11215	19.0
165.09102	12.4
167.07028	5.6
167.10632	8.8
177.12694	11.2
179.10664	53.4
181.04958	17.4
181.12300	5.2
185.05916	6.1
197.11707	11.1
199.03922	15.1
205.12251	15.8
213.05460	6.7
213.09052	9.8
223.13170	9.3
230.07982	8.1
241.04898	13.6
241.08580	16.4
241.14319	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.24314	0.2
51.44076	0.2
53.03946	0.2
54.97755	0.2
55.01849	0.3
55.05475	0.3
56.05025	0.3
56.96556	1.1
57.03425	0.2
57.74239	0.2
57.90505	0.2
58.06592	19.6
67.05490	0.3
69.03407	0.4
69.55985	1.6
70.06580	2.9
72.08137	0.4
79.69354	0.2
81.03384	0.7
83.04987	0.3
84.08131	11.3
85.06528	0.4
93.03709	0.3
96.04479	0.2
97.02861	0.2
98.06010	0.4
98.09673	1.8
98.20779	0.4
98.97569	0.6
100.11220	0.7
107.04945	0.4
114.05515	0.6
116.00144	0.2
116.07032	0.3
116.10705	0.3
116.98601	0.3
119.01872	0.3
126.05483	0.4
128.10687	4.1
134.06009	0.4
134.99628	0.3
135.04411	0.4
144.10144	1.2
146.99556	0.3
150.05458	0.3
152.07019	0.5
161.01205	0.2
163.03882	1.3
164.04190	0.3
164.06998	0.2
168.10179	0.9
177.00623	0.2
195.12177	0.2
196.09653	5.4
213.16032	0.3
219.01791	0.3
241.15433	100.0
242.15807	1.9
257.83054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01856	0.4
55.05516	0.3
56.96551	0.5
57.03425	0.6
58.06591	18.6
61.02907	0.3
66.19650	0.3
67.05461	0.4
69.03407	0.8
69.14053	0.3
70.06578	3.1
70.60883	0.3
70.61243	1.0
71.05003	0.4
72.08128	0.3
73.02892	0.5
75.48159	0.3
75.68155	0.3
79.05470	0.5
81.03389	0.9
83.04984	0.5
84.08132	9.8
85.02882	1.1
85.06525	1.3
97.02874	1.0
98.09679	1.5
98.20826	0.4
98.97576	0.7
100.11243	0.6
101.00849	0.4
114.05499	0.3
116.06981	0.5
116.98592	0.4
119.01890	1.3
121.01636	1.0
123.04372	0.4
126.09144	0.5
128.10707	3.8
131.01881	0.7
144.10182	1.4
145.03386	0.6
156.97438	0.7
157.03513	0.3
160.04732	0.5
161.02898	0.5
161.05547	0.6
168.10185	1.1
170.06079	0.5
174.98502	0.7
175.04469	0.4
177.00688	0.5
190.07434	0.4
196.09665	5.5
198.98528	2.1
199.02664	0.3
213.15970	0.6
216.99570	1.1
217.05629	0.3
217.99594	0.4
241.15434	100.0
242.15712	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01865	0.6
55.05499	0.7
56.96560	3.9
57.03428	2.1
58.06594	16.5
61.02921	2.0
67.05492	0.8
69.03411	1.6
70.06586	3.3
70.98100	0.9
71.01324	0.4
71.04979	0.7
72.08136	0.4
73.02904	1.4
79.05460	0.3
81.03392	1.2
83.01313	0.3
83.04963	0.7
84.08138	8.9
84.96006	0.6
85.02901	2.6
85.06536	3.0
88.99136	0.3
97.02899	1.8
98.06026	0.5
98.09698	1.6
98.97579	1.9
99.04443	0.7
100.11269	0.4
103.07564	0.3
107.45927	0.3
110.01301	0.3
112.03635	0.3
113.02365	0.3
115.00677	0.4
116.07069	0.5
116.98637	1.0
117.03665	0.3
118.00969	0.3
119.01855	1.2
126.05503	0.7
127.01483	0.5
127.03914	1.3
128.10709	3.8
128.98605	0.7
131.00119	0.4
131.01881	0.7
133.01671	0.7
133.03407	0.8
134.05995	0.9
136.06183	0.6
136.07564	0.4
136.93214	0.3
137.06648	0.4
141.01248	0.4
143.01881	0.3
144.03441	0.3
144.10159	1.3
145.01553	0.3
145.03427	0.3
145.04951	0.5
146.99637	0.9
147.05801	0.4
148.03917	1.9
149.01251	0.4
150.01791	0.4
150.05470	0.3
152.07007	1.8
153.05795	0.4
155.04652	0.4
157.02551	0.8
157.04419	1.0
158.08203	0.4
158.99640	0.8
161.01199	0.3
161.02914	0.4
163.02888	0.4
163.04335	0.8
164.07063	0.8
168.10188	0.8
170.05103	0.4
171.04970	0.4
173.02785	0.3
174.04372	1.0
174.99141	0.3
175.02614	0.3
176.03439	0.4
177.00742	0.3
177.06015	0.3
178.04932	0.7
187.04417	0.4
189.00682	0.3
190.07414	0.5
190.98662	0.4
193.00174	0.7
196.09695	5.3
203.04132	0.4
207.01741	0.5
213.15941	0.3
217.00159	0.5
219.01761	0.3
223.01125	0.5
223.06248	0.4
237.02824	0.5
241.15451	100.0
242.15790	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	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48264	3.1
54.74360	3.4
55.01855	9.4
55.05505	4.5
55.93528	3.1
56.08900	3.2
56.96558	32.9
57.03430	25.6
58.06593	10.7
59.94993	3.1
61.02932	17.1
65.03917	4.0
67.05499	15.8
69.03413	7.0
70.06585	4.2
70.87868	6.2
71.01352	11.6
71.04974	4.7
71.95260	3.7
72.93773	3.8
73.02902	18.8
79.05482	11.6
81.07059	4.8
83.04957	4.6
84.04493	4.2
84.08134	5.1
84.96044	5.6
85.02903	15.4
85.04019	3.8
86.08421	4.7
87.04452	11.3
89.02385	5.0
91.05441	3.5
95.00748	3.8
95.04941	8.1
97.02870	5.7
98.22821	3.5
98.97579	22.8
101.02373	23.1
107.04958	5.5
112.89628	3.4
113.02362	5.3
113.96389	4.1
115.03925	44.4
116.98602	9.6
119.01895	9.1
120.01973	7.2
121.01646	4.5
123.04472	4.7
128.98553	6.7
129.01846	30.5
133.04941	5.2
140.02267	4.3
143.03358	17.8
146.99644	12.3
148.02081	4.3
149.06026	4.5
153.02121	3.5
157.01353	40.6
160.37138	3.4
161.01295	4.6
161.04416	17.4
161.05637	6.0
167.17892	3.5
171.02872	6.8
173.01320	4.7
173.02887	3.9
175.02490	5.5
189.00656	3.8
189.03931	100.0
197.02994	3.5
200.18846	3.5
201.00632	4.8
218.04167	4.0
219.01721	9.4
237.02864	5.0
242.10216	12.9
242.15869	36.0
243.13573	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	243.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64930	0.1
56.96564	0.5
62.05213	0.1
69.88835	0.4
71.95256	0.1
82.99866	0.3
98.20785	0.1
98.97572	2.2
99.97926	0.1
101.00870	2.7
116.98615	1.8
119.01902	13.7
120.02021	0.3
122.97778	0.2
134.99728	1.7
137.02933	3.8
138.02992	0.1
140.98810	0.3
142.03476	0.5
148.52171	0.1
153.00903	0.6
158.01271	0.1
158.99831	1.4
160.04543	0.2
165.99620	0.2
175.02950	0.4
177.00925	26.5
178.01021	1.5
179.01357	0.2
182.81981	0.1
182.99753	0.7
189.00620	0.1
193.04092	0.4
195.01921	0.6
200.02509	0.5
201.00864	1.6
201.02550	0.3
202.00946	0.1
217.04039	3.0
217.06075	0.2
218.03590	0.4
219.01968	29.1
220.02065	3.5
220.04222	0.1
221.01808	0.6
225.00798	2.3
227.99640	0.1
234.00606	0.2
236.99883	0.1
238.03175	0.2
242.03580	0.9
243.01923	7.4
244.01941	0.2
260.04645	0.1
261.03012	100.0
262.03162	4.2
263.03439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0649
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01859	0.7
58.11825	0.3
63.50753	0.3
65.03939	2.4
68.99782	4.4
70.34356	0.3
71.41822	0.7
83.04995	0.4
83.27833	0.3
85.93240	0.4
91.05476	1.4
93.03440	0.4
103.05462	0.4
107.04945	7.5
111.04398	0.5
115.05433	1.3
117.06998	1.3
119.04894	0.5
119.08564	0.6
121.02852	19.4
123.08022	0.4
129.07030	0.4
131.04897	2.0
131.08553	1.5
141.06964	6.7
144.05708	0.9
145.06488	2.0
147.04372	3.7
147.08034	2.7
149.02321	100.0
150.02699	1.3
157.06476	0.5
159.08028	1.4
159.09254	0.4
167.03375	1.5
169.06453	9.0
173.05930	1.9
185.05956	1.0
187.07596	2.2
197.05937	11.5
198.06683	0.6
213.05391	0.8
215.06999	98.5
216.07428	2.2
225.09042	0.4
231.79822	0.4
243.06499	54.8
244.06837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.2
58.99863	2.9
63.25592	0.7
68.98280	1.9
69.03429	2.7
70.06580	3.7
70.27990	1.5
70.28384	1.6
70.99841	1.8
73.02914	0.8
77.00911	2.1
81.03408	2.3
82.99786	3.2
84.04496	3.1
84.08136	1.0
85.02892	1.3
86.99313	2.5
89.00879	1.9
97.02872	5.5
98.97565	1.9
101.00871	42.7
102.00916	1.0
103.02436	1.2
105.00371	3.1
109.02850	1.8
113.00847	5.6
113.05421	0.7
115.02431	3.8
116.07090	1.6
116.98616	1.4
119.01909	100.0
120.02021	2.5
124.02477	0.8
127.02383	3.4
129.03961	2.7
130.04990	1.1
131.01894	25.2
132.01962	0.6
133.03435	5.0
137.00801	1.4
137.02942	15.7
139.02402	2.0
142.03491	3.7
143.01886	19.9
145.03455	25.6
147.01396	3.6
147.04970	3.3
149.02936	3.6
149.29927	0.6
153.04007	1.0
155.00580	1.4
155.01871	27.7
156.01988	0.9
157.03456	20.5
159.04988	0.9
160.04572	0.8
161.02942	44.5
163.04507	4.4
167.01881	9.7
169.03445	3.9
171.05008	5.9
173.02948	42.0
174.03023	1.6
175.04507	7.9
177.02353	1.0
179.01833	6.2
181.03642	0.9
182.08060	0.8
184.04588	1.7
185.02943	69.4
186.03137	1.8
187.04510	6.5
188.97052	2.0
191.03998	2.4
196.04510	1.7
197.02940	29.0
197.04736	1.7
199.04587	1.5
203.03984	20.9
206.98216	0.7
208.04506	2.2
209.02962	0.7
215.03966	10.3
215.93056	0.7
220.04454	1.4
221.05019	7.8
222.05261	0.8
226.05669	0.8
227.03970	4.7
245.05043	42.2
245.11615	1.1
245.14948	1.1
246.05092	1.0
263.06003	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	245.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95443	0.2
56.96543	0.4
58.66227	0.2
58.99858	0.3
61.42562	0.2
63.71549	0.2
67.46153	0.2
69.03416	1.1
71.52029	0.3
73.18074	0.2
74.98893	0.2
75.29636	0.3
77.00891	0.3
77.25227	0.2
81.03395	0.9
82.99879	0.8
90.63857	0.3
97.02882	1.6
99.04423	0.4
100.02483	0.2
101.00856	6.9
101.85694	0.2
102.96849	0.7
103.00611	0.9
103.02433	0.4
105.00334	0.9
109.02809	0.3
113.00863	0.8
115.02441	0.7
118.01121	0.3
119.01900	31.7
120.01978	1.4
120.97884	0.8
121.01640	6.9
121.02296	0.4
127.02406	0.5
127.03880	0.4
129.03931	0.3
131.01891	4.4
131.05563	0.3
133.03465	1.3
136.99612	0.7
137.02936	9.7
138.03027	0.6
138.98868	0.7
139.02650	2.5
141.03995	0.2
142.03456	1.0
142.98550	0.4
143.01859	7.3
144.01997	0.3
145.03442	4.0
147.01353	1.1
147.05019	0.3
149.02916	1.0
155.00653	0.7
155.01862	1.7
157.03439	5.0
159.00023	0.3
159.01364	0.4
159.05048	0.6
160.04564	0.6
160.99666	1.2
161.02933	31.5
162.03020	0.6
163.04509	1.3
167.01831	0.7
169.03439	1.0
171.05023	0.8
173.02933	4.9
175.04501	5.0
177.00893	1.8
177.02480	0.5
178.01021	2.4
179.00673	27.5
179.03896	1.6
180.00790	1.1
180.05026	0.3
181.00977	0.3
184.04506	1.7
184.99657	0.5
185.02914	5.3
187.04503	3.7
189.05992	0.4
191.03966	2.0
192.04121	0.2
195.03897	0.4
197.03001	2.7
198.06108	0.3
199.00861	0.3
199.04485	1.7
202.02295	0.5
203.00829	1.3
203.02257	0.5
203.03947	5.7
205.05563	0.3
208.04512	0.4
210.06140	0.3
215.03946	2.5
217.05557	2.1
219.01878	0.7
219.03767	4.2
220.01921	2.2
221.01730	28.1
221.05148	1.4
222.01961	2.1
227.00542	2.2
227.04013	1.3
233.05000	0.9
244.03304	0.9
245.01810	6.2
245.05008	19.5
245.12032	1.1
246.05428	0.4
261.03015	0.6
262.71048	0.3
263.02829	100.0
263.05923	3.4
264.02954	2.9
265.03113	0.5
268.03326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79235	4.0
55.01860	8.5
55.05503	81.7
57.03428	37.7
57.07062	6.3
67.05500	27.2
69.03413	10.4
69.07050	13.9
72.06889	4.1
79.05485	15.6
81.07045	25.6
81.66615	3.8
83.04974	5.1
83.08607	56.1
91.05471	4.7
93.07030	11.8
95.08607	13.0
97.10153	94.9
105.07011	11.3
107.08571	36.2
109.10139	14.7
117.07051	4.8
119.08527	6.0
121.10092	9.5
123.11713	6.0
125.09605	100.0
128.31358	4.5
133.10124	6.1
135.08055	9.5
142.03200	9.6
143.10643	7.2
147.11656	4.5
152.52245	4.5
153.09062	5.6
161.13257	6.3
161.91876	4.0
170.10217	4.0
171.10167	5.8
171.70154	4.1
189.11198	88.6
193.49226	5.0
227.10760	4.2
229.56548	5.4
236.36620	4.8
244.25169	3.9
245.08188	4.6
245.11630	7.8
245.13835	59.0
245.22594	23.4
245.97881	5.3
246.22031	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	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12596	0.7
67.05477	0.9
69.03407	1.0
71.52183	1.4
72.42688	0.8
98.98454	3.7
119.01904	3.2
121.01626	2.5
133.03389	0.8
153.46927	0.8
161.03050	0.9
167.03108	1.6
167.26927	0.8
187.02510	1.7
187.11305	0.9
199.02745	1.5
215.00423	1.7
229.03177	33.7
229.12160	1.7
247.04236	100.0
247.13513	3.8
247.16402	1.1
248.04645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03929	2.8
55.01849	0.9
55.05494	3.3
57.43310	0.8
59.04982	0.8
65.03938	4.1
67.05479	3.6
67.55296	0.9
68.99756	1.2
69.03421	19.2
69.07053	1.5
69.42521	7.8
71.35506	0.8
76.84615	0.7
79.05481	6.7
81.07038	6.5
83.04971	20.8
91.04944	1.4
91.05470	15.2
93.03387	4.9
93.07030	13.1
95.04969	4.3
95.08583	2.4
97.02888	7.3
105.07028	12.0
107.04900	1.6
107.08578	12.6
109.02863	12.6
109.06510	11.6
109.10139	2.4
111.04388	5.0
111.08104	1.3
115.05425	3.3
116.06239	1.2
117.07010	8.5
119.08576	14.0
121.02849	3.2
121.06494	15.5
121.10132	5.6
123.08046	3.1
125.05998	1.0
125.09586	1.1
128.06200	3.0
129.06981	6.1
130.07816	1.2
131.08542	16.4
132.05673	2.0
133.06516	1.2
133.10097	8.8
135.08035	25.8
137.05954	5.2
137.08632	0.9
137.09608	3.7
139.03888	2.9
141.06902	2.3
142.07767	2.1
143.08542	12.5
144.09328	10.4
145.06465	12.1
145.10101	11.5
146.07266	1.1
147.08040	3.7
149.09608	21.3
150.10368	3.6
151.11156	4.0
153.06993	1.2
153.09103	2.1
154.07700	1.3
155.08501	4.5
156.09309	1.2
157.06497	1.9
157.10066	3.9
158.07243	2.2
158.10905	12.6
159.08063	11.7
159.11673	25.4
160.08797	3.1
161.09583	4.5
163.03819	0.8
163.07536	19.7
163.11180	2.6
165.09131	2.6
167.08627	1.1
168.09311	4.3
169.10103	3.6
170.10904	5.4
171.08041	6.1
171.11652	1.5
172.08823	17.3
173.05978	1.9
173.09605	30.8
173.13249	32.8
175.07504	1.4
177.12746	1.2
181.06459	2.3
181.09952	0.9
183.11678	9.4
185.09589	2.0
185.13174	2.1
186.10393	21.1
187.07553	2.9
187.11162	100.0
188.11537	2.4
189.09071	2.5
191.07001	38.7
193.10127	1.6
196.08923	4.6
199.07501	1.9
201.12721	53.7
203.14217	0.9
205.12178	5.9
211.11151	11.1
214.09845	3.0
219.13840	5.3
229.12213	64.6
247.13274	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03936	3.3
55.05499	3.8
57.07051	3.0
65.03912	3.9
67.05507	6.3
69.03425	19.9
69.07052	2.4
71.02625	4.8
79.05481	9.8
81.07054	13.4
83.04971	16.1
85.02922	2.1
91.05476	28.9
93.03384	5.1
93.07049	17.5
95.04961	6.6
95.08577	6.6
97.02892	8.9
103.05458	3.3
105.07021	21.8
107.04927	4.8
107.08574	19.3
109.02853	7.7
109.06527	17.7
109.10152	2.8
111.04422	7.3
115.05453	6.1
116.06242	3.3
117.06989	13.2
119.04868	2.7
119.08558	22.1
121.02868	2.8
121.06491	16.3
121.10125	7.0
123.04414	2.3
123.08051	4.4
128.06242	5.0
129.06964	8.6
130.07753	2.5
131.08537	23.3
132.05612	3.2
133.06448	2.6
133.10097	7.4
135.08049	28.6
135.11719	2.4
137.05942	3.3
137.09601	4.4
137.22755	2.0
141.06956	5.2
142.07791	4.2
143.08592	13.8
144.09320	8.8
145.06474	15.3
145.10107	17.2
147.04362	4.1
147.08014	5.8
147.11702	4.3
149.06030	2.3
149.09613	20.9
150.10400	2.7
151.11130	2.4
153.09094	2.8
155.08504	7.4
157.10147	5.0
158.07309	3.1
158.10883	10.9
158.97458	2.2
159.08044	19.1
159.11674	33.4
161.09634	7.0
163.07518	17.7
165.09099	4.0
168.09331	6.1
169.09988	2.7
170.10855	6.3
171.08040	10.0
172.08824	16.9
173.05923	5.6
173.09612	29.3
173.13246	27.8
175.03864	12.5
175.07460	3.4
175.11151	2.9
176.07031	4.0
177.09157	2.5
181.06520	3.6
183.11662	14.9
185.13225	4.0
186.10376	20.9
187.07535	3.6
187.11166	100.0
188.11502	2.8
189.09090	8.2
191.06996	36.7
191.08546	3.4
196.08777	4.0
199.07382	2.8
201.12726	54.5
203.08124	3.8
205.12190	10.8
211.11221	10.7
219.13783	7.8
229.08730	4.2
229.12216	72.1
247.05939	10.6
247.09714	8.2
247.13290	82.5
247.16963	5.1
247.20642	3.0
248.13589	2.4
248.16341	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.00410	2.2
53.03943	4.9
55.01868	2.8
55.05499	8.8
55.90679	2.1
57.07055	2.1
57.37798	1.9
59.15547	2.0
65.03922	4.1
67.05502	17.3
69.03415	6.2
69.07066	11.6
71.37769	4.1
79.05476	17.7
81.07050	21.4
83.04958	4.7
83.08578	3.0
91.05469	36.0
93.07032	37.4
95.04951	7.0
95.08594	40.6
97.06501	3.2
99.04454	6.5
105.07019	51.3
107.08582	100.0
109.06520	10.7
109.10152	23.5
111.04430	4.4
111.08070	9.0
117.06995	9.4
119.06029	3.6
119.08575	30.8
121.06506	8.8
121.10121	40.7
123.08070	11.1
123.11676	2.4
125.05954	3.0
128.06198	2.5
129.06984	7.2
130.07770	5.7
131.08551	31.7
131.34317	2.2
133.10124	44.5
135.08018	13.2
135.11667	9.8
137.05948	3.6
139.07524	4.7
141.07051	3.7
141.09145	3.3
143.08572	11.8
144.09352	4.7
145.06433	4.3
145.10103	31.9
147.08037	3.6
147.11685	27.4
148.12465	12.5
149.09605	4.5
149.13242	22.4
154.07765	3.0
155.08617	3.6
157.10156	8.6
158.07249	4.0
158.10876	3.4
159.08035	13.4
159.11694	44.6
161.09573	3.3
161.13264	4.9
163.07549	2.6
169.10130	8.9
170.10878	2.7
171.08116	2.6
171.11716	5.2
172.08838	17.0
173.05949	3.0
173.09612	29.3
173.13246	37.8
175.03883	10.4
175.11258	3.9
177.09190	4.8
179.43604	2.0
183.11710	3.3
183.78180	2.3
186.10323	7.1
187.07513	2.6
187.11177	54.4
187.14767	2.3
189.09163	3.7
189.51056	2.1
190.07639	3.0
191.08493	2.7
191.10649	8.0
198.86314	2.1
200.11942	4.5
201.12756	11.8
201.16354	32.7
202.07715	4.6
203.08546	7.9
204.09291	6.9
205.10091	10.8
205.11967	2.7
206.10931	2.9
211.14792	8.9
216.11406	3.2
217.10153	20.0
218.10811	5.4
219.11613	8.1
229.08504	2.7
229.12418	11.5
229.15842	52.8
231.11708	4.6
232.08873	5.0
232.12428	23.6
233.13023	3.5
247.02467	3.0
247.10970	7.0
247.14766	58.1
247.16971	56.6
248.07118	2.1
248.15154	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	248.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	24.4
57.54187	2.8
67.05489	6.4
68.05006	3.0
69.03424	10.4
70.06557	2.7
71.02453	3.7
71.53371	6.8
71.53727	3.3
79.05507	3.3
84.04497	7.9
85.02876	8.8
86.06065	4.4
89.03909	7.2
94.06574	3.5
95.04935	3.5
97.02887	9.1
98.97569	12.5
106.06557	6.0
107.04937	4.5
116.98608	12.0
118.06543	5.8
122.06036	10.4
130.06522	16.7
130.08636	3.5
133.05222	9.1
133.07568	3.8
134.06038	5.4
134.99690	4.0
135.04411	8.3
135.06821	3.5
139.03876	5.1
143.00163	7.2
145.02708	3.3
145.05249	4.1
145.07619	8.5
146.06009	11.2
146.99667	3.5
147.04362	3.5
147.09164	5.4
148.03966	3.5
148.07495	5.9
148.56992	3.1
157.07602	15.9
158.05963	16.2
158.99706	3.3
160.07590	8.0
161.01213	9.5
161.04646	11.2
161.07066	8.1
162.05470	15.1
163.03868	32.3
163.06264	10.9
163.08607	6.9
165.04216	9.5
173.07108	7.3
174.05473	8.8
174.07915	3.8
175.06274	6.0
175.08679	13.7
176.03308	14.6
176.07034	12.8
177.00676	4.1
177.06609	4.9
178.05014	13.0
179.05774	8.4
179.08228	3.8
185.07053	38.8
186.05527	7.6
187.02725	3.8
187.08707	3.6
188.49649	3.6
189.06606	10.4
190.05000	10.1
190.07349	11.9
191.05762	53.3
191.08099	8.7
192.08899	7.5
195.05479	4.5
201.06570	11.1
202.09721	6.6
203.04419	5.0
203.08130	27.4
204.06578	13.1
205.06148	3.2
208.08417	35.5
213.06618	10.6
215.10556	6.5
219.07614	17.2
225.00867	4.7
230.09238	23.9
231.07614	100.0
231.11153	5.2
243.01773	7.2
248.10258	92.8
248.13100	6.2
249.02809	4.9
261.02817	3.2
267.03854	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69599	15.6
69.85333	100.0
98.97594	52.9
116.98653	17.3
119.01933	28.4
143.26733	16.5
143.76015	15.6
189.02563	16.3
190.39789	17.2
249.03796	98.7
253.79880	18.5
266.95956	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	249.1119
Annotation	9beta-Hydroxyfraxinellone
Peak:m/z	Relative Intensity
53.03925	1.4
55.01854	1.9
55.05496	1.3
56.96537	0.6
57.07063	0.7
65.03921	1.3
65.17710	0.6
67.05495	6.2
69.03416	3.0
69.07052	1.3
71.33722	1.3
74.21551	0.5
77.17802	0.6
79.05479	9.3
81.03409	4.7
81.07055	6.7
83.04973	0.6
85.02895	1.0
91.05465	17.4
93.07033	5.0
95.04963	3.0
95.08570	2.9
97.02861	0.7
97.06515	6.8
98.97577	0.8
99.04440	0.8
103.05434	1.1
105.03409	3.7
105.07008	11.2
107.04951	2.9
107.08578	56.9
109.02847	2.0
109.06496	3.4
109.10137	3.9
111.08051	1.5
115.05433	5.9
116.06219	3.1
117.07034	4.9
119.04914	1.1
119.06022	1.4
119.07808	0.5
119.08542	4.0
121.06477	2.2
121.10136	1.9
122.07266	0.7
123.04472	0.7
125.05970	1.4
125.09602	4.2
128.06197	8.5
129.06982	21.6
130.07744	1.3
131.04887	2.6
131.08546	17.5
132.05679	1.7
133.06491	3.8
133.10069	3.3
135.07091	1.1
135.08035	12.6
135.11699	0.8
137.09578	1.0
139.03865	0.8
141.06976	8.9
142.07756	4.5
143.04831	0.8
143.08566	4.5
144.05699	8.8
145.06456	5.5
145.10126	1.4
146.03644	0.7
146.07227	4.0
147.04410	2.2
147.07962	1.7
147.11667	1.4
149.09613	2.0
152.06216	1.1
153.06941	2.3
153.09079	13.4
155.04897	0.7
155.05936	1.1
156.05666	2.2
157.06468	8.6
157.10063	1.1
158.07246	2.8
159.04436	0.9
159.08038	27.5
160.05164	1.7
161.05946	3.3
161.09595	9.3
161.13229	1.2
163.07516	12.9
165.01836	1.0
167.06998	1.0
169.06358	1.4
169.07602	2.9
170.07274	7.2
171.04355	1.7
171.08044	6.7
171.11661	1.2
172.05208	2.7
173.05974	3.1
174.06708	2.2
175.07570	3.5
175.14705	0.8
178.06242	1.1
181.08667	1.2
185.05933	0.8
185.13264	1.3
186.06799	0.9
187.07535	18.1
188.08229	1.3
189.05472	3.8
189.09079	8.9
189.12650	1.2
190.06306	1.2
191.06952	1.1
193.08531	0.9
198.06834	2.2
199.07486	2.8
201.05440	2.1
203.06993	5.7
203.14284	2.2
204.07805	11.5
205.08554	1.9
206.09372	1.5
213.12762	0.9
213.16478	0.8
216.07742	3.5
217.08556	1.5
218.09453	1.4
219.10110	2.7
221.08076	1.1
221.11673	2.8
231.10126	6.6
231.13805	1.8
234.06627	0.9
234.08842	1.4
243.83862	0.6
249.11192	100.0
249.14711	4.1
249.18202	2.7
250.11482	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01855	0.7
59.36222	0.4
64.93821	0.5
65.03923	0.6
67.05489	1.2
68.13748	0.5
69.03412	1.4
70.78940	0.9
70.79288	1.1
79.05471	1.0
81.07043	0.7
89.72928	0.5
91.05471	8.6
93.07018	0.8
95.04960	0.9
95.08587	0.8
97.02834	0.7
103.05456	1.4
105.07029	5.1
107.04940	2.6
107.08601	1.0
109.06485	0.8
115.05436	6.3
116.06239	4.1
117.07027	3.9
118.07774	0.7
119.04925	0.8
119.08550	1.6
128.06221	9.6
129.06998	23.5
131.04895	2.4
131.08551	18.1
132.05698	1.8
133.06482	3.3
133.10103	2.4
135.08070	0.7
139.05426	0.7
141.06976	10.9
141.07971	0.4
142.07768	3.9
143.04913	0.7
143.08524	4.4
144.05701	11.7
145.06471	7.4
146.07263	4.3
147.04402	2.2
147.08029	1.2
148.11989	0.7
152.06163	1.8
152.91924	0.5
153.06949	2.3
155.06071	1.2
156.05673	1.6
157.06491	10.9
157.10069	0.7
158.07230	2.1
159.08041	30.6
160.05206	1.3
161.05968	4.4
161.09604	10.2
161.13219	0.7
167.07037	0.9
169.06435	1.5
169.07698	3.1
170.07281	9.5
171.04431	1.4
171.08035	6.8
172.05186	4.6
173.06000	5.1
174.06735	2.9
175.03836	0.6
175.07532	3.8
175.11162	0.9
177.09203	0.6
178.06253	0.9
185.05971	1.1
186.06731	0.5
187.07533	22.1
188.08386	1.0
189.05476	5.4
189.09081	10.5
189.12686	0.7
190.06245	1.3
190.09711	0.7
191.06969	1.5
192.07851	0.7
193.08609	0.9
198.06743	1.7
199.07477	2.8
201.05457	1.7
203.06985	6.2
203.14316	1.1
204.07779	15.0
205.08583	1.8
206.09372	1.1
216.07869	4.5
217.08482	1.4
218.09348	1.9
219.10149	2.2
221.08101	1.3
221.11703	3.9
231.10150	7.1
231.13676	0.8
234.08905	1.4
249.11201	100.0
250.11496	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	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03940	0.8
55.01861	0.7
55.05493	1.0
57.03420	0.8
59.04990	0.9
64.81703	0.5
67.05499	1.7
69.03413	1.3
69.07049	0.8
71.57442	0.7
79.05465	1.6
81.03392	0.6
81.07043	2.3
85.06520	0.9
87.80273	0.5
91.05466	7.9
93.07047	2.4
95.04948	1.8
95.08588	1.0
97.02882	1.0
97.06515	1.0
99.20831	0.5
103.05431	1.6
105.07011	5.3
107.04953	2.1
107.08581	1.2
109.06487	0.8
109.10105	0.8
109.11993	0.5
115.05434	5.7
116.06217	4.7
116.98633	0.7
117.06999	4.1
118.80183	0.5
119.04904	0.9
119.08583	2.5
121.06503	0.7
121.10131	1.6
123.08044	0.6
128.06213	10.6
129.06982	22.2
129.99170	0.5
130.07797	1.0
131.04877	2.4
131.08554	19.4
132.05685	1.5
133.06458	4.3
133.10092	2.8
135.04355	0.6
135.07999	0.6
139.05353	0.7
141.06964	9.4
142.07761	4.8
143.04840	0.6
143.08537	4.3
144.05673	9.8
145.06462	7.1
145.10123	0.9
146.07265	3.4
147.04395	1.7
147.08009	2.0
149.09630	0.9
152.06186	0.8
153.06975	2.5
155.06009	1.5
156.05627	2.4
157.06456	10.0
158.07234	2.4
159.08032	29.7
160.05150	1.7
161.05954	4.2
161.09607	9.3
161.13255	0.8
167.07002	1.1
169.06380	1.8
169.07672	1.9
170.07239	9.4
171.04358	1.4
171.08025	6.3
171.11617	0.6
172.05156	3.3
173.05959	4.6
173.09525	0.7
174.06735	2.5
175.07509	4.7
177.05511	0.8
178.06226	0.8
184.05209	0.7
185.05963	1.2
185.09622	0.6
186.06686	0.8
187.07516	20.4
188.08255	2.1
189.05466	4.6
189.09074	9.6
189.12717	0.9
190.06242	1.4
191.06970	1.3
193.08583	1.0
198.06741	2.8
199.07477	2.3
201.05409	1.4
203.07004	6.8
203.14330	1.1
204.07796	13.9
205.08582	2.1
206.09306	1.4
213.12398	0.6
216.07751	5.1
217.08589	1.3
218.09335	1.4
219.10103	2.6
221.08078	1.5
221.11649	3.5
231.10136	7.1
231.13760	1.9
234.08826	0.6
249.11191	100.0
249.14758	2.7
250.11565	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	249.1484
Annotation	Lyratol D
Peak:m/z	Relative Intensity
52.62021	0.7
53.03938	2.4
55.01862	1.4
55.05500	7.6
56.96551	1.0
57.03413	1.3
57.07063	2.2
65.03934	1.5
67.01859	7.7
67.05497	20.6
68.99779	1.3
69.03062	1.4
69.03422	17.7
69.07062	4.6
71.04974	2.6
71.54710	1.0
72.74498	0.7
79.05482	10.1
81.07049	18.5
83.04967	9.2
83.08624	2.1
85.02899	1.7
85.06523	1.4
91.05470	26.1
93.07035	17.2
95.04960	19.5
95.08602	12.2
97.02912	1.1
97.06517	2.8
98.97569	2.6
99.04461	2.1
103.05460	1.4
105.07019	17.5
107.04930	2.6
107.08585	18.9
109.02891	3.9
109.06487	6.2
109.10139	11.2
110.07291	1.1
111.04446	5.6
111.08080	3.1
115.05457	3.0
116.06226	4.3
116.98596	1.8
117.07011	5.5
119.04908	2.2
119.08575	37.4
121.06490	6.0
121.10139	8.2
123.08042	3.1
123.11702	1.8
125.06009	1.3
125.09632	1.6
128.06201	2.8
129.06984	8.5
131.04955	1.8
131.08557	8.1
132.05719	1.0
133.06508	3.9
133.10120	10.6
135.08049	7.7
135.11678	2.9
137.05983	2.5
137.09610	7.1
139.07545	1.3
141.06981	2.1
142.07756	1.9
143.08559	4.9
144.05705	1.7
145.06517	2.0
145.10094	5.5
146.07272	1.1
147.04396	2.1
147.08034	100.0
147.11670	5.1
149.05936	0.8
149.09616	5.5
151.07550	1.8
151.11151	1.9
155.08548	1.1
156.09334	2.1
157.06494	2.2
157.10083	5.0
158.99677	1.2
159.08051	6.0
159.11676	2.5
161.05981	3.0
161.09616	8.3
161.13240	7.5
163.07616	0.8
163.11177	1.9
165.09109	2.2
170.07278	1.2
170.10924	2.4
171.08044	1.8
171.11694	5.4
172.05206	0.9
173.05994	1.4
173.09634	1.3
174.10304	1.3
175.07526	15.4
175.11130	7.0
175.14807	8.1
177.00725	1.9
179.03593	0.9
180.09323	1.5
180.31645	0.9
185.13206	5.0
187.07475	4.5
189.05479	2.3
189.09103	4.6
189.12733	12.1
189.16394	1.8
193.08582	1.7
193.12350	0.9
193.15974	1.5
198.10422	1.1
203.07034	1.1
203.14336	9.8
203.17940	2.1
204.07854	2.5
207.13663	1.1
213.12758	7.6
213.16362	2.4
216.07773	1.3
220.10452	3.0
221.15388	1.6
231.10214	1.7
231.13777	20.7
231.17444	3.3
249.03960	0.9
249.07558	2.7
249.11224	15.0
249.14844	23.1
249.18492	8.9
249.21028	0.9
249.22148	1.5
253.14967	0.8
264.13159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1482
Annotation	Lyratol D
Peak:m/z	Relative Intensity
51.02372	1.4
53.03933	3.9
55.01865	2.5
55.05497	10.1
56.41991	1.6
57.07055	4.7
59.04972	2.6
61.93393	1.7
65.03944	4.5
67.01859	2.9
67.05492	24.3
69.03416	43.9
69.07051	7.0
69.56335	1.5
71.04974	2.5
71.07358	1.9
71.07706	3.6
77.03911	1.7
78.16071	1.8
79.05480	19.3
81.07040	45.6
83.04967	23.2
83.08598	3.7
85.02880	2.4
85.06524	3.0
85.59872	1.8
91.01259	1.6
91.05463	51.7
93.07027	51.1
95.04944	21.3
95.08591	25.7
97.06540	6.3
98.97556	2.1
99.04492	2.1
103.05413	2.7
105.07016	31.1
105.07675	3.2
107.04914	3.2
107.08579	24.7
109.02863	7.5
109.06499	21.5
109.10136	10.8
110.07276	6.6
111.04404	4.3
111.08073	17.3
115.05420	3.5
116.06201	2.8
117.07007	7.1
117.64715	1.8
119.04919	17.0
119.08564	57.7
121.06479	17.6
121.10131	15.3
122.07330	2.5
123.08056	7.3
123.11678	2.5
125.09627	2.1
128.06198	5.1
129.06982	7.9
130.07837	1.9
131.08546	9.0
133.06450	11.1
133.10103	15.0
135.04411	2.0
135.08026	14.3
135.11678	3.2
137.05960	11.1
137.09596	18.1
139.07510	4.3
141.37885	1.8
142.07764	2.1
143.08533	7.1
144.05746	1.8
145.06458	4.1
145.10124	7.2
147.04382	19.6
147.08022	100.0
147.11635	11.2
149.09593	6.0
151.07504	2.4
156.09372	2.1
157.06499	3.9
157.10121	5.0
158.07234	1.9
159.07988	9.7
159.11630	2.9
161.05966	7.5
161.09587	16.6
161.13239	12.3
162.13370	2.2
163.11180	1.9
165.05463	34.1
170.07336	1.8
170.10925	4.7
171.11668	5.2
173.09702	1.9
175.07513	13.2
175.14824	9.7
179.07043	7.3
185.13255	6.2
189.09096	6.0
189.12671	16.8
193.08647	2.1
203.14293	21.6
204.07750	3.3
207.13745	2.1
213.12759	8.8
213.16331	2.1
231.10133	2.4
231.13814	26.9
231.17384	3.6
249.07594	4.7
249.11212	19.2
249.14857	86.5
249.18407	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	249.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17051	0.5
51.34300	0.6
53.03934	0.6
55.01863	1.4
55.05489	2.3
57.03424	1.2
65.03914	1.3
67.05213	0.5
67.05496	6.2
69.03440	3.2
69.07043	1.3
69.61012	4.0
71.04982	1.1
74.06066	1.3
79.05485	11.6
81.03419	3.0
81.07039	9.1
83.04958	0.8
85.02888	1.0
85.06499	0.6
88.07575	0.8
91.05463	14.4
93.03368	0.6
93.07027	6.3
95.04965	2.9
95.08573	2.8
97.02847	1.0
97.06524	6.9
98.20712	1.1
103.05426	1.8
103.15759	0.7
105.03408	2.9
105.07020	12.7
107.04916	2.3
107.08580	68.5
108.08948	0.6
109.02856	2.1
109.06484	5.1
109.10152	4.8
110.16159	0.7
111.04398	0.9
111.08052	1.8
115.05438	6.5
116.06232	4.1
117.07024	5.5
118.08627	0.8
118.16493	0.6
119.04899	0.7
119.06026	1.0
119.08535	4.8
121.06496	1.9
121.10116	2.7
123.08074	1.0
123.11712	0.9
125.05990	0.9
125.09631	5.2
127.03897	0.7
128.06200	9.5
129.06995	18.0
130.07806	0.9
131.04878	2.3
131.07584	0.9
131.08551	17.2
132.05641	1.5
133.06474	3.4
133.10086	5.6
135.08028	16.0
135.11720	0.8
137.05963	0.9
137.09613	1.3
139.03870	1.1
141.06961	9.1
142.07768	4.6
143.04842	0.6
143.08554	5.0
144.05682	9.8
144.13873	0.7
145.06468	6.4
145.10052	1.7
146.07280	3.2
146.71912	0.6
147.04378	4.0
147.08015	2.1
147.11627	1.3
149.09566	1.6
153.07004	1.9
153.09073	12.3
155.04884	0.7
155.06062	1.1
156.05695	2.2
157.06471	8.5
157.10127	1.8
158.07236	1.8
159.08032	25.1
159.11684	0.9
160.05165	1.7
160.08614	0.7
160.87088	0.6
161.05954	4.9
161.09619	10.5
161.13240	1.6
163.07524	15.6
163.11131	1.0
165.01834	1.0
167.06862	0.7
169.06416	1.5
169.07599	2.0
170.07224	8.1
171.04352	1.0
171.08037	8.0
171.11681	1.3
172.05151	2.9
173.05943	4.7
173.09601	1.1
174.06769	2.9
175.07535	4.2
175.11128	1.3
175.14787	1.2
178.06165	1.2
181.06335	0.8
181.08585	0.7
185.05956	0.8
185.13229	1.3
186.06715	1.2
186.18498	0.6
187.07515	18.5
188.08244	1.8
189.05486	4.9
189.09093	11.5
189.12701	1.4
190.06181	1.6
191.06955	1.6
193.08611	0.8
198.06760	1.8
199.07478	4.4
201.05434	2.4
203.07050	5.4
203.10692	1.1
203.14243	1.9
203.17952	0.7
204.07797	13.4
205.08540	1.9
206.09254	1.1
213.16376	0.8
215.64790	0.6
216.07706	4.2
217.08693	1.2
219.10182	2.1
221.08012	0.9
221.11617	3.2
223.42728	0.6
231.10138	7.7
231.13736	2.3
231.17397	0.9
234.08821	1.3
249.11197	100.0
249.14729	4.8
249.18259	3.2
250.11577	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9715
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12668	12.0
69.65089	62.5
69.65501	20.9
78.41970	11.6
84.91087	13.2
98.98456	92.2
140.91301	11.2
182.88622	11.7
206.28413	12.2
223.69325	12.3
250.97165	100.0
265.36115	13.3
273.79248	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	251.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.62890	0.4
55.05499	1.6
57.07061	0.6
59.04985	1.6
67.05483	2.1
69.03410	1.7
69.07059	1.6
69.25111	2.4
69.25530	2.6
71.04986	1.0
79.05470	2.7
81.07039	4.3
83.04945	1.0
85.06567	0.6
91.05476	3.8
93.07043	4.6
94.39908	0.5
95.04961	1.4
95.08613	3.0
97.06509	2.5
98.98456	100.0
105.07011	7.8
105.19540	0.5
107.04919	0.9
107.08575	4.6
108.05711	0.6
109.06503	1.5
109.10155	1.7
111.08069	0.7
116.99493	3.9
117.07038	2.0
119.08573	3.9
121.06487	1.5
121.10135	1.7
123.08037	1.0
125.06001	0.9
127.83084	0.5
129.06949	0.5
131.08540	3.5
131.21487	0.5
133.06422	0.8
133.10127	3.4
135.08015	0.6
135.11703	1.4
137.09572	0.7
140.01057	2.2
142.07805	1.0
143.08582	1.7
145.10094	2.5
147.08043	1.2
147.11745	2.9
149.09579	0.6
157.10129	2.6
159.08025	0.6
159.11697	3.0
161.09641	3.1
161.13191	0.7
163.11182	0.6
167.07002	2.1
173.09644	1.0
173.13271	1.7
174.99228	3.1
175.11208	1.9
175.14801	1.7
176.11902	3.1
189.16273	0.8
191.10571	0.5
191.14400	0.7
199.14854	1.0
201.09148	0.9
205.08401	0.5
217.15923	1.9
233.15369	0.8
251.05116	0.7
251.08997	0.8
251.12622	1.0
251.16441	3.1
251.20117	0.8
269.12555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.4
58.04232	1.0
59.05001	2.4
67.05492	4.5
69.03421	1.6
69.07066	2.1
70.53587	1.0
71.04982	1.0
71.26492	1.5
75.04472	29.5
79.05499	5.7
81.07055	7.8
91.05486	5.6
93.07050	5.8
95.04961	2.2
95.08589	4.1
98.98454	100.0
103.05458	1.0
105.07021	28.9
107.08575	6.2
109.06483	2.6
109.10161	2.8
115.05531	1.0
116.99484	3.2
117.07018	2.4
119.08582	11.3
119.09375	1.4
121.06485	5.8
121.10111	3.1
123.08064	2.5
124.32972	1.0
128.06163	1.1
129.07007	2.7
131.08572	6.4
133.06473	5.5
133.10133	6.8
135.08046	1.9
135.11642	1.6
140.01009	1.1
142.07776	4.7
143.08537	1.4
145.06483	1.5
145.10126	4.1
145.26421	1.1
147.08038	2.1
147.11670	6.3
149.09627	2.3
155.08611	1.1
157.10121	7.7
157.82965	1.2
159.11661	9.8
160.08885	1.4
161.09584	8.5
171.11653	1.3
172.57826	1.0
173.13252	4.2
174.99252	3.3
175.11188	9.9
175.14789	15.3
176.11969	2.8
177.12704	8.3
189.16400	4.3
193.12206	1.8
199.14853	2.6
204.73625	1.0
217.15883	14.2
251.16420	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	251.1641
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
50.74386	0.5
53.03925	0.8
55.01861	0.7
55.05500	2.1
57.07075	2.7
59.04986	2.1
67.05496	3.5
68.54040	0.4
69.03419	2.2
69.07060	2.7
69.77538	2.2
69.77950	1.2
71.04987	13.0
78.56604	0.4
79.05479	2.7
81.03400	0.7
81.07055	5.1
83.04970	2.3
83.08607	1.5
85.06532	1.5
91.05463	3.6
93.07038	4.8
95.04945	3.5
95.08598	6.3
97.06525	3.5
98.21516	0.6
98.98457	100.0
99.04420	1.1
103.05460	0.6
105.07030	5.2
107.04974	0.7
107.08596	4.8
107.76117	0.6
109.06496	1.7
109.10149	4.7
111.08065	1.8
113.05991	1.7
116.99478	3.8
117.06998	1.2
119.04943	0.5
119.08575	6.6
121.06486	1.9
121.10122	5.9
123.08058	5.0
123.11697	1.7
125.05982	6.7
125.09613	0.8
127.07499	0.6
129.07002	0.9
131.08585	2.7
133.06529	0.7
133.10114	2.4
135.08022	1.4
135.11676	1.9
137.09592	6.3
139.07491	0.8
140.01074	1.4
143.08577	0.7
145.06432	0.9
145.10104	5.9
146.61505	0.5
147.08037	9.0
147.11690	3.1
149.01793	0.5
149.09586	2.5
151.07579	1.2
151.11197	1.0
151.14796	1.2
153.09128	1.0
155.10674	0.7
157.10085	1.2
157.34805	0.6
158.10931	0.6
159.08102	0.7
159.11676	1.7
163.07578	0.5
163.11168	10.3
163.14836	1.1
165.09065	0.8
173.09665	0.6
173.13315	0.9
174.99159	2.6
175.11182	2.3
177.09062	0.9
179.14270	4.6
181.12189	2.9
187.11238	0.7
187.14812	2.0
189.12764	0.9
191.10690	0.9
191.14317	1.5
193.12177	0.7
195.10236	0.6
197.13368	0.6
205.12183	1.0
205.15919	1.6
207.13843	1.5
215.14299	3.1
215.17934	0.7
233.15340	7.2
251.16417	14.7
251.20085	1.0
252.12370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23223	1.6
55.05483	1.9
70.71975	3.4
70.72343	3.1
74.22839	1.3
75.46539	1.4
81.07038	2.9
91.05470	4.2
95.08597	3.5
96.83602	1.4
98.98454	100.0
105.07022	12.6
107.08567	3.0
110.46555	1.5
113.40376	1.4
116.99517	2.2
117.06994	2.4
119.08575	7.0
128.96428	1.5
131.08557	11.4
133.10126	4.3
142.07706	2.5
143.08563	3.5
145.06514	1.5
145.10083	3.5
157.10097	4.5
159.11656	10.0
173.13248	14.6
174.13977	8.3
174.99297	2.3
175.11179	4.3
175.14804	18.6
184.42651	1.8
199.14822	7.5
217.15828	13.3
251.16319	2.5
263.73785	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	251.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
56.96545	0.6
57.07068	0.9
59.04975	0.5
63.53630	0.4
67.05485	1.7
69.03413	2.4
69.07050	1.0
69.86319	0.4
71.04977	1.3
71.08541	0.7
71.08865	0.6
76.14282	0.4
77.01582	0.6
79.05476	1.7
81.07040	3.1
91.05478	2.3
93.07025	2.4
95.04924	0.6
95.08590	2.2
97.06498	0.9
98.98449	100.0
105.06979	3.5
107.08580	2.7
109.06508	0.8
109.10137	1.2
111.08068	0.7
116.99492	3.9
117.06978	0.6
119.08566	2.9
121.06529	0.7
121.10129	1.1
121.53130	0.4
123.08038	0.9
131.08517	3.2
132.10152	0.4
133.10106	1.4
135.08125	0.5
135.11681	1.0
136.01346	0.5
137.09540	0.4
140.01070	1.4
142.07791	1.0
143.08539	1.4
144.50655	0.4
145.10115	1.8
147.07996	0.5
147.11662	1.9
149.00743	0.4
149.09567	0.5
153.07086	0.5
157.10127	1.8
159.11661	2.6
161.09621	0.5
163.11217	0.7
173.13177	0.9
174.99225	2.4
175.11176	1.0
175.14806	0.9
189.16316	0.8
191.14268	0.9
199.14804	1.5
199.44984	0.5
217.15855	1.9
233.15337	0.9
235.42165	0.5
251.16315	2.6
251.20154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51814	1.2
63.22388	0.9
69.80711	1.0
69.81236	3.1
69.81668	3.9
82.72527	1.3
83.20036	1.0
84.55033	1.1
87.00818	2.9
91.05465	1.2
93.07017	2.3
98.21456	1.5
98.98451	18.5
103.05457	9.6
118.06519	10.0
120.08091	100.0
121.08427	1.4
136.06140	1.7
146.05992	17.5
151.07561	1.2
166.08649	3.7
179.47964	1.2
185.75488	1.0
188.07042	17.4
196.11528	1.0
206.08092	62.1
243.57100	1.2
251.39018	1.1
274.68643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1431
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
55.01855	3.4
55.05496	5.0
58.77803	1.3
67.05501	18.7
69.03415	2.5
69.07051	5.1
69.20962	11.9
69.21386	6.1
71.04996	2.1
79.05482	7.5
81.03410	2.2
81.07049	15.9
83.04978	3.4
84.43359	1.5
85.06514	1.7
91.05481	13.2
93.07042	5.7
95.04923	2.5
95.08607	3.2
98.98457	100.0
105.07020	12.8
107.08600	9.4
109.06535	2.1
109.10133	20.2
116.99480	3.5
117.77989	1.5
119.08528	2.1
123.11723	3.0
133.10109	24.6
141.05412	1.7
147.55389	1.5
149.13179	1.4
151.11159	14.3
161.09567	1.9
169.12274	1.9
174.99228	3.8
176.98824	2.8
197.11737	2.2
253.14319	47.9
254.64548	1.5
273.89392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1431
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03934	2.6
55.01863	11.3
55.05495	7.3
57.03414	3.7
57.07051	3.4
67.05495	39.9
69.03410	5.2
69.07055	7.9
71.04971	3.1
71.08590	1.8
71.56879	2.7
72.86533	1.4
75.17526	1.3
79.05482	15.6
81.03403	4.4
81.07050	32.7
83.04956	6.5
83.08579	2.0
85.06516	4.8
91.04967	2.1
91.05476	29.9
91.79475	1.4
93.07062	10.8
95.04934	6.1
95.08621	7.3
97.02866	1.9
97.06509	2.4
97.10153	1.6
98.98454	100.0
99.04427	1.6
105.07020	24.3
107.08594	18.7
109.09431	2.6
109.10143	37.9
113.08456	1.7
114.62379	1.7
116.99479	3.7
119.08561	2.6
123.11668	6.0
133.10112	42.0
136.34213	1.7
140.01035	3.6
151.11160	25.1
161.09651	2.5
169.12172	4.1
174.99242	1.8
176.98853	1.8
179.10623	2.9
215.97717	1.4
253.14302	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1431
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
52.92031	1.5
53.03936	3.0
53.91117	1.5
54.12957	1.7
55.01853	8.3
55.05499	7.9
57.03405	2.9
58.21339	1.8
59.06970	1.5
67.05494	31.9
69.03443	2.9
69.07063	9.5
71.04982	4.1
72.37216	2.1
75.60191	1.7
79.05479	14.2
81.03390	4.8
81.07045	36.1
83.04980	9.2
85.06527	5.6
91.05466	28.0
93.07064	10.4
95.04935	4.5
95.08585	6.4
97.06492	2.6
98.98459	100.0
105.07022	25.6
107.08574	18.5
108.60683	1.9
109.06490	5.2
109.10143	35.5
109.10829	3.2
113.06013	2.8
116.99485	4.9
119.08537	2.6
123.11675	8.3
127.07530	1.9
133.10115	48.0
140.01105	2.0
151.11176	25.0
169.12210	3.9
180.34210	1.8
227.85954	2.0
253.14336	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.1
56.96322	1.4
56.96564	19.2
58.92815	1.0
60.08160	83.1
65.03932	8.0
70.06597	1.1
71.50609	2.1
74.06059	1.0
79.05518	1.3
80.44288	1.1
81.07043	1.4
83.04974	1.2
84.96076	0.9
85.02897	1.2
89.03914	1.6
91.05473	8.0
93.03396	16.4
95.04964	1.7
97.02863	1.1
98.98458	19.7
100.76342	1.1
103.05434	1.7
107.04942	1.6
109.02914	1.0
110.03678	2.0
111.04437	33.0
117.03427	1.2
119.04922	5.7
120.04439	1.1
121.06500	3.4
123.04409	1.6
124.99133	1.9
125.05983	42.1
134.03603	1.6
134.05969	1.2
134.99570	1.5
135.04388	3.3
141.02238	1.4
143.00154	7.0
145.02773	1.3
149.05969	89.8
151.07535	1.8
153.05452	100.0
159.03267	2.6
161.01234	11.2
163.03896	6.8
172.95241	1.0
173.06303	1.1
177.05495	5.3
181.06456	2.1
185.01199	2.1
186.96559	1.0
187.02779	2.1
188.92438	1.3
190.03032	1.5
191.03577	1.1
195.06517	74.1
203.02354	3.1
208.09738	1.4
213.00713	2.0
219.04889	1.6
221.03310	1.4
231.01732	6.2
249.02831	13.4
254.10106	1.5
254.10974	1.8
254.13872	36.4
267.03958	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01848	4.2
55.05504	26.9
57.03430	57.6
65.03921	1.8
67.05495	78.2
69.07059	25.2
71.01337	7.2
71.04988	8.6
79.05483	72.1
79.05949	2.8
81.03403	8.3
81.07048	35.6
83.04974	19.8
83.08601	6.1
85.06525	7.3
85.87548	1.6
91.04956	2.0
91.05477	28.5
93.07035	73.1
95.04953	7.3
95.08587	12.2
97.06516	21.8
97.10151	18.6
98.98457	28.3
99.08084	3.4
100.94385	1.7
100.98866	2.1
105.07011	7.6
107.04913	2.8
107.08582	49.7
109.10149	11.9
111.08051	4.6
117.07001	6.9
119.08593	9.0
121.06448	3.0
121.10141	12.9
125.09565	3.3
130.07756	2.5
133.10126	4.5
135.08092	2.6
135.11676	100.0
137.09596	2.3
145.10110	17.7
153.12706	4.7
163.11183	14.1
181.12227	14.7
255.06512	5.6
255.15833	31.1
255.18124	2.3
256.16354	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66131	2.4
53.03955	4.8
55.01863	7.0
55.05505	36.4
57.03171	4.2
57.03431	53.1
57.07059	3.3
60.68807	2.6
67.05499	85.7
69.07054	19.8
71.01346	9.1
71.04985	8.4
78.78399	3.6
79.05486	75.6
81.03411	8.9
81.07047	32.8
81.45084	2.8
83.04970	22.8
83.08626	7.5
85.06544	2.8
91.05468	33.8
93.07035	84.1
95.04984	7.0
95.08612	12.9
97.06512	22.6
97.10159	16.8
98.98456	17.8
105.07023	6.3
107.08578	54.5
109.10146	10.8
111.08069	3.1
117.06997	9.7
119.08571	8.5
121.05093	3.0
121.06521	3.2
121.10149	15.2
133.10074	6.3
135.10652	5.2
135.11674	100.0
135.12683	5.9
145.10133	18.7
146.58005	3.3
153.12746	6.3
163.11174	13.0
176.25394	2.6
181.12254	16.1
199.13016	3.5
209.11751	5.4
255.06535	5.8
255.15718	29.8
255.84409	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	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
54.90666	1.0
55.01865	5.5
55.05493	3.3
56.05032	8.3
56.96554	9.3
57.03424	14.2
58.99862	1.3
59.04987	3.4
61.02914	6.2
65.03912	2.8
67.05489	3.5
68.05009	3.8
69.03423	15.1
69.04548	1.5
69.94500	2.5
69.94923	3.1
70.06583	6.1
71.01332	4.3
71.04983	6.3
73.02902	11.1
75.04462	1.1
75.41941	0.8
77.00886	1.3
79.05457	1.7
81.03397	5.7
81.04507	5.0
81.35411	0.8
82.06553	1.3
82.99815	1.0
83.01340	1.9
83.04965	3.2
83.06089	22.5
84.04508	1.4
84.08134	1.8
85.02895	18.2
86.06055	12.6
87.04462	6.8
88.07646	1.3
89.02374	3.0
91.03936	1.2
93.03410	5.8
93.07006	1.0
95.04961	5.9
96.04430	1.5
97.02325	1.1
97.02882	21.4
97.07640	9.2
98.03216	1.1
98.21387	1.4
98.97565	9.1
99.04435	3.2
99.09199	2.0
100.02432	2.4
101.00880	6.5
101.02364	11.3
102.05479	1.0
103.02416	1.1
103.03905	1.3
106.02834	2.6
109.02847	2.3
109.03983	3.2
109.07626	6.7
110.01297	1.2
110.07114	1.3
110.97584	1.6
111.00772	1.4
111.04455	3.1
111.09177	1.7
112.98448	0.8
112.99097	5.4
113.02366	1.4
114.05515	42.8
115.02387	2.4
115.03917	14.8
116.98602	3.7
117.04007	3.1
118.03534	1.0
119.01908	39.2
121.02835	14.4
121.06498	1.1
122.06011	1.0
123.02879	1.1
123.04436	1.6
123.05490	1.3
124.03072	1.7
124.03934	12.8
124.08690	4.5
125.03647	1.4
125.04531	1.2
126.05472	1.1
127.00660	1.5
127.03934	4.3
127.05019	16.9
127.08654	8.6
128.02274	1.3
128.98593	2.1
129.01830	15.0
129.03896	1.1
130.05110	1.1
130.08598	1.8
131.00143	7.7
131.01855	2.9
131.03401	1.2
131.05533	2.8
133.01596	1.0
133.03479	3.6
133.04959	3.3
134.99580	1.4
135.05042	2.8
137.02937	16.0
139.03986	1.4
142.03539	1.2
142.05032	1.0
143.01883	2.0
143.03368	7.5
144.99651	1.0
145.01660	3.3
145.03389	5.3
145.04918	2.6
147.03139	1.8
147.04971	1.0
149.01208	4.3
149.02930	1.0
149.06560	4.6
150.05565	1.3
150.06628	5.1
151.02347	1.4
152.07031	1.1
153.03954	2.4
153.05725	10.1
153.55841	1.2
154.01778	1.1
154.03815	2.0
155.01901	1.8
155.08134	100.0
157.01328	11.3
157.03458	1.2
158.06647	1.3
158.99637	1.4
159.02927	1.2
159.04971	1.3
161.01158	2.1
161.03017	2.7
161.04465	12.9
161.06596	3.1
162.06352	5.3
163.02892	1.7
163.04399	4.3
164.08179	2.3
166.08528	1.0
168.03593	1.1
168.53769	1.2
169.03249	1.9
169.04457	8.7
170.05170	3.5
170.09288	1.3
171.02922	4.0
171.05019	5.9
173.01353	1.4
173.02922	1.8
175.02716	1.8
177.00772	1.2
177.04149	3.7
177.54288	1.2
178.04926	34.0
178.55081	3.0
179.02008	1.0
181.06099	1.3
183.04910	2.0
184.04526	1.9
187.04436	2.1
189.00748	1.3
189.02411	2.2
189.03914	36.0
189.55731	3.3
191.02298	1.9
193.03770	4.1
195.05035	3.0
196.07173	6.2
197.02925	12.1
203.02016	1.7
203.03816	1.4
203.05521	11.8
210.02429	1.5
210.08681	4.3
210.11183	2.7
211.04524	5.5
212.04025	1.4
213.06050	1.3
215.04018	9.4
219.01646	1.5
220.04475	2.1
221.02982	12.4
221.06538	2.6
229.05577	2.3
233.01343	1.5
233.58420	2.3
237.02823	3.0
238.05634	2.7
239.04012	5.0
251.02409	4.9
256.02988	3.5
256.06781	1.5
256.09265	9.1
256.12869	30.5
256.26279	2.1
257.05072	11.7
274.04031	3.0
275.06152	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	256.2994
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
55.05499	0.2
57.06861	0.2
57.07067	5.5
58.06592	1.7
60.08154	22.0
69.53130	1.3
71.08619	2.6
76.15759	0.2
85.10173	1.1
88.07616	0.2
98.21494	0.3
98.98499	0.2
195.81859	0.2
207.38557	0.2
211.14821	0.3
238.55354	0.2
256.29950	100.0
257.15338	0.9
257.30295	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	257.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57693	0.5
53.03931	1.1
55.05505	4.6
57.03397	1.0
61.02900	0.9
65.03935	8.2
67.05500	3.8
68.98283	0.8
69.03408	1.5
70.06570	0.6
71.04978	0.7
71.56184	1.2
72.87457	0.6
73.02889	0.9
77.00927	0.7
81.03397	1.2
82.99857	1.0
83.04969	8.2
85.02892	2.1
86.60607	0.5
86.99324	0.8
93.03398	12.0
95.04957	11.1
97.02899	1.4
101.00866	17.2
104.10728	4.0
105.00355	1.1
107.03428	0.7
108.04482	0.8
111.04423	5.9
113.00840	0.8
115.02363	1.0
119.01905	100.0
120.02021	1.8
121.02856	41.5
123.05495	1.2
124.02421	0.7
125.04460	3.3
125.07137	0.8
127.02399	0.9
131.01877	5.5
133.03441	1.5
135.34822	0.6
137.02940	37.2
139.02350	1.0
139.03873	4.7
141.03967	1.9
142.03490	2.0
145.03441	2.2
149.02943	1.0
151.02422	0.9
152.07010	1.9
153.03955	3.0
155.01918	2.0
156.08493	0.9
157.03418	1.7
159.05016	1.5
160.04550	1.3
161.02872	0.8
163.59677	0.6
169.03448	7.1
171.05014	8.3
173.03004	3.9
177.04048	1.3
179.01904	2.5
183.04997	2.2
185.02985	0.8
187.04469	2.1
193.03488	2.4
195.01334	1.4
195.05016	8.6
197.02930	16.6
198.03198	0.8
199.04526	0.8
201.06120	1.4
203.01875	7.0
203.03772	1.1
209.02916	1.3
211.04491	11.5
213.06085	5.1
215.03986	14.6
221.02925	32.6
227.04021	1.0
229.05620	3.6
233.05075	1.9
239.03970	14.6
244.04486	0.9
257.05038	40.1
257.11221	1.6
258.05414	1.3
275.06088	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	257.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.90641	0.4
55.05504	5.9
56.96555	1.8
57.03421	0.6
58.99829	0.5
65.03935	12.7
67.05492	4.0
69.03409	1.2
69.43513	1.9
69.43936	1.5
81.03407	1.0
82.99863	1.1
83.04974	7.6
85.02898	1.2
86.99293	0.4
93.03394	14.4
93.03965	0.9
95.04957	11.5
97.02880	0.7
98.21484	0.5
98.97574	0.7
101.00862	18.8
104.10704	0.4
105.00363	1.0
107.03459	0.7
111.04435	5.6
113.00858	0.7
115.02452	0.6
119.01903	100.0
120.02026	1.6
121.02853	44.8
125.04515	2.2
131.01859	2.1
133.03426	1.0
134.05986	1.0
137.02937	36.8
138.03065	0.4
139.02330	0.8
139.03891	4.8
141.03990	1.9
142.03488	2.6
145.03455	1.4
151.02385	1.0
152.07039	1.2
153.03937	2.2
155.01889	0.7
157.03467	1.0
159.05008	1.8
160.04558	0.6
161.02933	0.8
165.02472	0.7
165.03862	0.5
169.03465	7.2
171.05014	7.2
173.02913	1.4
179.01866	1.9
183.04909	2.0
185.02946	0.5
187.04498	1.5
189.06053	0.7
193.03430	1.7
195.01360	1.2
195.05017	7.8
197.02927	16.8
198.03056	0.7
203.01872	5.5
211.04472	10.0
213.06029	4.8
215.03984	14.4
216.04210	0.7
220.04536	0.5
221.02917	31.6
222.03075	0.9
229.05586	4.0
233.05093	1.3
234.06235	0.4
238.05421	0.4
239.03964	14.1
244.04456	1.3
245.18140	0.4
257.05026	38.2
257.14932	0.8
258.05148	1.0
275.06088	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
52.93794	0.6
55.45913	0.6
56.60539	0.8
57.03428	0.6
57.07076	3.1
58.06577	0.8
65.20005	0.6
67.01858	1.7
67.05499	1.2
68.99776	1.1
69.03434	1.3
70.06590	4.6
71.06911	0.7
71.08625	0.8
71.53057	1.2
79.05505	3.3
80.10983	0.7
81.07040	0.9
88.07620	5.5
89.07955	1.5
91.05454	3.5
95.04943	0.9
100.84286	0.6
102.09155	4.1
103.05453	25.0
103.09495	1.7
105.03348	0.9
105.07002	1.1
107.04948	3.6
117.06986	1.1
123.04417	1.2
131.04915	46.4
132.05258	0.9
145.06543	0.7
145.10130	0.9
151.03886	2.9
153.01808	100.0
154.02162	1.4
171.02881	2.9
173.05946	2.9
173.13139	0.8
179.03360	1.7
191.06993	0.9
215.07042	1.4
239.06870	0.9
243.20862	0.7
256.26315	8.1
257.08060	98.2
257.18936	2.0
257.26654	30.7
258.08475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34687	0.8
55.01871	1.0
57.03428	6.1
61.64940	0.7
65.11043	0.7
70.75546	1.3
75.04475	3.8
79.05468	2.8
82.31661	0.9
88.76902	0.9
91.05468	2.1
94.04165	1.4
103.05469	2.1
105.07024	32.3
107.04937	1.8
122.03610	4.7
133.06483	53.0
134.06850	0.8
137.05966	100.0
138.06279	1.4
145.06464	1.0
163.07533	3.6
165.09105	25.0
175.07503	2.5
177.09038	0.8
181.08566	2.9
183.10136	4.6
203.10660	1.3
209.11662	1.2
221.11766	1.9
257.07986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1533
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
55.05289	0.3
55.05505	3.0
56.03930	0.3
59.04990	0.4
62.53219	0.3
67.05481	0.6
69.07040	1.1
71.54377	0.5
81.07027	0.4
91.05455	0.5
93.07027	0.4
102.04759	0.3
105.07043	1.5
107.08574	0.3
109.10138	0.6
115.05423	0.6
117.06973	0.9
119.08572	0.7
128.06180	1.6
129.07005	2.1
131.08536	1.5
141.06963	8.6
142.07753	5.7
143.08542	9.1
145.06429	0.4
145.10077	0.9
153.06952	2.9
154.07753	3.0
155.08533	35.3
156.09331	3.9
157.10089	2.2
159.08037	1.3
161.63582	0.3
162.63562	0.3
163.07516	0.6
165.06934	1.3
166.07803	0.6
167.08536	13.4
168.09323	4.2
169.10097	16.5
171.07939	0.4
173.09563	0.6
179.08664	0.4
180.09305	0.5
181.10094	3.2
182.10889	21.0
183.08026	1.1
183.11661	2.5
184.12444	0.8
185.09607	1.7
191.08516	0.7
193.10027	0.4
195.11734	2.0
196.12486	1.5
197.09547	3.6
197.13229	89.7
198.13585	1.9
199.11226	0.3
201.09042	2.1
202.09801	0.7
206.10876	1.3
211.14796	5.1
215.10670	1.7
217.75468	0.3
221.13202	5.0
239.14203	1.3
257.15326	100.0
258.15662	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1531
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
55.05493	2.3
57.07060	1.1
58.06588	0.6
60.08158	2.9
61.08476	0.8
67.05463	0.9
69.07054	1.0
69.56084	3.6
69.56495	1.0
71.08600	0.5
76.67574	0.5
81.07052	1.3
85.06529	1.1
91.05472	0.7
105.07001	1.6
109.06489	0.9
116.41975	0.5
117.06975	1.0
119.08572	0.6
128.06210	2.0
129.06993	3.0
131.08501	2.4
141.06949	8.3
142.07767	5.9
143.08537	9.6
145.10144	1.1
153.06972	3.4
154.07732	3.7
155.08536	39.4
156.09348	4.2
157.10069	3.9
159.08087	1.0
165.06946	1.0
166.07750	0.7
167.08531	14.2
168.09291	5.0
169.10106	18.3
173.09586	0.6
178.83958	0.7
179.08434	0.8
180.09270	0.7
181.10068	3.9
182.10887	24.4
183.08026	1.2
183.11623	2.8
184.12456	0.8
185.09558	1.4
191.08557	0.6
195.11659	2.8
196.12425	1.8
197.09602	4.0
197.13229	93.0
198.13609	1.6
201.09047	2.7
202.09795	0.5
206.10886	0.7
211.14799	6.7
215.10675	2.3
221.13208	4.8
239.14215	2.9
257.15329	100.0
257.27426	1.0
257.30286	21.1
258.15686	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	257.1896
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.92969	0.9
55.05498	5.1
57.07059	2.3
59.05024	1.0
64.66925	1.0
67.05493	6.1
69.07051	5.3
70.18154	2.0
70.18561	3.3
70.72733	1.1
71.04963	3.9
72.08147	2.5
77.03944	1.2
79.05485	6.4
81.07043	7.2
83.04962	3.2
83.08593	2.6
85.06530	4.1
88.07616	1.2
90.09161	1.2
91.05476	7.7
92.91630	1.0
93.07035	14.4
95.04958	6.5
95.08138	0.9
95.08608	11.5
99.08064	1.5
105.07014	22.9
106.07799	1.2
107.08586	15.1
109.06519	6.1
109.10135	11.7
111.08046	1.8
113.09599	1.2
114.57071	1.1
115.05401	1.6
117.07005	4.2
119.08565	24.1
121.06426	1.2
121.10124	68.3
122.10424	1.8
123.08030	4.8
123.11693	1.9
128.06175	2.5
129.06973	6.6
130.07796	1.2
131.08557	14.3
133.07623	1.8
133.10107	13.2
135.08022	13.3
135.11633	4.1
137.09604	5.6
141.06938	2.5
142.07748	6.9
143.08537	16.7
144.09282	3.7
145.10098	17.6
147.11638	3.9
149.09566	4.5
153.07040	1.3
155.08530	3.8
156.09315	5.7
157.10107	25.0
158.10840	4.2
159.08049	1.6
159.11687	21.9
161.09581	3.2
161.13214	1.4
163.11151	3.9
168.09288	1.9
169.10095	11.8
170.10905	2.2
171.11667	12.4
173.09608	3.5
173.13229	24.5
174.13943	3.1
175.11153	2.8
175.14774	2.5
177.12715	2.6
182.10963	1.8
183.11656	10.8
184.12386	3.5
185.13190	3.2
187.11147	6.5
187.14787	6.1
189.12723	3.0
195.11633	1.5
197.13252	10.5
198.13858	1.6
199.14789	38.6
200.15121	1.3
201.12700	8.4
209.13286	1.6
210.14125	1.5
211.14717	2.6
213.16357	12.5
214.13708	1.1
214.17072	2.9
215.14293	3.7
215.17929	10.3
218.66832	1.1
224.15666	2.2
230.54453	1.1
239.17938	13.8
239.52675	1.2
255.72801	1.0
257.18967	100.0
257.26465	5.3
258.19308	3.8
258.27924	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	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	7.1
55.55393	3.8
56.96558	53.2
57.03416	5.7
58.99863	5.2
61.02913	5.4
63.09354	4.4
63.45637	4.0
65.03935	10.1
67.05499	7.7
68.99773	6.5
69.03394	11.2
69.68425	23.9
70.06566	9.9
71.04950	4.9
72.08144	6.8
72.93777	4.3
77.00901	9.5
79.05496	4.4
81.03438	5.8
83.04967	8.3
84.04492	14.2
84.08138	11.0
84.96017	7.5
85.02873	12.9
86.09704	5.3
89.03906	8.8
91.05465	7.7
93.03397	10.7
93.07024	11.2
93.33240	3.9
95.04967	12.3
96.16280	4.3
97.02875	16.4
98.21491	4.7
98.97563	10.8
99.04458	5.3
100.02184	83.4
100.03972	6.9
101.00873	11.6
103.05465	9.9
105.06979	5.5
107.04930	8.1
109.02831	4.3
111.04427	7.5
111.16184	4.2
116.98629	12.4
117.03353	5.0
117.06940	4.0
119.01908	60.6
120.02003	4.1
121.01656	35.5
121.02871	21.0
121.06500	29.0
127.03910	5.3
128.98642	5.8
131.01880	37.5
133.03455	17.1
134.99651	9.9
135.04391	15.0
137.02957	16.8
139.02686	17.1
139.03906	9.5
139.05022	10.7
143.00165	6.7
145.01776	5.1
145.02763	6.3
146.02684	88.1
146.03720	3.7
146.99657	6.9
147.03217	5.0
147.04344	6.3
149.03014	23.9
150.96855	4.6
151.04485	8.4
151.07533	24.2
157.06454	4.5
158.04488	5.5
159.03253	5.0
161.01190	8.8
163.02721	5.3
163.03889	58.6
164.04208	8.2
165.00754	4.9
165.09088	13.1
169.01810	3.7
169.06065	6.3
171.01323	8.8
174.99283	7.4
175.00887	33.9
175.02635	7.7
177.00795	7.4
177.02402	14.5
187.02827	5.6
187.04495	6.2
189.00809	6.6
189.02354	24.0
193.00192	21.7
193.01961	18.9
199.02307	20.4
205.06068	5.2
213.00653	6.6
213.02383	9.9
213.05327	6.1
213.06981	12.0
215.03871	8.6
215.80609	4.2
217.01967	28.9
217.03781	9.0
223.02771	7.8
223.07076	7.4
231.01678	11.7
231.03456	10.9
231.06604	4.6
235.03050	23.3
241.03322	11.7
245.31232	4.0
249.02861	8.2
254.00790	5.6
255.01640	4.1
259.04309	100.0
259.06659	4.5
259.10358	3.5
259.13193	31.7
259.16473	5.7
259.20551	4.7
277.04037	12.6
277.24945	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	259.06
Annotation	Alternariol
Peak:m/z	Relative Intensity
51.02384	0.3
53.03940	0.3
55.01879	1.7
55.05497	0.5
56.05027	4.0
58.99583	1.1
65.03931	3.4
67.05489	0.6
68.05018	0.4
68.99780	3.1
69.03424	1.1
69.82896	2.1
70.02943	0.9
70.06593	0.7
71.07608	0.3
76.03996	0.6
79.05475	1.6
80.05003	0.7
81.03415	0.4
81.07056	0.6
84.04494	0.8
84.08164	0.4
85.01115	1.4
85.02886	0.6
86.00654	1.2
86.99064	0.8
87.02682	0.4
88.02214	0.4
91.05477	1.4
93.07027	1.1
94.06563	0.8
95.04945	0.6
96.08109	0.5
97.01118	0.6
97.02880	1.1
98.09673	5.4
98.21424	0.3
100.11254	1.2
102.05534	1.1
103.05467	0.9
105.03394	0.5
105.07028	1.7
107.04939	1.3
108.08115	0.6
109.02856	0.6
110.03629	0.4
110.09680	1.1
111.04413	1.0
112.03922	0.4
113.04234	2.5
115.05488	1.0
115.31691	0.3
116.01665	2.2
117.07018	1.1
119.08569	0.5
121.02855	19.6
121.06495	2.7
122.09674	0.7
123.04420	5.4
128.06195	1.6
129.07005	3.7
130.05003	0.7
130.06850	0.4
131.04948	0.5
133.06500	1.3
135.04416	0.7
135.08102	0.4
137.02344	1.2
139.05406	1.9
141.06979	0.7
143.04913	0.8
145.06444	1.3
147.04407	2.3
147.08023	0.4
149.02325	100.0
150.02907	1.2
151.07506	1.9
156.08423	3.9
156.10175	4.2
157.06480	8.7
160.05162	0.7
161.05887	1.5
163.03931	1.5
163.07558	0.9
165.09102	0.9
167.03397	1.6
167.04916	1.1
169.06549	0.3
171.04385	0.8
175.07532	3.4
181.06491	0.4
184.05266	0.5
185.05951	17.7
188.08221	1.0
189.03395	0.6
189.05460	1.4
194.77567	0.4
195.05559	0.7
203.07051	1.3
209.75609	0.4
213.05441	18.7
214.06004	0.6
216.06964	1.0
217.05031	0.5
231.06496	80.6
232.06824	1.6
241.04945	2.6
242.08240	0.3
259.05988	58.8
259.11044	7.3
259.13400	1.5
260.06293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03935	3.0
55.05501	8.8
55.26890	2.3
57.07042	2.6
62.68979	2.4
67.05489	11.7
69.07056	31.5
70.60153	6.9
71.04979	22.8
79.05477	8.4
81.07045	23.2
83.04958	5.3
83.08596	6.0
85.06537	19.6
91.05469	12.6
93.07015	17.4
95.04961	4.4
95.08604	22.1
97.06538	6.0
97.10138	2.7
103.05436	3.0
105.03371	8.4
105.07008	26.2
107.08582	20.5
109.06525	6.1
109.10172	10.8
111.08070	11.7
117.07026	6.8
119.08557	56.7
121.06544	11.0
121.10101	15.3
123.08052	2.7
123.11687	21.3
125.09636	3.2
126.66166	2.3
129.06949	3.6
130.07761	3.5
131.08536	16.7
133.10114	29.9
135.07993	12.5
135.11641	6.2
137.09520	2.7
137.13184	2.7
143.08521	8.3
145.10091	28.8
147.11678	18.5
156.09206	2.9
157.10152	11.1
159.11665	32.1
160.12418	4.4
161.09610	3.0
161.13220	35.2
163.11110	4.4
163.14734	2.6
171.11589	12.4
173.13213	8.1
175.11156	6.9
175.14798	75.3
176.15536	3.9
177.12727	4.3
177.16388	3.2
179.35629	2.9
185.13226	13.0
189.12776	3.5
189.16345	5.9
198.32884	2.3
199.14851	4.9
201.16327	26.6
203.14290	9.0
215.17981	6.8
217.19374	4.9
241.19458	13.4
244.12315	5.5
259.13141	3.7
259.20541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.28811	0.4
56.05028	5.8
56.33013	0.4
63.73193	0.3
63.94324	0.4
65.03914	0.9
68.05000	0.5
69.68805	2.3
70.06583	11.0
71.06104	1.0
76.03133	0.4
79.05486	1.5
82.02907	1.1
84.04488	0.8
85.07642	0.8
92.04991	2.2
95.04937	0.5
96.04468	1.2
97.02914	0.5
98.06036	2.0
99.05575	4.1
103.05433	2.3
104.04996	1.2
105.03379	2.2
105.05749	4.8
106.06541	1.5
110.06035	0.9
111.05571	0.7
112.07905	0.4
113.06361	0.6
113.07110	8.3
117.05751	0.4
120.04449	55.1
121.02871	1.0
127.05016	3.7
130.06519	2.2
132.04436	10.6
133.05247	1.9
134.05994	5.3
137.04700	14.4
141.06567	75.8
142.06923	1.0
143.71780	0.4
146.02332	1.8
146.04955	0.4
146.06001	0.7
148.03909	0.5
150.02617	0.5
158.05991	7.3
160.07513	2.3
162.05418	0.4
189.08989	0.6
190.09380	1.2
193.10854	0.5
201.06563	2.2
204.13788	0.5
216.07289	0.5
217.09718	1.8
232.10779	24.9
260.10278	33.1
260.12711	1.8
261.10706	0.7
278.11322	100.0
279.11633	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51096	0.2
56.96559	1.4
60.89780	0.2
67.63445	0.2
70.34601	0.9
79.14317	0.2
82.99806	0.2
98.97567	4.0
101.00864	1.7
103.84492	0.2
105.68943	0.2
116.98607	3.5
119.01908	8.1
120.02048	0.4
134.99657	1.8
137.02934	2.7
140.98676	0.2
143.00108	0.4
146.99683	0.3
153.00783	0.6
156.27942	0.2
158.99811	1.2
161.01157	0.5
161.02969	0.4
161.24390	0.3
169.03438	0.3
170.99600	0.2
175.02927	0.3
177.00928	16.4
178.01036	1.0
179.00734	0.7
182.99841	0.5
189.00645	0.3
195.01920	0.3
197.02907	0.5
200.02641	0.4
201.00833	1.3
217.04047	2.7
218.03647	0.7
219.01978	22.3
220.02162	1.2
220.04248	0.2
221.01730	2.8
222.01886	0.3
225.00835	2.2
237.98627	0.7
238.98250	0.4
242.03670	0.5
243.01967	7.8
244.02068	0.4
256.06534	0.3
261.03021	100.0
262.03180	5.4
263.03470	0.5
266.03571	0.4
279.00385	2.3
284.04645	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	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
55.01851	1.4
56.96560	5.3
57.03419	0.9
60.08126	1.1
61.02895	1.4
69.03400	1.7
70.06583	4.9
70.90887	2.8
71.04977	1.1
73.02880	1.7
81.03392	1.3
83.04956	3.3
84.04497	3.3
84.08125	5.0
84.32720	0.9
85.02898	2.7
86.06025	1.3
86.09687	6.8
87.96468	1.0
88.03976	1.2
96.63864	0.9
97.02876	1.8
98.06017	1.2
98.97560	4.5
99.04445	2.1
99.84113	0.9
110.97577	1.5
112.07601	2.3
114.05490	2.4
116.98596	1.6
119.01908	1.4
128.98582	1.5
130.08595	1.4
131.01822	1.5
132.06584	1.6
133.03438	1.1
134.99631	1.2
138.99971	1.2
139.03680	1.6
140.98569	1.8
146.99590	1.9
169.01089	1.7
171.02608	2.3
171.05020	1.2
173.01183	1.1
177.04031	1.2
187.04488	1.1
201.00705	1.5
201.03734	5.0
219.01767	2.5
221.05116	1.3
229.03188	34.6
237.02820	3.2
243.04788	4.7
243.13365	2.0
261.05811	100.0
261.09375	13.5
261.14435	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	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03933	2.1
54.98542	0.9
55.01860	1.0
55.05499	9.5
57.07072	2.8
61.47581	1.0
65.03931	1.5
67.05499	22.1
69.03416	1.1
69.07053	9.2
71.04979	1.3
71.08606	1.1
71.57475	1.5
71.57838	1.2
73.23064	1.2
79.05483	24.6
81.07045	33.0
83.08601	4.6
85.06512	1.9
91.05462	21.6
93.07035	36.7
95.04951	3.9
95.08593	41.6
97.06536	1.7
99.08079	1.4
105.07014	46.8
107.08582	38.8
107.09168	0.9
107.50407	1.1
109.06538	2.1
109.10137	18.3
111.08078	1.6
117.06984	10.5
119.08570	35.1
121.06519	1.9
121.10132	20.8
123.08019	1.7
123.11690	2.6
128.06189	1.1
129.07002	1.5
131.08553	22.4
133.06464	1.4
133.10114	37.7
135.08020	4.7
135.11676	9.0
137.09622	1.2
141.06943	2.7
143.08536	12.1
145.06427	1.6
145.10103	48.3
147.08012	2.9
147.11661	35.1
149.09634	5.5
149.13234	8.0
153.09096	3.9
155.08521	2.5
157.10150	5.1
159.08044	3.7
159.11673	39.0
161.09634	2.8
161.13268	8.0
163.07529	2.3
163.11214	1.2
163.14810	4.5
165.09058	4.8
167.10640	4.0
169.10118	6.0
171.11627	2.7
173.09627	1.6
173.13254	13.4
175.14844	1.3
177.09084	1.9
179.10692	2.3
183.11642	6.5
187.11153	11.4
187.14853	4.9
191.10672	3.2
197.13316	2.8
199.14786	4.7
201.12718	6.5
201.16356	32.6
205.12213	31.9
205.14165	1.8
215.14328	4.4
215.17842	5.3
218.12869	1.0
219.13786	4.3
225.16417	6.2
243.17461	13.4
243.21027	5.9
261.03931	1.3
261.18491	100.0
261.22101	31.9
262.18668	1.7
275.65549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
52.29006	1.4
53.03932	3.3
55.01844	1.9
55.05503	14.7
57.07057	5.3
65.03936	2.1
67.05161	2.4
67.05497	36.9
69.07056	14.3
71.05011	3.3
71.56754	2.6
79.05486	47.0
81.07044	51.3
83.04925	1.4
83.08604	8.6
85.06518	3.4
91.05469	31.1
93.07034	67.2
95.04954	4.9
95.08595	50.8
95.09219	2.2
97.06509	4.0
97.10147	2.1
99.08086	2.6
103.05416	1.5
105.07015	56.0
107.08578	59.0
109.06482	3.9
109.10149	19.1
111.08071	2.3
115.05476	1.3
117.07004	13.4
119.07762	2.5
119.08570	36.4
121.06525	1.7
121.09293	2.2
121.10130	38.3
123.08080	3.4
123.11677	5.4
125.09628	1.2
129.06949	2.8
130.07764	2.0
131.08540	29.7
133.10109	43.8
135.08058	3.8
135.11684	26.1
137.09552	2.1
137.13210	2.5
142.07770	1.5
143.08545	8.8
144.09322	1.9
145.10100	54.2
147.08023	1.8
147.11668	44.2
148.11919	1.6
149.09593	3.2
149.13235	20.1
153.09109	5.0
155.08530	2.4
157.10107	5.3
159.07971	2.4
159.11668	41.9
161.09595	3.1
161.13243	15.3
163.14787	15.0
165.09126	5.2
167.10680	2.5
169.10130	5.8
171.11630	2.3
173.09595	3.0
173.13246	13.9
175.14809	3.6
177.09111	1.9
177.16391	2.5
179.10603	2.4
180.62772	1.3
183.11671	7.0
187.11122	8.2
187.14748	9.7
191.10643	3.4
199.14790	5.6
201.12672	8.8
201.16370	29.4
205.12212	28.9
215.14294	3.7
215.17943	5.6
219.13792	5.1
221.24861	1.6
225.16432	7.1
243.17451	13.7
243.21048	20.5
261.03897	1.8
261.18478	100.0
261.22089	65.5
262.14319	3.8
262.22504	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02380	0.8
53.03927	2.4
55.01853	1.4
55.05502	14.4
57.03415	1.4
57.07068	4.2
65.03925	2.5
67.05493	47.6
69.07056	14.1
71.04974	2.6
71.08620	2.3
73.41683	0.5
77.03909	1.0
79.05479	59.7
81.07043	52.6
81.07742	0.8
82.07372	0.5
83.05000	1.5
83.08603	7.7
85.06531	4.0
85.10190	0.8
91.04971	0.5
91.05464	29.7
93.07028	80.2
94.07329	0.6
95.04952	5.1
95.08591	39.6
97.06508	4.1
97.10163	3.3
99.08086	3.9
105.04503	1.3
105.07015	22.3
107.08578	55.6
109.06509	3.2
109.10143	17.2
111.08056	2.6
117.06983	6.5
119.08561	17.1
121.10123	43.8
123.08055	1.8
123.11706	4.6
125.09603	0.9
127.11138	0.9
131.07561	1.2
131.08548	16.7
133.10109	13.8
133.11086	1.0
135.08078	1.0
135.11670	35.0
137.09587	1.5
137.13251	1.7
139.11133	0.5
145.10097	16.7
147.11665	13.3
149.09610	1.3
149.13232	28.4
151.11128	1.0
151.14867	0.8
156.35205	0.5
157.10106	0.8
159.11673	11.5
161.13234	12.8
163.11169	1.0
163.14790	18.7
165.12749	1.6
173.13237	10.9
175.14801	5.5
177.12662	0.7
177.16360	5.6
179.14272	1.3
187.14793	7.7
191.14346	0.7
193.15898	0.6
201.16338	2.8
205.16008	1.1
207.87471	0.5
215.17938	2.5
216.01526	0.5
217.19496	1.1
219.17470	1.2
233.22595	1.8
243.21037	31.5
261.03772	0.6
261.22092	100.0
262.22241	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.05505	13.1
56.35564	0.8
57.03426	1.6
57.07050	3.4
65.03909	1.2
67.05495	44.4
69.07058	13.3
70.63478	2.7
71.04974	2.0
71.08620	1.9
79.05482	60.9
81.07048	45.6
83.04948	0.8
83.08608	7.5
85.06528	3.3
91.05466	28.8
93.07034	78.5
94.07365	0.8
95.04967	5.1
95.08591	34.9
97.06514	3.0
97.10146	3.1
99.08090	4.4
105.04513	1.1
105.06406	0.5
105.07014	18.5
107.08582	51.1
109.06528	1.9
109.10144	14.9
111.08077	2.3
111.11713	0.9
113.09629	1.3
117.06992	7.1
119.08575	16.8
121.10129	44.2
123.08038	1.5
123.11686	6.0
123.18546	0.8
131.08554	15.2
133.10123	14.0
135.08052	1.4
135.11674	36.0
137.09613	1.1
137.13284	1.8
139.11162	1.2
145.10107	16.2
147.11655	11.8
149.09531	0.8
149.13240	26.6
151.11150	1.1
159.11684	12.5
161.13216	10.5
163.14801	19.5
165.12794	1.1
173.13248	11.0
175.14778	4.5
177.16362	3.5
179.14285	2.1
187.14801	6.4
189.16362	1.3
201.16383	4.3
205.15918	0.9
233.22688	1.1
243.08054	1.5
243.21051	31.5
261.03891	1.7
261.07172	1.0
261.22113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.12012	0.8
52.44786	0.9
53.03927	3.3
55.01848	1.2
55.05505	16.2
57.03423	2.3
57.07069	4.7
65.03927	2.3
67.05495	50.3
69.07066	17.4
71.04967	3.1
71.08614	1.3
79.05481	68.3
81.07043	64.2
83.04935	1.4
83.08599	7.9
85.06519	3.5
91.05466	34.3
93.07030	88.9
95.04931	6.8
95.08593	44.1
97.06496	3.8
97.10133	2.8
98.21544	1.5
99.08089	5.0
105.04496	1.4
105.07017	27.3
107.08578	55.8
109.06484	2.7
109.10139	19.7
111.08060	3.8
113.09605	2.1
114.52500	0.9
117.06992	9.1
119.08558	22.0
121.10125	49.6
123.08031	2.8
123.11681	5.5
125.09621	1.3
130.07773	1.2
131.07593	1.2
131.08548	17.1
133.10110	20.1
135.08018	2.9
135.11673	38.5
135.12718	2.2
136.12004	1.3
137.09637	2.4
137.13187	1.7
143.08559	1.3
145.10103	23.8
147.11661	19.8
149.09549	2.6
149.13237	28.8
151.14780	1.9
159.11671	17.1
161.13228	16.8
163.14798	23.4
169.10190	1.0
173.13243	13.6
175.14777	4.3
177.16356	5.9
179.14340	1.8
183.11673	1.6
185.13176	1.0
187.14786	7.4
201.16287	7.7
203.18033	1.2
205.12204	5.1
215.17938	3.2
217.19829	1.2
229.17941	1.0
243.17389	1.9
243.21063	36.2
244.21266	1.2
261.18561	11.4
261.22101	100.0
262.14346	3.1
262.22552	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	3.7
53.49076	0.8
55.01869	1.2
55.05504	14.2
57.03416	1.4
57.07054	3.5
58.88154	0.8
65.03912	1.5
67.05496	40.8
69.07058	11.8
70.59191	1.1
70.59530	2.1
71.04959	2.7
71.08624	1.8
77.03905	1.1
79.05482	59.8
81.07046	48.1
83.04958	1.1
83.08610	6.4
85.06541	4.3
91.05470	29.5
93.07031	74.9
95.04949	5.7
95.08593	37.5
97.06523	3.5
97.10139	2.3
99.08085	3.9
105.07022	21.9
107.08579	46.2
109.06494	2.3
109.10143	14.2
109.70937	0.9
111.08053	3.6
113.09621	1.4
117.07005	6.3
119.08554	14.2
121.10127	42.5
123.08028	2.5
123.11702	4.6
129.06953	0.8
131.08548	15.9
133.10118	14.7
135.11670	37.0
137.09624	1.4
137.13205	1.4
145.10086	15.9
147.11673	12.1
149.13243	27.9
159.11655	10.9
161.13229	11.9
163.14803	20.8
165.12680	1.4
169.40573	1.0
173.13243	11.3
175.14804	5.0
177.16353	5.8
179.14220	1.9
183.74289	1.0
187.14763	5.9
189.16360	0.9
201.16373	2.9
215.17929	1.9
233.22704	0.9
243.21045	31.7
261.22113	100.0
262.22495	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	262.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73051	1.2
53.03208	1.3
55.01868	1.7
55.05499	1.9
56.96559	20.7
57.03426	2.6
59.04986	2.3
60.04511	4.9
60.08158	2.2
61.02919	1.5
61.82690	1.4
68.99783	2.9
69.03441	1.6
69.51942	7.0
69.52363	4.8
70.06584	86.8
71.04983	41.2
74.06059	3.1
79.05482	3.4
81.03395	3.4
81.07049	1.5
81.79591	1.4
83.04962	2.4
84.08108	3.7
84.96036	1.5
85.02894	30.2
86.09698	1.6
87.00817	4.1
88.07619	36.1
89.03913	4.3
91.05465	1.8
95.04939	2.7
95.34102	1.6
97.02880	2.5
98.06042	23.3
98.20795	2.0
98.97573	5.3
99.04446	2.9
101.00862	3.1
107.04956	2.0
111.00811	2.0
112.07593	4.2
116.07079	62.8
116.64709	1.6
116.98621	5.1
117.03375	5.4
117.05473	7.6
119.01901	8.7
119.04890	1.9
124.07628	2.9
128.98558	1.9
130.08627	100.0
131.01906	3.2
131.99619	1.7
134.08110	13.2
135.04408	10.8
139.03853	4.1
140.07114	2.6
143.00166	2.1
143.01874	7.2
145.02843	4.5
145.04926	2.7
146.99626	2.9
147.04395	10.7
149.97141	1.6
150.00768	2.9
156.03296	2.5
158.08096	17.0
158.99673	1.9
159.95729	1.7
160.95421	1.5
161.01349	2.6
161.02930	25.3
162.04131	10.9
163.03886	40.2
164.04269	3.1
173.02916	5.7
174.04364	5.9
175.04442	2.0
176.09152	51.5
177.00650	2.6
179.03662	1.9
184.04718	2.0
184.06067	13.7
186.04327	9.2
191.03937	5.7
202.07101	20.8
203.03972	3.5
204.05421	8.3
205.00175	2.8
219.01715	1.7
220.08163	3.5
223.01173	3.0
237.02798	1.9
244.08240	3.6
245.04544	2.6
246.83755	1.4
254.07019	2.0
262.04224	8.2
262.09064	2.6
262.14261	4.1
262.16623	8.0
263.05853	11.0
263.08673	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	262.107
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
57.03426	0.3
65.03925	0.5
71.04971	0.5
71.17390	0.3
71.17728	0.5
81.03384	0.2
91.05472	7.8
95.05003	0.3
98.06040	0.5
118.06533	0.3
119.04932	26.7
120.05327	0.3
121.06476	0.3
142.05089	0.2
146.05986	0.4
147.04396	100.0
148.04732	1.2
161.36801	0.2
175.56131	0.2
177.27299	0.2
188.07140	0.4
216.10173	1.5
244.09660	0.3
262.10724	23.2
263.11041	0.4
283.65598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2161
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
58.06594	3.8
67.05480	1.2
69.07053	0.6
70.36743	0.8
70.37132	1.0
78.83924	0.5
79.05478	0.6
81.07034	1.9
81.71527	0.4
84.08122	0.9
85.06517	2.0
91.05472	0.7
93.07014	2.7
95.08578	2.7
96.08116	2.7
97.06501	0.7
105.07028	2.8
107.08583	4.9
108.08128	0.6
109.06475	0.8
109.10149	1.3
110.09657	0.7
119.08576	2.2
121.10108	2.2
122.09649	1.1
123.08043	0.6
131.08521	1.7
133.10104	1.3
133.33603	0.5
135.08022	0.8
135.11665	0.6
136.11092	0.5
145.10075	2.9
147.11740	2.5
147.12738	0.5
149.13194	2.4
150.12744	0.9
157.10072	0.7
159.11664	0.9
161.13237	1.5
164.14310	0.9
171.11630	1.0
178.15939	2.7
185.13249	0.7
187.14798	4.6
199.14798	0.6
203.17953	3.3
204.17422	1.3
205.15831	0.8
227.17924	1.9
242.51248	0.4
244.20570	24.1
245.18910	2.7
262.14310	2.1
262.21628	100.0
263.08237	0.9
263.21957	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	7.5
56.96564	51.2
59.83640	4.7
61.02894	5.7
65.03946	11.6
65.90955	4.7
66.05878	5.4
67.05501	33.1
68.05797	5.6
69.03430	6.9
70.02235	13.1
70.02623	10.8
73.02906	7.1
83.04970	13.9
85.02876	12.8
93.03388	11.9
95.04959	11.5
97.02878	12.6
98.20806	7.6
98.97543	13.4
101.00860	16.7
103.02326	13.3
111.04394	7.2
112.02880	8.8
113.00858	7.9
113.76357	5.8
116.01269	20.9
116.98554	6.3
119.01891	43.1
121.02793	8.4
125.01801	17.0
127.81995	5.5
131.01884	29.3
136.05739	5.4
139.03909	9.6
143.01871	40.6
145.03357	5.6
149.03012	5.5
155.01859	17.4
157.03380	6.8
161.02927	100.0
169.01744	14.5
173.02933	46.4
183.05061	7.2
185.02803	10.8
187.02769	11.9
191.03973	26.0
197.02962	6.1
203.02173	5.7
203.04012	17.2
213.00563	10.2
221.04982	6.8
231.01816	13.7
245.05006	13.0
263.01501	21.2
263.03711	13.8
263.06131	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	Trixol
Peak:m/z	Relative Intensity
54.55087	1.3
55.01854	2.7
55.05511	1.8
62.52288	1.4
67.05487	4.6
67.86665	1.6
69.03421	9.5
70.77630	5.0
79.05478	5.9
81.07050	5.8
83.04990	1.9
85.02904	3.0
90.53274	1.6
91.05492	7.6
93.07030	3.4
95.04967	4.0
95.08587	2.1
97.02872	3.8
97.06508	10.3
105.07019	11.0
107.08591	14.7
109.02858	4.2
109.06495	6.5
111.04445	7.9
113.02365	4.2
115.05412	2.6
117.06999	3.1
119.08580	10.4
121.06519	3.9
123.04406	8.5
123.08041	4.4
128.06206	2.9
129.06989	4.4
131.08534	5.1
133.06483	5.1
135.08043	100.0
137.05969	4.3
139.03853	1.9
141.07011	3.0
142.07745	5.6
143.08530	9.7
144.09242	1.9
145.06503	3.8
145.10126	3.7
146.07190	2.1
147.08041	4.9
149.05986	3.7
149.09616	2.7
154.07643	1.6
156.09302	9.5
157.10097	10.4
158.07271	2.7
159.08043	8.8
159.11653	8.1
160.08775	2.4
161.05948	3.5
161.09637	6.6
163.07468	3.7
169.06596	2.2
169.10158	2.0
171.08095	3.2
171.11682	8.7
172.08797	5.0
173.09622	8.2
174.06763	2.3
175.07472	3.2
175.11174	3.2
181.10114	4.4
184.08821	4.8
185.09563	4.7
187.11168	31.9
188.08321	3.1
189.09070	2.6
189.12689	3.2
199.07658	2.0
199.11189	17.5
203.10649	38.4
209.09612	3.7
212.08292	3.6
215.10646	23.7
217.12215	19.8
227.10641	15.1
230.09047	1.8
233.11722	17.0
245.11722	56.7
263.12769	16.2
263.15329	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	263.1276
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
51.64014	1.8
55.01868	5.0
55.05500	4.6
56.96548	8.0
57.03420	3.3
67.05480	9.0
69.03418	9.7
71.04963	2.0
71.57458	3.3
79.05478	8.8
81.03385	3.5
81.07034	16.0
83.04977	20.3
85.02898	16.5
91.05471	10.6
93.07019	12.0
95.04966	9.8
95.08583	7.3
103.05419	2.7
105.07010	17.4
107.04903	3.0
107.08581	22.3
109.02859	5.1
109.06497	6.9
109.10130	6.0
111.04424	3.0
113.02357	38.7
115.05423	6.6
117.07016	5.5
118.96757	1.9
119.04943	4.8
119.08600	9.6
121.06481	4.7
121.10126	5.8
123.04413	4.3
123.08031	6.9
123.11670	6.3
125.05956	3.2
128.06239	4.4
129.06963	6.7
131.08542	5.2
133.06476	14.9
133.10095	7.4
134.07848	1.9
135.04451	2.3
135.08034	25.9
135.11627	2.6
138.18408	2.0
142.07780	7.3
143.08536	7.6
145.06465	5.5
145.10127	3.3
147.08022	7.9
147.11667	5.3
149.09625	11.5
151.07533	3.0
151.11176	20.0
155.08533	3.6
156.09325	18.6
157.06413	2.2
157.10103	8.5
158.07268	2.6
159.08043	9.4
159.11667	6.8
160.08875	2.9
161.05977	25.6
161.09618	8.7
161.13300	3.2
163.07527	9.4
169.06514	3.4
171.08003	3.9
171.11658	14.4
172.08864	2.0
173.09592	5.6
173.13249	3.6
174.10378	4.9
175.07562	15.3
175.11156	22.4
177.12723	4.7
179.07028	8.3
181.10094	3.3
184.08768	9.9
185.09592	5.9
186.10245	2.8
187.07480	3.6
187.11166	7.8
188.08334	5.9
189.05394	10.6
189.09114	3.8
189.12764	13.5
193.08493	5.1
199.11168	34.3
201.12688	4.0
202.09856	5.5
203.10667	28.6
207.06505	6.9
207.40385	2.0
209.09583	5.8
211.07399	2.2
212.08255	10.5
215.10745	3.9
217.12210	34.9
227.10651	34.8
230.09410	3.7
231.75249	2.1
233.11768	3.5
235.13197	2.5
237.07990	8.1
245.11716	87.4
246.11990	2.3
248.55646	2.0
253.07402	2.5
255.08995	6.6
263.12769	100.0
264.13092	2.0
281.07056	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	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
50.90185	1.1
53.96469	1.4
55.01859	2.6
55.05489	3.0
62.98774	1.2
65.03916	1.8
66.70258	1.3
67.05504	6.2
69.03424	7.0
69.07057	1.9
70.06586	1.8
70.08956	2.5
70.09360	5.4
75.24142	1.1
79.05495	8.7
81.03387	2.0
81.07051	9.7
83.04960	2.5
85.02888	5.5
87.04456	2.6
91.05461	14.9
93.07044	6.4
95.04945	5.7
95.08596	3.4
97.02864	3.5
97.06530	12.0
98.20839	1.5
105.07022	12.4
107.04974	2.8
107.08595	12.3
109.02851	4.3
109.06519	4.2
111.04433	7.9
113.02364	3.3
115.05450	4.0
117.06995	6.5
119.04922	4.0
119.08572	12.3
120.05260	1.2
121.06472	5.5
123.04405	9.0
123.08051	5.0
128.06201	5.2
129.06960	4.2
131.08545	7.2
133.06491	4.3
133.10091	3.3
133.83292	1.2
135.08040	100.0
137.05969	4.1
139.07568	2.1
141.06967	3.6
142.07753	5.7
143.08554	8.4
144.09312	1.8
145.06459	4.8
145.10101	3.6
146.07272	2.0
147.04376	4.8
147.08026	7.3
147.11708	1.7
148.04720	6.1
149.05963	1.7
149.09572	2.9
151.07445	2.3
153.06911	2.0
153.12442	1.3
155.08591	3.2
156.09338	8.7
157.06499	2.0
157.10118	6.8
158.07373	1.8
159.08035	9.6
159.11693	9.1
160.08786	2.2
161.02910	4.1
161.05939	3.4
161.09607	3.3
163.07541	5.4
165.09113	3.2
166.07700	3.1
171.08029	4.5
171.11636	7.7
172.08806	6.4
173.09613	8.1
173.13303	2.0
173.94691	1.2
175.07504	3.4
175.11176	5.4
179.07033	2.6
181.10109	4.1
183.11852	1.4
184.08813	6.5
185.09549	6.3
187.07622	2.2
187.11154	24.6
188.08289	3.1
189.09061	2.8
189.12727	4.9
197.09607	2.1
199.07495	2.6
199.11162	20.0
202.09871	1.8
203.07025	1.2
203.10640	35.1
205.08562	2.4
209.09558	1.7
212.08286	4.4
215.10661	18.0
217.08646	2.0
217.12201	20.9
227.10606	17.1
233.11699	13.8
235.13179	1.3
245.11711	47.2
263.12885	17.1
264.13144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
53.03934	3.0
53.75497	1.8
55.01854	4.7
55.05495	3.1
57.03403	2.7
57.07059	2.6
62.12089	2.2
65.03931	2.0
67.05480	7.5
68.99769	3.8
69.03419	10.4
69.74529	5.9
69.74944	8.6
70.06561	2.3
71.04949	2.6
79.05474	7.1
81.03407	2.7
81.07048	15.0
83.04967	22.6
85.02904	21.1
91.05470	14.1
93.07023	7.3
94.06564	4.2
94.86774	2.5
95.04955	11.4
95.08595	5.8
97.02872	4.8
97.06503	2.9
103.05475	3.1
105.07025	29.3
107.04928	4.5
107.08588	18.7
109.02861	4.4
109.06483	14.7
109.10136	2.9
113.02353	40.2
115.05438	5.3
117.06990	5.8
119.04922	5.3
119.08589	12.1
121.06488	8.8
121.10120	3.8
123.04371	3.3
123.08047	9.6
123.11675	4.9
124.07527	2.2
128.06194	4.9
129.06976	8.0
131.03450	2.6
131.08549	8.7
133.06483	18.8
133.10109	8.9
135.08038	34.9
137.05960	4.3
137.09579	2.8
141.06946	3.6
142.07756	5.9
143.08514	11.1
145.06438	5.2
145.10106	6.7
147.04385	3.2
147.08032	8.5
147.11649	5.9
149.05954	3.0
149.09596	14.7
151.07527	4.0
151.11189	23.5
155.08525	4.5
156.09351	19.0
157.06464	5.3
157.10103	9.2
159.08038	7.1
159.11676	7.0
160.05168	4.5
160.08839	5.4
161.05965	26.7
161.09616	8.2
163.07515	9.2
165.05492	3.8
165.06870	2.9
166.07744	4.8
169.06412	3.9
171.11684	13.2
173.09572	6.1
174.10341	5.3
175.07529	19.8
175.11137	29.1
177.05563	2.4
177.09024	4.5
177.12648	3.0
179.07004	9.6
181.10031	4.7
183.08041	3.7
184.08859	12.7
185.09590	6.9
187.07513	9.4
187.11163	9.1
188.08325	5.0
189.05458	8.9
189.12750	13.9
193.08559	9.5
199.11142	33.4
202.09877	8.4
203.10646	28.8
205.08603	4.3
207.06519	8.0
209.09595	5.2
212.08301	12.1
215.06979	2.4
215.10703	3.4
217.08684	3.1
217.12228	39.4
227.10648	38.8
230.09364	2.3
235.13326	3.4
245.11697	100.0
248.39323	2.2
263.05460	4.8
263.08875	4.5
263.09631	4.9
263.12775	93.6
263.15668	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	Carmenin
Peak:m/z	Relative Intensity
51.15179	2.3
55.01853	5.2
55.05497	6.1
65.03918	3.4
67.05501	10.2
68.99776	5.9
69.03413	5.2
69.07063	4.4
69.48421	6.7
69.48830	10.5
70.06580	32.7
70.95832	2.9
72.96324	2.6
79.05466	23.3
81.07038	7.6
83.04962	21.2
85.02905	2.5
85.06498	2.4
91.05455	40.3
92.05781	2.7
93.06518	3.5
93.07024	22.4
95.04976	7.4
95.08606	14.0
97.02894	4.8
97.06479	4.2
103.05409	12.4
105.06287	4.6
105.07008	93.7
107.04967	4.7
107.08576	65.6
107.45966	2.2
109.06492	12.4
109.10122	3.1
110.13044	2.4
111.04426	5.1
115.05423	5.8
116.07068	65.4
117.06987	3.1
119.04935	24.8
119.05717	3.5
119.06049	2.5
119.08546	12.3
120.05251	18.5
120.08086	91.1
121.06512	4.7
121.10089	3.3
123.04386	3.5
123.08047	9.4
125.05966	3.1
128.06204	2.5
129.06999	8.7
131.08563	8.4
133.06473	75.1
133.10094	9.1
135.08020	47.5
135.08983	4.0
137.05939	7.2
141.06973	4.4
142.07782	5.3
143.08546	10.1
145.10086	4.3
147.04402	46.1
147.08041	5.1
147.11668	6.1
148.04718	58.1
151.07524	19.6
156.09326	10.9
157.07561	3.1
157.10092	10.1
159.08041	5.7
161.02876	3.2
161.05959	63.6
161.09639	6.7
161.13214	4.3
163.07486	3.1
171.08055	2.7
171.11650	12.7
173.13240	5.2
175.07535	5.9
175.11189	6.3
179.06996	100.0
184.08748	5.0
185.09555	4.0
187.07510	3.5
187.11182	3.9
189.12695	8.4
199.11143	11.4
203.08661	3.9
203.10590	20.6
217.12196	50.7
219.13786	9.3
227.10646	7.5
235.13187	3.4
245.04474	3.8
245.09222	3.2
245.11642	54.3
263.05194	6.5
263.10785	10.2
263.12967	23.1
263.16470	5.0
263.20151	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	263.1276
Annotation	Arglanin
Peak:m/z	Relative Intensity
53.03955	2.0
55.01858	3.2
55.05493	5.5
67.05489	7.3
69.03414	6.4
70.78970	3.1
71.04997	2.0
79.05474	5.3
81.03432	1.6
81.07048	4.1
83.04980	2.5
85.02900	2.5
91.05477	11.1
93.07027	6.0
95.04945	15.9
95.08595	14.9
97.02876	2.5
97.06519	29.5
99.04453	3.4
105.07016	10.6
107.04918	2.1
107.08571	5.3
109.06496	6.7
111.04440	4.6
115.05417	2.3
117.06998	4.7
119.04940	2.6
119.08550	11.5
121.06503	6.1
121.10123	3.2
123.04417	17.0
123.08055	100.0
125.05964	2.6
128.06227	2.8
129.06990	4.8
131.08543	5.6
133.06500	2.8
133.10117	4.9
135.08043	26.9
137.05968	5.1
137.09651	2.4
139.07539	2.8
142.07742	5.9
143.08562	5.6
145.06506	3.8
145.10091	4.0
147.08032	7.7
147.11641	2.7
149.05965	4.2
149.09586	1.9
156.09351	5.1
157.10156	9.2
159.08081	9.4
159.11691	6.1
160.08855	3.7
161.05984	6.4
161.09605	8.8
163.07516	6.8
165.09100	97.7
167.07062	4.1
171.08029	2.0
171.11678	4.6
173.09624	5.1
173.13176	3.3
175.07529	3.8
175.11151	10.0
177.09073	2.5
179.07039	1.9
181.10193	1.7
184.08795	5.6
185.09596	7.6
187.07503	3.6
187.11143	6.7
188.08229	2.2
189.05312	1.7
189.12717	3.8
199.11166	16.1
201.12767	2.0
203.10703	12.3
205.08536	21.1
212.08246	1.8
215.10703	6.3
217.12198	7.3
221.11792	2.6
227.10619	5.5
233.11737	7.1
245.11710	10.1
263.05389	3.0
263.10001	2.7
263.12769	30.1
264.41327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
53.03938	1.0
55.01860	0.8
55.05496	2.1
55.05753	0.4
57.07080	3.4
59.04987	1.6
67.05482	2.2
69.03409	1.5
69.07059	1.4
70.19898	1.5
70.20322	1.0
71.04992	0.9
79.05490	3.3
81.03398	0.7
81.07048	6.6
83.04551	0.5
83.04986	5.8
85.06535	2.0
88.07619	1.4
91.05470	6.0
93.07038	4.4
95.04958	5.1
95.08603	2.8
97.06525	3.1
99.04436	0.6
105.07018	9.7
107.04935	0.8
107.08579	6.1
109.06494	3.4
109.10127	1.5
111.04469	2.7
115.05431	0.8
117.07004	2.9
119.08569	13.1
121.06493	3.5
121.10097	2.7
123.08037	2.0
123.11732	0.5
125.06004	0.9
128.06190	2.7
129.06989	1.7
130.07829	0.5
131.08575	2.1
133.06468	1.3
133.10129	9.8
135.08038	8.3
135.11649	0.8
136.08768	0.6
137.05977	0.9
137.09561	2.9
141.06923	0.6
142.07716	0.9
143.08534	4.7
145.06509	3.1
145.10109	2.1
146.07243	1.9
147.06917	0.9
147.08034	12.2
147.11659	1.4
147.31480	0.5
149.09595	1.7
151.07475	0.8
156.09364	0.6
157.10101	3.2
159.08040	1.7
159.11702	5.4
160.08794	0.7
161.05957	0.8
161.09608	11.7
161.13245	1.0
163.07567	3.4
163.11169	1.0
165.09154	0.6
170.10924	1.4
171.08060	1.0
171.11717	0.8
173.09676	0.6
173.13251	1.2
175.07510	0.8
175.11151	1.4
175.14754	1.7
177.09100	1.8
179.10661	2.2
185.09608	0.7
185.13258	2.9
187.11154	1.2
189.09093	7.8
189.12694	1.4
190.09775	0.8
199.14838	1.1
201.12737	1.0
203.10576	0.8
203.14317	4.9
207.10161	8.3
215.21954	1.9
217.12451	0.7
217.15903	0.9
221.13293	0.5
227.14302	2.0
235.13228	0.5
241.47398	0.5
245.15340	5.6
263.16397	100.0
263.23972	5.6
264.16794	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	263.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01857	9.0
55.05261	2.9
55.05507	49.6
57.03426	2.3
57.07078	2.9
67.05483	10.7
69.03427	3.2
69.07055	4.4
71.04980	2.5
79.05482	13.0
81.07048	38.1
83.04970	5.4
83.08613	100.0
87.11308	2.5
90.07355	2.3
91.05474	19.6
93.07034	22.0
94.04208	4.7
95.04945	11.1
95.08594	13.8
97.06518	11.1
98.20597	4.0
102.85623	2.4
105.07002	13.9
107.04916	2.9
107.08578	44.8
109.06509	90.4
109.10183	3.1
111.08061	17.5
113.05984	2.7
113.09621	5.3
117.06998	3.4
119.04961	4.5
119.08566	8.3
121.06534	2.7
121.10116	7.7
123.08027	12.6
125.09608	12.0
133.10117	7.5
135.11681	4.9
137.05946	22.9
137.09705	3.0
139.11160	24.7
145.10112	7.7
147.08067	3.6
149.09644	3.1
151.15854	2.4
153.09087	11.6
157.10149	2.9
159.11711	13.6
161.09563	6.5
161.13232	2.9
171.11720	2.3
177.12692	5.4
179.14307	3.1
181.12251	13.4
185.13245	6.5
187.11171	9.3
203.14285	10.6
205.12202	14.1
221.15378	19.2
229.17319	3.2
230.85463	3.1
245.15372	4.2
247.11681	2.7
263.05588	4.4
263.08109	17.2
263.14584	10.0
263.16626	8.5
263.19708	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.51310	0.7
53.03942	1.3
55.01867	1.4
55.05504	15.8
56.76597	0.7
57.03426	1.1
57.07063	13.3
57.09624	0.7
65.03938	2.9
67.05495	85.9
69.07061	16.9
69.20396	9.2
71.04970	1.8
71.08632	5.8
71.46100	0.8
79.05482	20.9
79.37597	0.7
81.07046	100.0
82.66200	0.7
83.04958	1.9
83.08607	14.5
85.06530	4.3
85.10191	2.4
91.05463	16.5
93.07033	21.5
95.04964	2.2
95.08592	80.1
96.08958	1.0
97.06523	6.7
97.10161	6.1
99.08083	6.0
103.68207	0.8
105.07009	12.6
107.08573	14.4
109.06538	0.9
109.10139	44.4
111.08070	5.8
111.11720	1.2
113.09626	2.7
114.06420	0.7
118.77355	0.8
119.08566	11.1
121.10117	16.5
123.08072	2.8
123.11694	14.0
125.09601	1.2
133.10104	14.7
135.11678	9.2
137.09567	1.9
137.13266	5.9
140.22736	0.7
141.12688	1.0
147.11658	9.6
149.13254	7.8
151.11235	1.3
151.14827	6.5
157.10114	0.9
159.11818	1.3
161.13235	8.7
163.14807	6.5
165.16356	8.1
169.67590	0.8
175.14763	6.1
177.16364	1.9
179.17972	2.9
181.15865	1.2
184.06731	0.7
185.43234	0.8
189.16383	3.0
191.03297	0.7
191.17882	0.7
203.17986	1.2
217.19534	1.6
221.89128	0.9
245.22610	25.5
263.08273	2.7
263.23663	48.7
264.24030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
55.01854	2.8
55.05484	3.9
57.03414	1.3
57.07067	9.0
59.04972	4.2
65.03913	3.0
67.05492	7.0
68.99767	4.2
69.03416	8.8
69.07067	2.4
70.28954	2.2
70.29354	2.9
70.35902	1.1
71.04991	1.6
73.44715	1.1
79.05486	9.6
81.07049	8.2
83.04966	12.4
83.08584	3.3
85.02879	3.4
91.05471	14.5
93.03383	3.7
93.07027	17.8
95.04931	7.0
95.08593	6.3
97.02835	2.5
97.06518	10.6
97.39160	1.2
103.05448	2.8
105.07021	14.9
107.04932	2.5
107.08575	28.2
109.02840	2.4
109.06497	27.9
109.10135	4.6
111.04449	6.8
111.08063	9.2
113.02353	2.4
113.05968	1.7
115.05447	3.9
117.06991	16.2
119.08559	23.4
120.08099	2.2
121.02844	3.4
121.06493	28.3
121.10123	8.2
122.07172	2.0
123.04426	4.2
123.08044	4.5
125.05928	1.6
125.09637	8.2
128.06168	1.3
129.07045	2.2
131.08566	6.3
133.06485	2.0
133.10095	5.0
135.04416	2.1
135.08035	49.1
135.11670	9.1
137.05937	2.5
137.09608	3.5
139.03865	4.9
139.07535	2.8
142.07716	1.7
143.08557	2.9
144.09312	2.4
145.06477	13.7
145.10088	5.6
147.08063	8.5
149.05959	7.4
149.09595	4.8
151.07532	16.2
153.09096	11.5
157.10089	2.2
158.10928	2.0
159.07980	3.8
159.11664	9.9
161.09595	4.4
163.07532	43.1
163.11154	4.5
164.07861	1.5
165.09096	3.8
167.06953	1.3
170.10840	2.5
172.08832	4.4
173.05939	3.5
173.09584	2.0
173.13278	7.1
177.09087	1.5
177.12733	9.4
181.05061	1.6
181.08571	27.5
186.10313	2.8
187.11168	13.4
189.09076	2.3
191.07036	8.3
201.12778	10.2
205.12228	16.0
207.10161	1.8
209.08063	37.9
219.13669	6.3
229.12196	7.8
247.13269	10.7
254.97408	1.3
263.27399	1.2
265.14310	100.0
266.14642	2.9
267.24829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
55.05513	10.9
56.96536	12.1
67.05499	21.3
68.99770	13.2
69.03408	21.6
70.67854	23.4
79.05475	13.3
81.07020	9.9
83.04974	49.7
83.58113	8.7
91.05447	11.2
93.07028	16.0
94.82999	12.0
95.04911	15.2
97.02866	29.8
98.97597	11.9
105.07024	15.4
107.08576	37.9
109.02808	11.9
109.06491	16.6
111.04422	37.0
111.08060	15.2
113.06005	22.5
117.07045	13.8
119.08563	27.3
121.06497	40.8
123.08109	17.2
125.40252	9.3
128.98636	10.0
130.48445	10.5
131.08502	13.4
135.08040	64.2
145.10046	10.6
149.09596	13.0
151.64079	9.1
153.09146	14.0
159.11652	23.9
163.07501	75.7
163.11069	11.4
165.09004	14.1
172.08823	15.2
173.13194	26.5
186.10381	10.5
187.11166	54.1
189.51735	13.2
191.07005	25.6
201.12747	45.1
205.12190	22.3
219.13716	18.7
229.12271	36.9
230.03404	11.5
247.13293	100.0
257.04495	16.5
265.14307	30.2
287.05435	83.6
288.05646	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
55.01874	3.7
55.05496	15.7
57.07066	6.6
67.05476	14.6
69.03428	30.5
69.07052	4.9
69.52386	31.0
71.04990	7.9
73.83017	3.2
79.05483	17.5
81.07040	19.9
83.04507	5.9
83.04972	50.9
83.08595	5.4
85.06509	3.9
91.05472	24.1
93.07026	28.6
95.04955	20.0
95.08585	17.5
97.02869	5.4
97.06495	6.5
103.03940	21.6
103.05442	4.3
105.07008	24.1
107.04948	9.3
107.08584	38.6
109.06497	50.2
109.10114	9.1
111.04389	3.7
111.08067	6.0
113.05988	3.8
115.05402	6.6
117.06995	16.5
119.08582	25.9
121.06501	29.0
121.10131	37.9
122.07172	4.2
123.08029	10.7
125.06014	3.8
125.09636	34.5
129.06992	8.8
131.08540	19.2
133.10170	16.7
135.08044	60.5
135.11668	36.2
137.06021	6.0
137.09587	9.7
139.07494	4.5
143.08496	6.3
144.09344	11.7
145.06464	14.9
145.10118	41.3
147.08052	12.5
149.05989	27.0
149.09621	57.8
149.13127	3.8
155.07005	15.7
157.10078	5.0
158.10892	11.5
159.08038	10.1
159.11664	41.3
161.09583	11.1
161.13219	8.2
163.07526	21.0
163.11169	87.8
167.07057	13.1
172.08820	8.0
173.06003	4.7
173.09592	6.9
173.13252	37.8
175.11122	5.0
177.12697	21.0
181.04941	4.2
181.08571	48.7
181.12119	3.6
183.11656	8.0
186.10397	5.6
187.11172	100.0
191.07018	9.6
191.10590	3.5
201.12730	89.8
202.12984	3.3
205.08588	3.8
205.12218	65.1
207.10159	3.9
219.13783	15.7
221.15343	13.9
229.12195	62.6
235.13263	10.6
247.13264	60.4
247.17021	4.3
265.14331	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1431
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
51.75884	1.1
53.15308	1.1
55.01858	3.3
55.05502	2.6
56.22027	1.1
56.96550	3.2
57.07073	7.0
59.04977	3.3
65.03938	1.8
67.05484	6.9
68.99789	2.8
69.03414	5.3
69.07036	3.4
71.54101	2.3
79.05466	8.6
81.07046	7.0
83.04980	9.5
83.08607	2.4
91.05460	10.3
93.03405	2.2
93.07027	10.6
95.04938	3.5
95.08591	7.9
97.06498	6.5
98.97550	1.2
103.05463	1.2
105.07008	7.5
107.04916	2.5
107.08571	16.9
109.06505	16.1
109.10157	5.1
111.04432	2.9
111.08055	8.0
113.02318	1.8
115.05431	2.6
117.07005	7.5
119.04897	1.3
119.08545	14.6
121.02844	1.8
121.06490	18.3
121.10129	6.1
122.07180	1.8
123.04425	2.5
123.08042	4.6
125.09630	2.4
127.09033	1.1
128.06201	1.4
131.08594	7.3
133.06459	1.6
133.10103	3.4
135.08035	31.8
135.11620	6.8
137.05959	2.0
137.09595	2.2
139.03882	4.6
139.07489	2.7
143.08536	2.1
144.09349	1.6
145.06462	8.6
145.10097	4.1
147.08041	5.1
149.05957	5.7
149.09634	3.0
151.07507	12.0
152.06157	2.0
153.07016	1.8
153.09050	8.0
155.08536	1.5
157.10114	1.7
158.10966	1.7
159.08046	3.2
159.11656	6.0
161.09581	4.8
163.03903	3.7
163.07523	26.5
163.11179	4.1
165.06966	12.6
165.09149	1.7
166.07779	10.0
167.07111	1.7
172.08794	2.3
173.05983	2.8
173.13243	5.5
175.07570	1.4
176.06229	2.7
177.00774	1.7
177.06979	7.1
177.12703	4.4
178.07773	2.2
181.06577	2.3
181.08578	16.4
181.09993	2.0
183.11717	2.2
186.10411	2.8
187.11172	9.3
189.09102	2.0
191.06985	6.0
191.08534	2.3
193.06471	3.3
194.07253	25.5
201.12753	5.4
205.06473	14.7
205.08305	1.9
205.12209	11.2
206.07195	2.5
207.10080	2.0
209.06029	3.0
209.07994	24.0
209.09592	2.0
219.08044	1.9
219.10214	1.3
219.13757	3.3
221.05910	6.3
222.06761	21.0
229.12250	5.0
233.05963	4.6
234.06635	2.8
235.07523	1.9
237.09076	23.9
239.09486	5.8
247.13312	7.1
250.06261	17.0
251.06807	1.6
257.10553	4.1
262.11185	1.2
265.08572	100.0
265.14313	64.9
265.17801	2.4
265.25351	1.7
266.09009	6.7
266.14676	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	265.1431
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
53.03940	3.5
55.01855	3.1
55.05496	8.7
57.01788	1.1
57.07066	6.0
59.04733	1.2
59.04994	5.8
65.03947	3.3
67.05488	12.2
68.59325	1.0
68.99784	2.8
69.03423	14.7
69.07063	3.9
71.04961	1.7
71.53335	1.6
79.05475	9.8
81.07043	9.4
83.04971	53.7
83.08607	2.1
85.06528	4.2
91.05468	19.5
93.03391	1.8
93.07032	17.1
95.04948	13.4
95.08578	8.9
97.02881	4.0
97.06509	4.5
105.07016	16.7
107.04958	4.0
107.08581	37.7
109.02875	6.4
109.06496	12.3
109.10140	8.6
111.04431	42.3
111.08056	12.2
113.02332	1.6
113.05994	28.2
115.05439	5.2
117.06999	12.5
119.08569	23.6
121.06496	28.5
121.10116	7.4
122.07195	2.3
123.04400	1.5
123.08041	15.6
125.05958	4.2
125.09616	7.2
127.07588	1.6
128.06224	2.4
129.06976	2.9
131.08548	11.0
133.06447	2.0
133.10100	6.4
135.04439	1.9
135.08032	75.8
135.11644	5.1
137.05962	3.8
137.09601	10.1
139.03923	1.4
139.07535	4.1
141.07054	1.5
142.07727	1.8
143.08577	5.7
144.09358	3.8
145.06439	12.3
145.10104	7.3
147.08063	6.3
147.11572	1.6
149.05956	8.4
149.09595	16.1
151.07530	5.5
151.11104	1.9
153.05536	1.2
153.09077	19.0
155.08594	4.0
155.10645	2.2
157.10066	1.7
158.10902	5.8
159.08014	8.2
159.11670	18.3
160.08784	6.1
161.09566	9.1
161.13338	1.6
163.03932	1.5
163.07521	61.1
163.11165	11.4
165.09123	8.9
168.09267	1.6
169.10040	2.3
170.10930	2.2
171.08070	3.4
172.08801	10.5
173.05954	2.5
173.09612	7.2
173.13252	14.9
175.07581	1.4
177.09100	1.3
177.12756	4.6
181.08592	2.0
183.11671	4.2
185.13246	3.4
186.10374	7.9
187.11154	31.0
189.09122	2.9
191.07008	17.2
191.14253	1.8
193.10149	1.6
196.08864	3.0
201.12723	29.6
203.14369	2.4
205.12199	14.6
207.10036	2.1
209.07993	8.6
211.11183	5.7
214.09850	1.7
219.13768	17.4
222.06810	1.5
222.30394	1.5
229.10316	0.9
229.12206	36.2
247.13263	100.0
248.13629	1.6
258.51266	1.4
265.14294	27.7
265.24991	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	265.1431
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
55.01861	5.7
55.05503	16.9
65.03924	11.1
67.05489	26.7
69.03423	36.6
69.07056	5.2
71.04980	9.0
71.17549	8.4
72.08128	6.0
79.05489	21.1
81.07050	24.0
83.04975	8.6
91.05466	56.5
93.07032	48.8
95.04963	45.1
95.08601	27.6
97.02875	7.8
97.06511	9.3
99.04448	12.0
103.05420	3.6
105.07014	79.1
107.04961	9.9
107.08572	32.4
108.40998	3.4
109.06512	31.4
109.10143	4.8
111.04415	26.5
111.08078	9.7
113.05971	23.7
115.05441	9.4
116.06218	6.7
117.07001	21.4
119.08568	100.0
121.02863	11.6
121.06483	49.8
121.10117	13.8
123.04419	3.7
123.08035	27.7
125.05952	4.1
128.06219	10.5
129.06967	17.6
130.07764	4.6
131.08553	42.9
132.05739	3.9
133.06438	6.7
133.10104	21.3
135.08032	83.0
137.09587	9.5
139.03900	12.5
139.07494	6.5
141.06992	10.9
142.07788	10.2
143.08549	16.6
144.05711	6.2
144.09329	12.6
145.06461	14.7
145.10103	30.0
146.07268	4.4
147.08034	42.8
147.11659	17.9
149.06010	4.8
149.09586	11.3
151.07591	3.6
153.09135	4.5
154.07716	5.5
155.08534	12.1
156.09346	5.1
157.06400	6.7
157.10068	21.5
158.07256	23.3
158.10957	5.2
159.08014	42.4
159.11673	40.7
160.08818	6.1
161.05986	5.7
161.09631	40.8
161.13245	6.9
163.07530	5.7
165.09109	36.7
168.09341	6.0
169.10088	5.0
171.08014	8.0
171.11702	11.5
172.08786	19.6
173.09665	21.4
173.13223	23.1
175.07526	77.1
175.11140	36.0
177.05563	3.5
181.06493	4.6
183.11649	13.3
185.09587	7.5
186.10458	4.9
187.11159	44.7
189.09088	11.7
189.12743	13.4
193.08574	19.8
193.10129	7.6
196.08836	10.6
199.11177	16.1
201.12758	38.2
203.10646	45.0
205.12283	5.9
211.11095	22.8
217.12228	24.4
219.13750	11.3
221.11475	3.8
229.12250	28.8
235.13326	7.3
237.05542	4.7
247.13290	45.0
265.14276	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
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
53.03935	5.8
55.05507	12.7
59.18510	3.3
65.03923	8.0
67.05505	30.1
69.03432	45.6
69.07062	8.7
69.90319	19.8
71.04976	11.3
79.05474	21.4
81.07050	22.4
83.04969	8.1
85.06470	4.0
91.05473	57.8
93.03384	9.5
93.07041	41.5
95.04958	46.3
95.08594	23.7
97.02875	5.6
97.06516	7.7
98.97533	3.5
99.04448	4.8
105.07027	78.6
107.04929	4.8
107.08596	21.8
109.06508	28.8
109.10139	6.7
111.04433	29.5
111.08076	6.8
113.06005	14.6
115.05427	5.8
116.06300	5.0
117.07020	22.1
119.04920	3.8
119.08579	100.0
121.02873	16.8
121.06502	54.0
121.10137	16.1
123.08064	29.0
125.05941	5.0
128.06174	8.9
129.06975	15.4
130.07799	5.8
131.08565	40.2
133.06482	12.9
133.10112	19.0
135.08038	84.7
137.09612	12.0
139.03897	10.4
139.07547	6.7
141.06981	15.2
142.07761	12.2
143.08577	22.8
144.05743	5.9
144.09344	12.9
145.06471	11.1
145.10118	31.2
147.08034	42.4
147.11693	17.1
149.06131	4.2
149.09596	12.8
153.06985	5.5
154.07880	5.6
155.08533	13.6
156.09322	5.7
157.06584	4.8
157.10118	25.8
157.73325	4.4
158.07251	21.5
159.08023	41.0
159.11687	34.8
161.09637	39.4
163.07468	4.4
165.09122	30.6
168.09352	10.3
169.10089	6.1
171.08057	6.7
171.11702	14.3
172.08810	19.5
173.09557	19.6
173.13281	23.3
175.07532	77.8
175.11168	37.6
183.11696	12.3
185.09599	9.6
186.10355	7.5
187.11165	40.6
189.09056	8.4
189.12773	17.4
193.08609	18.6
193.10097	4.6
196.08742	5.6
199.11195	17.1
201.12749	40.3
203.10632	50.1
205.12234	6.8
211.11171	24.9
217.12236	20.2
219.13835	16.7
229.12254	30.5
233.30817	4.5
235.13179	6.1
237.05539	6.1
247.13336	51.9
265.14313	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
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
53.03925	7.1
55.05494	10.9
64.11748	3.2
65.03932	8.5
67.05499	29.9
68.76576	3.3
69.03413	35.0
69.07070	5.2
71.04992	12.4
71.08667	8.4
77.44608	3.5
79.05474	22.5
81.07062	23.7
83.04966	11.9
85.02904	3.4
85.06579	3.9
91.05477	54.4
93.03389	5.5
93.07043	38.7
95.04963	48.3
95.08593	25.2
97.02866	5.1
97.06519	10.0
99.04463	8.8
103.05447	6.7
105.07018	79.5
107.04952	5.5
107.08595	24.8
109.02853	4.3
109.06522	43.8
109.10155	4.6
111.04443	31.1
111.08071	11.9
113.05984	15.1
115.05439	7.3
116.06258	5.0
117.07019	20.8
119.08572	100.0
121.02834	17.1
121.06483	43.7
121.10167	19.7
123.08051	28.4
128.06189	9.5
129.06984	24.0
130.07816	6.7
131.08551	49.1
133.06465	13.7
133.10104	27.7
135.04485	3.5
135.07063	6.5
135.08040	85.1
137.05908	4.3
137.09613	12.9
139.03857	14.4
139.07526	9.4
141.06985	10.8
142.07790	12.9
143.08543	20.6
144.05739	3.9
144.09294	13.6
145.06483	20.6
145.10094	37.4
146.07262	5.8
147.08031	50.7
147.11667	17.9
149.09608	15.1
151.07442	3.9
153.06937	5.6
153.09103	7.7
154.07768	5.3
155.08543	7.4
156.09288	6.2
157.06479	4.2
157.10104	24.4
158.07272	31.7
159.08040	46.7
159.11682	50.2
160.08789	7.0
161.05989	8.1
161.09636	43.7
161.13264	8.0
165.09087	37.3
168.09369	7.8
169.10129	6.8
171.08018	8.1
171.11667	10.6
172.08806	23.2
173.09607	23.8
173.13263	23.7
175.07524	70.3
175.11145	47.3
177.09366	4.2
181.06479	6.2
181.10217	3.2
183.11682	14.7
185.09567	5.6
186.10341	6.3
187.11200	39.3
187.74565	3.5
189.09076	13.8
189.12718	15.0
193.08597	25.7
193.10095	5.0
196.08830	10.7
199.11191	22.0
201.12717	36.7
203.10664	46.0
205.12126	7.6
211.11150	22.7
217.12228	24.0
219.13771	11.1
229.12241	35.3
235.13383	8.2
247.13297	46.2
265.14316	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Actinolide A
Peak:m/z	Relative Intensity
52.87712	0.7
53.03932	1.0
54.13536	0.6
55.01865	3.2
55.05502	3.6
56.94207	0.6
56.96565	1.1
57.07068	1.7
67.05498	6.1
69.03423	1.8
69.07056	6.4
71.04985	100.0
71.08637	2.0
71.52903	0.7
71.53363	1.0
79.05486	4.3
81.03437	1.1
81.07054	7.5
83.04960	2.3
83.08617	2.0
85.06535	1.9
91.05483	2.6
93.07042	7.2
95.04960	3.0
95.08591	6.6
97.06532	1.7
97.10154	1.2
98.80289	0.6
99.04443	52.7
99.08099	1.2
101.02365	0.8
105.06993	4.0
107.04942	2.0
107.08577	7.6
109.06522	4.2
109.10139	4.8
111.04432	1.7
111.08052	0.9
113.02351	0.8
115.13875	0.6
117.05505	4.9
117.07013	2.5
119.08562	3.0
119.92888	0.7
121.06487	2.0
121.10128	4.9
123.08070	2.4
123.11713	2.2
125.05958	0.7
127.07553	0.7
131.08565	2.7
133.06491	0.8
133.10115	1.3
135.08041	5.8
135.11644	1.5
137.09593	1.0
137.13232	1.1
139.07501	0.8
145.06496	1.2
145.10088	4.0
147.17223	0.6
148.08824	0.8
149.09616	5.6
149.13185	1.0
159.11697	2.1
161.09596	1.4
161.13277	0.8
163.07538	1.2
163.11142	1.9
163.14830	1.7
167.14310	1.3
168.01027	0.7
173.09659	2.1
177.09081	0.7
177.12746	0.9
177.16420	0.8
179.14302	2.5
187.14737	1.3
191.07253	0.8
191.10596	1.7
201.16446	0.7
205.08554	1.6
205.15855	24.2
209.11670	1.5
219.13902	0.8
223.91284	0.9
229.12312	0.8
247.13271	1.0
247.16953	1.7
265.06589	0.8
265.14435	3.9
265.17953	42.4
265.25256	1.6
266.17896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67458	0.1
58.79937	0.1
71.52625	0.1
76.10925	0.1
82.99444	0.1
82.99860	0.2
83.88322	0.1
101.00864	1.9
119.01899	10.3
120.01993	0.2
121.01604	0.1
122.97755	0.1
134.99869	0.7
137.02934	3.0
140.98804	0.3
142.03458	0.3
153.00905	0.4
158.99841	1.2
165.99667	0.3
175.03030	0.3
177.00919	21.2
178.00999	0.8
179.01250	0.2
181.02167	0.1
182.99750	0.6
185.26118	0.1
193.04048	0.4
195.02019	0.3
200.02527	0.3
201.00871	1.1
201.02504	0.2
217.04054	3.2
218.03802	0.1
219.01964	25.4
220.02094	1.4
221.01996	0.3
224.24245	0.1
225.00812	2.3
226.01050	0.1
234.00690	0.2
237.03044	0.2
240.05505	0.2
242.03543	0.5
243.01929	8.2
244.02080	0.3
260.04495	0.2
261.03009	100.0
262.03143	3.5
263.03375	0.5
266.03494	0.4
275.04498	0.3
284.04660	4.1
285.04816	0.2
289.06543	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03935	4.1
55.01878	1.5
55.05501	7.3
57.03432	19.5
57.74622	0.7
58.10086	0.8
65.70190	0.6
67.05493	10.4
69.03432	2.0
69.07057	2.5
70.78680	2.2
71.04993	2.5
79.05482	11.8
81.03407	100.0
81.07047	12.3
83.04967	5.6
83.08607	15.4
91.05468	16.7
93.07032	6.8
95.04954	21.8
95.08596	4.1
97.02857	2.3
97.10165	2.0
105.07015	11.7
105.07658	0.8
107.04948	3.5
107.08596	2.6
109.06506	2.0
109.10175	2.2
111.04414	1.2
111.08064	4.6
115.05420	1.2
117.06999	1.2
119.08559	11.4
121.06477	1.3
121.10114	4.4
123.08026	1.9
129.06984	8.0
131.08556	7.0
133.06493	2.4
133.10156	3.6
133.10962	0.6
137.09578	1.2
141.91916	0.8
142.07767	2.6
147.08029	2.3
147.11649	7.0
149.09604	4.1
157.10112	10.1
163.11139	1.0
165.12814	1.9
173.98022	0.6
175.11150	8.3
193.12219	18.4
211.13277	2.2
249.14886	1.2
267.15878	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.36689	0.7
53.03937	4.7
55.01872	1.5
55.05509	7.7
57.03429	19.8
67.05502	12.4
69.03413	1.7
69.07060	2.9
69.83992	4.5
71.04984	1.4
79.05484	13.5
81.03408	100.0
81.07048	14.8
83.04973	4.7
83.08616	12.4
87.90459	0.6
91.05471	17.7
93.07043	9.0
93.10085	0.7
95.04958	21.0
95.05542	1.5
95.08617	5.2
97.02872	1.8
97.06528	2.0
97.10172	1.9
104.93878	0.7
105.07021	13.9
105.15135	0.8
107.04932	4.7
107.08591	4.3
109.06505	3.4
109.10155	1.3
111.04437	0.9
111.08062	6.3
115.05434	1.2
117.06991	1.6
119.04895	0.8
119.08565	11.3
121.06488	1.9
121.10123	4.5
123.08087	1.3
124.92542	0.8
125.09528	0.8
129.06995	8.8
131.08549	8.4
133.06479	2.9
133.10127	4.8
135.08076	0.8
137.09628	1.6
142.07759	1.9
145.10147	1.4
147.08051	2.6
147.11685	7.2
149.09662	4.3
149.65457	0.6
157.08916	0.9
157.10124	8.8
165.12790	2.4
175.11163	7.3
193.12209	18.2
194.42720	0.7
205.12296	0.7
211.13255	1.9
236.22559	0.8
249.14806	1.0
265.33994	0.7
267.15891	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03947	3.7
55.01868	1.8
55.05506	7.0
57.03430	17.1
67.05496	12.0
69.03413	1.9
69.07068	2.5
69.33214	7.9
71.04971	1.9
79.05482	12.9
81.03409	100.0
81.07046	12.5
83.04967	6.7
83.08607	13.7
87.27490	0.8
91.05473	18.1
93.07039	7.8
94.24429	0.8
95.04958	20.6
95.08583	5.2
97.02898	1.9
97.06503	1.3
97.10189	1.7
100.70538	0.9
105.07018	13.5
107.04934	5.3
107.08580	2.4
109.05865	0.7
109.06534	3.2
109.10121	1.3
111.04416	1.4
111.08089	5.4
117.07008	1.2
119.04932	1.4
119.08569	11.1
121.06499	1.7
121.10146	5.0
123.08091	1.9
123.11669	1.3
129.06976	7.9
131.08554	7.0
133.06483	2.4
133.10112	3.0
137.09624	1.8
142.07758	3.2
147.08014	2.8
147.11653	7.0
149.09599	4.2
157.10100	8.2
165.12772	1.9
175.11188	5.9
193.08417	0.9
193.12222	15.9
211.13313	2.3
228.67021	0.8
249.14877	1.3
267.15894	37.0
268.15918	0.9
273.93033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03950	5.3
55.01852	2.4
55.05502	5.2
56.43160	0.8
57.03430	19.7
59.71430	0.7
67.05497	12.1
69.03400	2.8
69.07036	2.5
69.49677	1.5
69.50082	5.8
71.04980	2.0
76.51256	0.7
78.49915	1.0
79.05473	12.9
80.75165	0.8
81.03406	100.0
81.07043	11.8
83.04976	5.0
83.08599	14.3
91.05467	15.1
93.07032	8.1
95.04960	23.1
95.08585	3.5
97.02893	2.7
97.06536	1.7
97.10162	1.7
98.20815	1.6
105.07017	11.3
107.04939	4.7
107.08585	3.0
109.06494	3.0
109.10138	1.3
111.08070	6.3
115.05456	1.4
117.06964	1.1
119.04901	1.1
119.08568	14.2
121.06495	1.2
121.10146	5.0
123.08031	1.4
126.04798	0.8
129.06995	6.9
131.08549	6.1
133.06491	2.3
133.10097	3.5
137.09570	1.9
142.07777	2.7
145.10112	1.3
147.08031	2.0
147.11691	8.7
149.09610	3.4
157.10112	10.0
163.11214	0.9
165.12769	2.5
175.11145	8.5
181.84709	0.8
193.12228	19.9
194.48480	0.7
197.66801	0.8
211.13329	2.2
249.14723	1.6
267.15875	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.80395	0.2
55.01867	0.3
57.03426	0.6
59.80659	0.2
61.02917	0.2
67.05508	0.2
69.03426	0.4
69.55381	0.3
69.55787	0.8
71.01353	0.2
73.02911	0.3
76.72675	0.2
85.02889	0.6
94.04058	0.4
97.02889	0.3
101.73193	0.2
119.03542	1.0
135.05446	0.1
136.06171	100.0
137.04581	0.4
137.06619	0.4
145.51720	0.1
153.69438	0.1
268.10364	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	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.33884	0.2
55.01866	0.3
57.03430	0.4
64.69413	0.2
69.03432	0.2
71.01321	0.2
71.05141	0.5
86.30901	0.2
94.04032	0.3
119.03516	0.9
129.26721	0.2
136.06168	100.0
137.04527	0.5
137.06496	0.7
268.10373	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	268.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01564	2.1
60.49055	1.8
69.03408	2.4
69.73109	11.5
92.37502	1.8
94.93036	2.3
115.02415	2.8
119.01895	6.7
126.60512	1.7
131.01883	8.2
136.93980	6.5
143.01831	2.9
145.03403	6.0
155.01924	3.6
157.03400	2.6
161.02943	7.7
162.95531	5.3
173.02959	4.0
185.02969	4.8
204.64529	1.9
213.00130	1.9
221.05144	2.6
227.04013	3.1
239.04045	4.5
266.66602	2.0
268.98230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28434	3.6
52.74042	3.4
55.01854	5.8
55.05503	20.8
57.03429	41.8
57.07064	5.7
62.34608	3.4
67.05498	81.5
67.88342	4.8
69.07064	37.7
71.04982	5.9
79.05488	53.4
81.07049	100.0
83.04975	7.4
83.08606	19.2
85.06507	11.0
91.05460	24.8
93.07027	82.3
95.04944	13.5
95.08589	32.8
97.06531	22.3
104.20984	3.9
105.07025	9.0
106.72250	4.9
107.08589	40.1
109.06485	3.9
111.00806	8.0
111.08059	11.4
117.06956	6.0
121.10128	27.1
131.08549	15.5
133.10130	13.7
133.36758	3.7
135.11664	8.5
139.00243	6.0
143.08488	4.4
149.12181	5.6
149.13248	49.9
150.55846	4.2
157.01317	8.3
157.10072	5.0
159.11650	21.8
177.12779	5.6
195.13792	10.8
229.17284	4.7
269.08154	27.0
269.10788	5.1
269.17264	29.8
271.28403	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	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.24646	2.2
50.52045	2.0
53.03921	3.4
55.05500	18.6
57.03426	32.1
57.07056	4.1
61.07556	2.0
67.05494	74.9
69.07060	29.2
71.04980	4.5
72.21712	2.2
79.05480	42.0
81.07045	100.0
83.04964	9.4
83.08602	21.3
91.05478	21.5
93.07030	77.7
95.04943	5.8
95.08597	26.0
97.06542	10.8
97.10107	3.9
98.20710	7.1
99.08110	3.6
105.07015	8.3
107.07932	3.7
107.08583	34.2
109.06507	2.5
109.10139	4.6
111.08072	7.3
117.06985	8.1
121.10120	22.3
131.08516	7.9
133.10124	7.0
135.11670	11.9
139.11168	4.6
139.84126	2.5
149.13246	50.9
159.11670	25.8
177.12735	10.0
181.75299	2.2
195.13788	14.2
204.14514	2.2
213.14764	2.3
227.94345	2.2
253.04771	3.2
269.08057	22.9
269.17441	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02376	1.5
53.03928	4.2
55.01853	3.6
55.05502	23.7
55.17402	1.4
57.03427	38.1
57.07059	5.6
64.58407	1.2
65.03915	2.5
67.05493	80.7
69.03422	2.4
69.06702	2.5
69.07057	35.6
69.92791	8.1
71.04976	7.9
71.08614	1.5
76.61469	1.4
79.05482	53.9
80.32800	1.2
81.03407	3.8
81.07044	100.0
83.04966	10.7
83.08609	24.3
85.06546	5.2
91.05467	23.6
93.07030	73.7
95.04929	7.6
95.08021	2.4
95.08591	29.7
97.06514	16.4
99.08092	4.8
103.36441	1.6
105.07006	13.1
107.04929	2.4
107.07837	2.3
107.08573	40.7
109.06536	2.7
109.09513	1.3
109.10104	6.5
111.08067	12.6
117.07001	8.2
118.04076	1.6
119.08561	4.5
121.06499	3.3
121.10121	23.7
123.08075	1.4
123.11671	3.0
129.06912	2.7
131.08528	10.1
133.10133	9.1
135.08025	3.6
135.11679	12.5
139.11148	3.6
142.07837	1.6
143.08568	3.4
145.10066	3.0
147.04333	1.3
147.11772	1.9
149.13240	56.7
150.13628	1.6
151.11191	3.2
157.10118	2.2
159.11678	25.4
167.14305	1.5
177.12692	11.5
183.11716	2.1
185.13284	1.8
195.13779	13.0
197.13295	2.6
213.09122	1.9
226.06248	2.1
237.05568	2.1
254.05800	2.2
269.08029	26.6
269.12698	1.5
269.17303	35.9
269.22559	3.6
270.08200	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.82725	1.5
53.03939	3.3
55.01851	3.5
55.05505	20.1
57.03428	30.3
57.07064	5.5
65.03915	2.0
67.05496	70.5
67.05859	3.5
69.07059	29.9
69.42495	1.5
71.04979	6.2
71.08620	1.8
79.05483	42.4
81.03401	2.8
81.07045	100.0
83.04969	9.7
83.08600	17.4
85.06536	4.9
91.05468	23.0
93.07034	58.4
95.04939	8.1
95.08598	28.1
95.09157	3.2
97.06512	17.0
98.21437	3.4
99.08074	3.8
105.07034	10.5
107.08580	31.9
109.06503	3.6
109.10146	7.1
111.08064	9.7
117.06998	6.2
118.04124	2.8
119.08582	4.7
121.10139	22.2
123.11704	1.9
129.06946	1.8
130.54774	1.6
131.08531	12.2
133.10107	11.6
135.08076	2.2
135.11682	9.6
139.11189	2.5
144.69814	1.8
145.01668	1.6
145.10066	2.8
147.11716	2.8
149.13234	43.2
151.11143	1.9
153.27782	1.6
157.10118	3.5
159.11713	19.2
171.11746	2.4
177.12738	7.2
184.09901	12.7
185.10721	3.4
185.13324	1.9
195.12245	2.0
195.13800	12.5
213.09012	1.8
213.14806	2.0
226.06259	2.2
237.05486	2.2
245.93854	1.5
253.05037	3.0
254.05743	2.6
264.87393	1.7
269.08081	34.5
269.17310	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1438
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05506	1.0
61.04974	0.9
67.05477	2.3
69.03423	0.9
71.57281	1.0
71.57672	1.5
81.07037	1.7
84.45860	0.8
91.05439	1.8
92.03087	0.8
95.04965	1.3
95.08546	0.8
105.06971	1.4
109.10187	1.6
118.06563	1.5
119.08572	1.0
120.08115	1.3
133.10117	1.9
144.08038	1.0
157.10152	1.4
158.05927	1.2
159.09169	1.4
168.08069	7.4
169.08792	2.7
182.09683	3.0
183.10391	10.4
186.05463	0.9
198.12793	7.9
199.08717	2.1
199.12311	0.8
210.09218	0.8
211.09917	1.2
212.09395	3.3
213.10202	6.9
215.15489	1.5
226.12302	9.6
227.08298	1.6
227.11763	28.2
227.13890	1.9
228.12555	19.5
240.08905	2.2
241.09724	2.4
243.14894	14.9
255.11278	54.7
256.12051	63.7
257.12213	1.4
269.12918	2.1
271.06122	10.4
271.14386	100.0
272.14713	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	272.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05493	2.2
56.96558	100.0
57.03414	5.3
57.07062	1.6
61.02920	7.7
67.05493	2.6
69.03413	12.4
69.60172	11.1
70.06569	6.2
71.01334	1.5
71.04988	1.8
71.95261	1.9
72.08143	2.3
73.02912	16.4
74.97592	7.0
75.88168	1.2
81.03387	4.5
84.04470	2.7
84.08089	1.9
84.96011	8.0
85.02895	17.8
89.03908	8.0
90.04271	1.4
91.02353	1.5
91.03932	2.8
92.01290	1.5
92.05025	2.5
95.04950	3.5
97.02879	14.1
98.01286	1.6
98.96983	2.4
98.97572	26.4
99.04406	3.4
102.97002	1.4
104.01273	2.3
107.04913	2.1
110.01311	3.1
110.06039	33.4
110.06813	2.3
110.07169	3.8
110.97545	5.7
111.04466	2.7
112.99085	1.5
116.00220	1.8
116.98603	24.3
117.03362	5.7
118.03737	1.6
119.01805	13.1
124.99128	12.9
126.06625	6.8
127.03902	6.6
128.02328	3.4
128.98621	8.8
129.02213	1.7
131.00160	2.2
131.01730	3.4
134.99637	15.9
135.04385	12.6
136.04718	3.0
139.00597	1.7
140.02193	3.3
140.98534	1.9
141.02199	2.2
142.56271	1.3
143.00148	55.3
143.01810	2.2
144.97998	1.8
145.01712	3.4
145.02817	5.6
145.04903	2.3
146.02258	5.0
146.03275	2.4
146.99623	9.5
147.03258	8.9
147.04282	2.2
149.01170	2.4
150.99101	8.1
152.02226	2.2
152.98550	3.2
153.00677	2.6
155.02777	7.1
157.01694	3.2
158.99643	8.5
159.03316	5.1
161.01213	75.9
161.02594	3.2
162.05254	1.5
162.99120	5.9
163.02739	1.2
163.03886	33.6
164.03296	1.2
164.04245	13.5
165.00641	2.4
165.04303	3.2
166.01772	2.0
167.00114	2.8
169.00165	4.6
169.01683	5.0
170.03357	3.4
170.99648	10.5
172.95280	1.7
173.01167	3.1
173.02719	2.6
174.00754	1.8
175.02824	2.8
175.54195	2.2
177.00635	8.5
177.04155	2.2
179.02203	9.9
179.03552	1.4
182.03300	11.2
182.04720	1.7
182.53510	2.5
184.02771	3.1
185.01193	17.2
187.02771	5.5
189.00688	23.9
190.98625	1.6
191.03845	16.6
191.54079	2.9
200.04422	15.3
201.00694	5.0
202.03726	2.1
202.54695	2.5
203.02243	10.7
205.00189	1.7
207.01732	4.3
211.96387	1.7
213.00632	10.9
219.01758	8.3
221.03156	2.0
223.01230	3.3
231.01636	13.9
237.02792	6.8
248.04184	1.9
248.98978	3.6
249.02798	53.0
250.03218	2.7
261.02744	5.2
267.03836	60.9
272.04318	5.1
272.06656	3.0
272.16479	2.8
273.02802	2.0
279.03796	2.8
285.04907	19.3
290.05319	8.2
291.03644	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04660	0.6
55.01871	1.1
55.05502	1.2
59.29731	0.6
59.53912	0.5
67.01858	3.2
67.05492	5.1
68.99796	2.4
69.03423	2.2
69.07068	0.9
70.16198	2.2
71.04978	1.1
71.95221	0.5
72.93843	0.5
73.13247	0.5
79.05489	1.5
81.07045	7.8
83.08564	0.5
85.06540	1.1
87.00835	0.8
91.05475	9.3
93.07024	1.5
93.71909	0.5
95.04975	3.1
95.08595	1.1
97.02879	1.3
98.09669	0.7
105.07034	2.2
107.04965	2.8
107.05585	0.5
107.08575	0.9
109.06473	0.6
109.10157	0.9
109.80093	0.5
111.00820	0.8
111.04417	1.1
115.05434	1.2
116.01635	1.2
119.01984	0.8
119.04932	19.7
119.08575	0.9
121.06512	1.9
121.10118	0.7
123.04429	4.5
123.11728	3.1
128.06306	0.6
131.04939	0.8
131.08562	1.3
133.10152	1.6
137.02309	1.3
137.05952	1.3
141.12698	1.4
147.04395	46.8
149.05969	1.2
151.03949	1.0
151.07538	0.7
151.11165	1.5
152.06165	0.5
153.01814	100.0
153.06981	1.4
154.02115	1.3
159.04298	0.5
159.11668	0.7
161.02965	0.6
170.11766	0.6
171.02902	7.0
171.04332	0.7
176.07089	0.8
179.03395	1.1
181.06409	2.6
187.13275	0.6
189.05475	1.4
195.07938	0.6
213.09128	0.6
214.14606	0.5
217.01578	1.3
227.03490	1.3
231.06657	1.0
241.08455	1.2
245.04466	1.5
255.02844	0.8
255.06444	3.0
256.13333	1.5
273.04050	8.7
273.07526	77.9
274.04645	1.9
274.07907	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01866	0.3
55.05513	0.3
65.03928	0.8
67.01864	2.1
67.05483	1.2
68.99777	1.8
69.03419	2.0
69.07047	0.4
71.10807	0.8
79.05476	0.8
80.74520	0.3
81.07044	2.0
83.01332	0.5
85.18986	0.4
91.04889	0.4
91.05467	7.9
93.07043	0.9
95.04966	2.6
95.08598	1.3
97.02882	1.4
105.07024	0.5
107.04915	2.7
109.10139	0.6
111.00809	0.8
111.26170	0.3
116.98627	0.6
118.30706	0.4
119.04933	18.5
121.06463	1.3
121.07256	0.3
121.10127	0.9
123.04414	4.0
127.03880	0.4
127.31501	0.4
133.02904	0.4
133.10193	0.4
147.04398	44.6
147.11655	0.4
148.04774	0.7
149.05945	1.0
151.03931	0.9
151.07501	0.9
152.06172	0.4
153.01814	100.0
153.06976	1.4
154.02168	1.4
171.02861	3.5
179.03398	1.0
181.06476	1.5
185.09619	0.4
189.05444	0.6
195.08029	0.4
199.11275	0.3
209.92245	0.3
213.09109	0.9
219.92366	0.4
241.08478	0.7
252.79100	0.3
255.06403	0.6
255.17400	0.6
273.07553	62.9
273.21939	0.7
274.07816	0.9
280.21744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05498	1.2
56.96549	0.7
57.07060	1.3
67.01854	2.6
67.05486	2.3
68.99787	1.5
69.03413	2.5
69.07056	2.1
79.05474	1.9
81.03391	0.8
81.07053	4.1
83.01310	0.7
83.08585	1.2
91.05470	10.0
93.07041	1.8
94.44838	0.5
95.04959	2.7
95.08573	2.6
97.02879	1.9
97.06501	0.6
98.97556	1.1
105.07043	3.2
107.04935	2.4
107.08572	2.0
109.06503	1.6
109.10133	1.6
114.59962	0.6
116.98642	0.7
119.04927	17.6
119.08552	2.9
121.06515	1.0
121.10129	1.8
123.04408	5.4
123.11713	1.2
128.06226	0.7
129.06927	1.0
131.08548	1.9
133.06490	1.1
133.10118	1.6
135.08034	1.4
135.11697	1.3
137.05952	1.1
143.08549	2.1
145.10130	1.9
147.04391	43.2
147.11661	2.2
149.05920	0.9
151.03976	1.0
153.01808	100.0
154.02150	0.7
156.09320	1.4
157.10075	2.0
159.07951	0.7
159.11687	1.2
161.09547	0.6
161.13264	0.6
171.01553	0.8
171.02835	3.8
171.08188	0.7
171.11694	2.3
173.13199	1.1
175.11165	1.1
175.14951	0.7
177.06830	0.5
179.03430	0.8
181.10188	0.7
182.10994	0.9
183.11607	0.6
185.13162	0.7
189.05385	1.2
189.12775	1.2
197.13245	2.3
199.11166	0.9
211.14891	0.8
212.15503	0.8
213.12866	0.7
213.16402	1.8
214.64752	0.7
229.29012	0.7
255.06552	1.1
255.17453	3.4
273.07544	79.3
273.14804	1.6
273.18494	6.2
273.21396	1.0
273.25928	1.4
274.07855	2.3
278.65250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05513	0.3
65.03928	0.8
67.01864	2.1
67.05483	1.2
68.99777	1.8
69.03419	2.0
69.07047	0.4
71.10807	0.8
79.05476	0.8
80.74520	0.3
81.07044	2.0
83.01332	0.5
85.18986	0.4
91.04889	0.4
91.05467	7.9
93.07043	0.9
95.04966	2.6
95.08598	1.3
97.02882	1.4
105.07024	0.5
107.04915	2.7
109.10139	0.6
111.00809	0.8
111.26170	0.3
116.98627	0.6
118.30706	0.4
119.04933	18.5
121.06463	1.3
121.07256	0.3
121.10127	0.9
123.04414	4.0
127.03880	0.4
127.31501	0.4
133.02904	0.4
133.10193	0.4
147.04398	44.6
147.11655	0.4
148.04774	0.7
149.05945	1.0
151.03931	0.9
151.07501	0.9
152.06172	0.4
153.01814	100.0
153.06976	1.4
154.02168	1.4
171.02861	3.5
179.03398	1.0
181.06476	1.5
185.09619	0.4
189.05444	0.6
195.08029	0.4
199.11275	0.3
209.92245	0.3
213.09109	0.9
219.92366	0.4
241.08478	0.7
252.79100	0.3
255.06403	0.6
255.17400	0.6
273.07553	62.9
273.21939	0.7
274.07816	0.9
280.21744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01867	0.3
59.20510	0.3
65.03920	0.5
67.01859	6.0
67.05483	0.4
68.99782	3.2
69.03423	1.7
69.54272	0.8
69.54696	1.5
71.04968	0.3
74.99773	0.3
79.05520	0.3
81.03414	0.7
81.07047	0.6
83.01311	0.5
85.02911	0.4
91.04945	0.4
91.05479	6.1
91.06049	0.4
93.07056	0.4
94.08560	0.2
95.04948	2.2
95.08572	0.3
97.02887	1.3
98.20645	0.3
103.05479	0.4
105.07031	0.3
107.04944	3.0
107.08526	0.3
111.00784	0.5
111.04392	0.5
111.75021	0.3
114.75430	0.2
118.11468	0.3
119.04933	14.8
120.05224	0.3
121.02865	0.5
121.06499	2.3
123.04417	3.9
125.02326	0.5
127.03937	0.6
129.01834	0.6
129.07027	0.4
136.28145	0.3
137.05971	0.7
138.45845	0.2
147.04396	37.1
148.04749	0.5
149.05972	2.3
151.03915	0.6
151.07556	1.7
151.08585	0.3
152.06184	0.9
153.01811	100.0
153.06946	3.5
154.02162	1.4
161.02887	0.3
161.05984	0.5
163.07521	0.5
167.08675	0.4
170.07248	0.7
171.02875	18.4
177.09035	0.4
179.03375	1.2
181.06456	4.8
185.09586	0.3
189.05437	1.0
195.07976	0.6
197.05956	0.4
198.06709	0.7
209.05891	1.0
213.09100	2.4
226.06165	0.3
231.06560	0.8
241.08543	3.5
255.06490	0.6
255.10344	0.3
273.07553	63.4
274.07919	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	273.1119
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.26401	2.4
55.05485	2.3
56.96549	6.2
60.75368	2.1
61.31612	2.5
65.03921	4.0
67.05494	4.5
68.99785	3.1
69.03395	5.9
69.07065	3.1
69.22963	27.0
70.06564	3.2
79.05475	4.0
81.07037	2.2
83.04958	9.3
85.02882	3.9
89.03915	2.5
91.05463	9.9
95.04966	8.7
98.97623	3.3
99.00794	9.9
99.04432	3.4
103.05476	4.4
107.04925	4.5
111.04436	12.1
115.88757	2.5
116.98633	2.7
119.04909	5.1
121.06498	25.1
123.04412	35.5
129.05405	4.4
131.04930	5.1
134.03607	7.2
135.04495	4.9
136.05223	2.5
137.05968	10.8
139.03928	3.5
145.06479	3.1
147.04437	6.0
149.05965	50.1
150.06718	2.7
151.03786	2.8
151.07529	31.1
152.06204	22.0
153.01811	2.9
153.06969	87.3
154.76587	2.6
157.06477	3.0
163.03886	6.3
163.07425	3.2
165.06929	4.0
167.08490	5.3
169.06464	8.8
170.07224	10.5
180.05615	5.6
181.06467	100.0
182.07129	5.5
185.09743	3.5
195.08028	17.5
197.05917	5.7
198.06744	16.8
199.07567	5.9
209.05949	17.6
210.06831	2.8
213.09085	60.7
213.10997	4.9
223.07520	6.9
226.06041	5.3
227.07042	5.9
227.10606	3.2
241.08551	61.7
242.09285	8.0
255.06516	4.5
273.04007	3.8
273.07629	11.5
273.11166	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	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03935	4.7
55.05490	9.1
65.03937	5.6
67.05492	16.2
69.07048	7.7
71.56665	3.8
79.05471	11.7
81.07040	31.6
83.04961	21.7
91.05465	22.6
93.07029	28.6
95.05012	5.3
95.08587	29.9
105.07005	46.4
107.08589	31.5
109.02855	6.4
109.06512	9.8
109.10146	5.9
111.04425	18.1
117.06982	15.4
117.72615	3.9
119.08566	44.8
121.06509	6.5
121.10135	16.2
123.04428	4.9
123.11678	6.8
128.06190	9.3
129.06947	9.8
131.08553	23.0
133.06468	5.4
133.10101	79.2
135.08076	4.1
135.11682	17.8
137.05931	11.5
137.48441	4.0
142.07700	4.5
143.08543	34.3
144.09346	6.3
145.10088	45.5
146.10846	5.4
147.11646	11.4
149.09668	4.6
149.13242	5.6
153.01842	6.7
156.09315	9.0
157.10132	16.4
159.11670	66.3
161.09599	4.5
161.13248	17.8
171.11714	30.6
173.13237	43.4
174.14020	39.8
175.14771	13.2
185.13359	11.3
194.85455	4.4
199.11171	12.1
199.14822	31.4
213.12733	8.6
217.12129	10.9
227.14366	6.8
227.17828	32.2
255.17499	23.2
273.03906	5.0
273.07565	6.1
273.16171	4.6
273.18515	100.0
273.21570	7.3
273.29837	4.9
274.27441	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	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03926	4.6
55.05509	13.8
56.96539	1.9
57.07060	2.0
58.47879	1.5
62.96327	1.8
65.03938	2.3
67.05493	15.7
69.07058	10.0
69.68147	8.6
69.68559	3.9
71.04993	2.4
71.49264	1.6
74.99394	1.9
79.05475	11.5
79.64356	1.9
81.07047	17.8
83.04971	22.3
83.08607	3.1
91.05468	20.4
93.07030	24.0
95.04954	7.6
95.08593	35.3
95.09162	3.0
97.06534	2.0
99.04428	4.9
103.05491	2.2
105.07017	48.2
107.08591	26.9
109.02849	10.3
109.06497	6.1
109.10137	10.1
111.04438	12.5
111.08041	1.9
113.05997	7.9
115.05436	3.4
117.07008	12.8
119.08570	53.1
121.06503	3.8
121.10137	10.1
123.08078	3.4
123.11710	2.0
128.06216	5.6
129.07005	8.5
130.07790	3.5
131.08551	28.8
132.09340	5.2
133.10115	71.0
135.08090	2.2
135.11676	23.7
137.05981	10.9
139.07501	3.7
142.02132	1.9
142.07753	6.9
143.08543	32.6
144.09343	6.8
145.10101	56.4
146.10901	2.5
147.08051	6.0
147.11674	9.2
149.13292	2.0
151.07475	2.9
155.08559	2.9
156.09320	7.7
157.10121	20.3
158.10876	5.7
159.11674	76.6
160.12383	1.9
161.09604	5.5
161.13231	17.7
165.09117	3.3
169.10130	5.8
170.10866	3.6
171.11655	31.9
173.09676	3.0
173.13245	54.3
174.14018	59.8
175.14790	14.3
179.10710	2.8
180.09401	1.9
183.11688	3.0
184.08792	2.2
185.09624	7.9
185.13254	14.1
196.45937	1.6
197.13179	3.7
199.11148	13.3
199.14801	34.6
203.10684	3.2
211.11186	2.1
213.12766	4.9
213.16312	2.0
217.12180	11.1
221.06456	2.4
227.14258	6.1
227.17917	25.5
237.16463	2.8
243.11668	3.6
255.17427	18.7
258.14066	3.5
273.12570	3.5
273.18497	100.0
273.29871	3.6
274.27408	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.70789	1.1
54.84044	1.6
55.05493	4.9
57.07053	1.9
59.04990	2.0
59.13138	1.2
63.19390	1.1
63.95263	1.4
67.04923	1.2
67.05497	6.4
69.03428	1.1
69.07053	3.7
69.28893	1.1
71.04981	3.6
71.30912	2.2
79.05478	8.4
81.07047	8.5
81.31364	1.2
83.04944	3.2
83.08595	1.7
83.66347	1.2
85.06525	7.0
91.05460	10.0
93.07029	9.6
95.04955	24.7
95.08571	7.6
97.06502	2.2
105.07011	19.2
107.04903	1.4
107.08582	12.2
109.06497	27.6
109.10133	10.2
111.08063	4.8
115.05424	1.2
117.06995	5.4
119.08570	27.9
121.06474	3.2
121.10137	7.7
122.07184	1.4
123.08054	28.9
123.11651	3.9
128.06195	2.0
129.07019	6.3
130.07755	4.1
131.08543	19.4
133.10107	13.3
135.08015	6.7
135.11649	1.9
137.09596	6.4
141.06938	3.1
142.07744	9.6
143.08534	12.7
144.09338	2.0
145.06500	1.9
145.09007	2.7
145.10109	40.9
147.08035	7.3
147.11655	16.3
149.09589	3.8
149.13194	1.8
151.07585	3.1
151.11156	4.1
153.06975	1.6
155.08490	3.7
156.09297	13.8
157.10100	30.1
158.10902	5.6
159.08047	4.0
159.11684	13.0
161.09605	5.5
161.13245	3.9
163.11145	3.4
165.09056	1.4
167.08534	2.9
169.10118	6.5
170.10927	2.0
171.08073	1.9
171.11671	23.7
172.12422	2.7
173.09628	13.3
173.13248	29.5
174.10394	2.8
175.11159	14.2
177.12755	2.1
179.10622	1.8
181.10085	2.8
182.10884	6.8
183.11682	3.2
184.12486	1.7
185.09581	2.0
185.13234	9.3
187.11159	15.7
187.14722	7.2
188.11942	1.5
189.09032	1.2
189.12714	20.9
191.14278	2.5
195.11676	4.4
196.12360	1.8
197.13222	14.5
199.11156	16.1
201.12769	3.1
203.14314	4.6
207.11630	2.7
208.12473	2.2
209.13194	1.9
211.14810	5.0
212.15549	3.9
213.12782	7.9
213.16327	14.9
214.13480	2.6
215.14281	44.9
217.12180	12.1
222.14038	1.3
225.12686	5.0
227.17941	2.4
229.15941	2.7
231.13799	1.8
231.17447	16.1
237.16414	5.9
240.15118	3.8
243.13756	2.2
245.95302	1.4
255.17419	35.1
258.16101	2.1
273.18463	100.0
274.19101	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	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05503	21.1
57.07061	10.5
67.05495	32.8
69.07063	56.1
69.62598	14.6
70.49920	2.1
72.75565	2.0
78.24612	1.7
79.05488	16.5
81.06576	3.8
81.07052	86.4
83.08595	15.7
91.05477	15.3
93.07035	48.4
95.08599	86.9
96.51612	1.9
97.10165	12.2
105.07018	32.9
107.08583	70.3
109.10144	66.3
111.11726	4.6
119.08560	32.7
121.10134	55.4
123.11694	47.6
129.06932	1.8
133.10123	21.0
135.11671	36.1
137.13242	15.3
147.11690	20.2
149.13251	56.6
151.14809	8.1
161.13243	29.8
163.14809	30.5
173.13354	2.1
175.14772	15.6
177.14958	2.7
177.16370	18.0
188.06403	2.0
189.16374	23.6
190.77153	2.2
191.17912	13.5
203.17960	19.0
208.35011	2.0
217.19490	36.2
231.21025	6.3
273.25739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25116	1.0
65.85995	1.1
67.05481	4.5
69.03400	2.3
70.53362	2.0
70.53745	2.3
82.99835	3.6
83.04967	2.8
85.01392	1.3
86.35306	1.0
93.03362	1.7
95.04940	3.7
101.00863	30.2
111.04446	1.9
115.02448	2.0
119.01904	100.0
120.02036	2.7
121.02882	7.0
127.02374	14.1
129.03952	1.7
131.01881	3.4
133.03477	1.5
135.01271	1.2
137.01956	1.6
137.02948	21.3
139.02357	1.6
139.03906	1.6
141.03935	2.6
142.03500	1.8
143.01881	4.9
143.05524	1.2
145.03442	76.6
146.03598	2.1
147.04951	1.4
151.02425	2.5
153.03943	3.5
153.53424	1.1
155.01785	1.3
157.03430	15.9
161.02980	7.6
163.04492	5.9
167.01933	2.6
168.04991	1.8
169.03444	61.2
170.03609	4.2
171.01407	2.1
171.04988	13.1
173.02937	2.4
175.04454	6.6
184.65335	1.3
185.02956	26.4
185.06476	1.9
187.04495	89.2
188.04626	3.8
189.02394	2.9
189.06099	3.1
195.05000	4.6
197.02922	17.0
203.02257	1.4
203.03995	8.6
205.05531	13.8
210.06171	2.7
211.04437	5.7
213.02382	1.4
213.06061	4.2
215.03976	18.9
221.02948	5.7
221.04907	2.5
229.05539	38.9
231.03503	2.3
239.04019	3.4
247.06616	26.7
249.04552	2.3
257.05048	5.9
275.06088	85.6
276.06281	3.5
293.07120	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	275.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45721	0.8
51.00897	0.9
53.03918	1.3
55.05500	4.7
56.96556	7.3
58.01542	0.9
58.96167	1.1
65.03930	6.2
66.33244	1.0
67.05490	5.1
69.03403	1.9
70.89074	1.9
70.89421	1.2
72.08131	1.9
81.03390	1.3
81.93063	0.8
82.99818	1.4
83.04962	7.4
83.30577	1.1
85.02885	2.6
93.03394	12.8
95.04953	13.6
97.02866	1.8
98.97557	5.3
101.00864	18.5
103.02375	1.1
105.00357	1.1
109.96127	1.0
110.72215	0.9
111.04419	6.0
113.00867	1.4
114.05493	1.1
116.98589	3.1
117.03413	1.0
117.10938	1.0
119.01902	100.0
120.02010	2.4
121.02847	37.3
123.04445	1.2
125.04488	1.0
127.02383	1.7
127.03903	1.1
131.01888	3.2
131.96101	1.1
133.03423	1.7
135.04401	2.0
137.02934	30.3
138.03008	1.5
139.03894	5.6
139.25919	1.1
141.03897	1.7
142.03496	1.9
143.00090	1.1
143.01852	1.8
145.03467	7.7
147.04881	1.6
153.03935	3.8
155.01880	3.5
157.03444	2.6
159.05022	2.2
161.01050	1.6
161.02950	3.9
163.03816	8.0
169.02000	1.5
169.03452	12.1
171.03571	1.5
171.04999	9.6
173.01134	1.0
173.02913	3.0
179.01811	1.4
183.05026	1.9
185.02911	4.8
187.02809	1.3
187.04424	10.1
189.00708	1.6
193.03468	3.4
195.04993	8.5
197.02914	17.3
203.01918	4.7
203.03931	2.3
205.05602	1.0
211.04546	9.9
213.06076	3.6
215.03955	18.1
221.02916	28.4
229.05511	5.1
233.03198	1.8
239.03952	13.6
247.06570	1.7
251.04381	1.3
257.05026	47.9
257.15015	1.8
258.05182	1.7
269.44022	1.0
275.06079	83.8
275.15836	1.9
276.06308	4.1
291.24426	0.9
293.03802	1.1
293.07211	2.7
298.07657	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	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.7
65.62823	1.4
67.05483	4.5
69.03416	3.0
69.52448	8.7
69.52856	3.6
83.04966	4.3
93.03367	2.8
95.04955	5.1
101.00868	35.6
111.04441	3.8
117.03884	1.4
119.01907	100.0
121.02814	7.3
125.04536	1.9
127.02387	17.7
129.03963	3.6
131.01863	2.8
133.03432	2.3
137.02937	18.3
143.01866	6.5
143.05524	1.6
145.03452	74.9
146.03677	2.3
151.02483	1.3
153.03902	1.5
157.03458	17.3
159.05035	2.4
161.02924	9.4
161.06555	1.9
163.04512	5.8
169.03441	57.2
171.01404	2.0
171.05005	12.0
173.02922	1.9
175.04485	4.9
183.05145	1.7
185.02942	24.7
185.06564	2.6
187.04504	72.7
188.04774	2.5
189.06015	2.1
195.04974	5.1
197.02951	12.1
203.02142	1.8
203.03926	6.7
205.05550	9.3
211.04539	3.3
213.02438	2.0
213.06041	3.5
215.03983	14.4
221.02927	2.8
229.03241	2.0
229.05548	42.1
230.05826	2.2
231.03481	2.9
239.03905	2.3
247.06621	26.4
248.06708	1.5
249.04504	3.2
257.05051	5.1
275.06097	94.6
276.06244	5.3
293.07117	16.3
294.07468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0909
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02342	0.1
53.03927	0.8
55.01867	0.2
67.01852	0.3
67.05459	0.2
71.28411	0.2
71.28727	0.2
77.03918	0.2
79.05476	0.9
81.07035	0.3
82.55180	0.1
85.02876	0.2
91.05442	0.2
93.07039	0.2
95.04951	1.0
105.04474	0.3
105.07018	0.4
106.68033	0.1
107.04936	100.0
108.05264	1.0
119.08533	0.2
121.06480	0.3
123.04402	0.5
127.03899	1.3
145.10083	0.2
149.05952	0.6
151.03886	1.4
161.39301	0.2
169.04935	10.9
181.04956	0.3
186.25766	0.1
275.09140	1.5
275.20108	0.5
297.87292	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	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.3
69.46809	4.3
69.99773	24.1
70.27961	3.7
82.99866	5.2
85.02859	6.8
97.02859	13.4
101.00867	33.2
113.00867	9.4
113.16105	4.7
119.01900	94.4
121.01623	9.9
131.01878	22.6
133.03493	5.2
137.02934	12.6
143.01852	32.2
145.03453	24.8
154.18143	3.9
155.01889	26.4
157.03461	17.6
161.02928	100.0
171.03458	4.4
171.05054	7.1
173.02933	29.9
175.04498	13.8
185.02959	32.9
187.04555	10.6
191.03922	5.6
197.02925	17.7
203.03973	11.2
215.03926	7.2
227.03966	6.6
245.05069	54.9
263.06024	10.4
277.03073	16.1
277.07770	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52708	2.8
56.96549	11.1
61.02909	4.4
65.03917	4.6
69.03421	9.1
70.72343	6.4
70.94086	3.1
73.02874	5.5
73.47372	3.3
79.05460	7.1
79.88995	3.0
81.03393	5.9
81.07030	2.8
82.99863	4.1
84.04491	4.1
84.08123	5.0
85.02901	17.1
88.75706	2.7
89.03914	5.1
95.04927	5.4
97.02868	18.1
98.97533	5.9
101.00873	35.2
103.00613	6.2
105.84258	3.2
109.02804	4.3
113.00870	6.6
115.02479	4.9
117.03360	6.8
119.01907	90.6
121.01640	22.5
121.02867	9.0
122.04034	3.4
127.02393	3.9
127.03899	7.2
131.01886	23.8
132.95761	4.0
133.03444	6.5
135.04379	9.0
137.02956	18.7
139.02628	6.3
139.03775	4.8
143.01874	30.3
144.98022	3.5
145.03494	21.5
146.99571	3.9
147.03174	9.1
149.03001	5.4
155.01855	20.2
157.01727	4.4
157.03435	17.7
161.02937	100.0
163.03827	27.4
164.04257	5.0
167.01842	5.0
169.01785	3.5
169.03391	3.8
171.03218	12.7
171.04857	3.4
173.02931	37.4
173.04657	5.1
175.02716	3.5
175.04466	13.9
179.04016	4.4
182.03311	5.9
185.02950	31.7
187.02969	4.6
187.04561	13.0
189.04214	14.4
191.03966	12.2
197.02975	15.8
199.02689	11.0
200.04422	4.9
201.05943	3.7
203.03979	11.5
215.03990	6.5
217.03850	8.3
217.05681	3.7
223.02751	4.7
231.01698	5.3
241.03551	3.6
245.05058	44.1
249.02779	12.6
259.04962	7.0
263.06015	6.6
271.06583	6.2
277.03061	8.5
277.05228	3.3
277.08023	53.0
295.08881	5.9
295.91513	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	277.2157
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02363	1.3
53.03939	5.1
55.05253	1.5
55.05506	17.5
57.07056	4.7
67.05173	2.1
67.05498	30.1
68.05818	1.0
69.06725	1.2
69.07062	15.0
69.84315	2.5
69.84725	4.9
71.04974	2.6
79.05484	71.8
81.07049	34.6
83.04950	2.5
83.08619	5.9
85.06523	3.0
91.05470	29.4
93.07033	100.0
95.04966	6.9
95.08595	26.3
97.06502	2.7
97.10159	5.6
105.04494	2.1
105.07019	15.2
107.08583	48.2
109.06519	2.5
109.10136	12.4
111.08110	1.1
113.21060	1.1
117.06987	3.8
119.08578	12.6
121.10126	41.8
123.08051	2.5
123.11677	3.8
128.06255	1.3
129.07030	1.7
129.83934	1.1
131.08524	4.2
133.10127	13.2
135.08015	1.3
135.11676	57.0
137.09613	2.2
142.07799	1.2
143.08545	3.8
145.10072	3.8
147.11665	6.5
149.09587	1.9
149.13239	21.9
151.03929	1.1
157.10080	3.9
159.11684	3.8
161.09535	1.6
161.13226	5.0
163.11230	1.3
163.14774	4.3
169.10022	2.1
171.11659	3.7
173.13231	1.9
175.11044	1.3
175.14795	2.4
177.12726	1.3
179.08466	1.8
179.10635	1.4
181.12161	1.2
183.11649	3.4
185.13168	2.3
191.08559	1.1
192.09312	2.4
193.10115	2.8
195.11717	2.9
195.13751	3.3
199.14723	2.3
205.10124	2.2
206.10887	2.4
207.11682	4.4
207.13684	2.0
213.16379	3.1
219.11594	3.8
220.12415	2.4
221.09491	1.2
221.13196	7.1
221.15250	2.4
225.67355	1.0
231.17328	1.9
233.13234	2.3
234.14001	2.9
235.11148	1.6
235.14691	4.8
235.16901	7.2
241.15712	1.1
247.05937	2.4
247.14752	2.4
248.15613	1.9
249.16357	1.7
255.83223	1.2
259.20480	3.5
262.13556	1.9
262.17062	2.3
277.10788	2.0
277.15707	10.8
277.19266	19.3
277.21628	58.5
278.16321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02370	1.1
53.03939	5.9
53.08500	0.9
55.01866	1.1
55.05268	1.1
55.05508	17.9
57.07061	3.1
65.03923	1.7
66.74191	1.0
67.05499	31.1
69.03404	1.4
69.07059	15.7
69.26601	10.9
71.04980	1.6
77.03922	1.6
78.01247	1.0
79.05486	77.9
81.07051	35.3
83.04942	1.9
83.08614	6.9
91.05473	27.9
93.07034	100.0
95.04951	7.1
95.08595	24.9
97.06522	1.4
97.10143	4.6
105.04478	2.7
105.07024	13.6
107.08587	51.3
109.06511	2.8
109.10143	10.5
111.08099	1.1
117.07011	2.4
117.42435	1.3
119.08566	8.9
121.10132	50.8
123.08070	2.5
123.11687	4.3
129.07001	2.3
131.08548	3.4
133.10118	12.4
135.08081	2.0
135.11676	49.4
140.46419	1.1
143.08507	1.6
145.10112	3.5
147.11690	9.1
149.09622	1.7
149.13248	22.5
157.10101	2.2
159.11714	3.1
161.13248	4.1
163.11180	2.3
163.14807	6.4
171.11697	1.8
173.13251	2.2
175.11191	1.7
175.14799	2.6
179.10664	1.5
181.12289	1.6
185.13240	1.7
189.12798	1.5
195.13835	2.0
198.26587	1.1
199.14830	1.8
207.13785	2.5
213.16388	1.7
221.15324	3.2
231.17346	1.3
235.16991	6.6
241.19449	1.5
259.20575	4.8
277.10782	1.8
277.18466	2.2
277.21603	63.4
278.22034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01864	1.3
55.05503	1.6
56.96293	1.6
56.96560	24.5
57.03421	3.8
57.07065	8.0
58.91167	1.0
59.11744	1.0
61.02896	3.2
65.03911	1.5
67.05474	3.7
69.03405	3.9
69.07056	1.8
70.06571	3.1
70.14153	4.3
71.01328	1.1
71.95248	2.7
73.02907	2.8
79.05483	1.6
81.03406	2.2
81.07056	2.7
83.04990	1.2
84.96043	1.9
85.02893	8.4
86.09706	1.7
89.03914	4.7
90.04187	1.3
91.05456	1.3
93.03378	2.2
95.04964	1.2
95.06075	1.6
95.08585	2.1
97.02377	0.9
97.02889	7.1
98.46865	1.0
98.97573	100.0
99.04449	2.5
99.08082	1.2
100.02463	2.0
107.04877	1.5
107.08595	1.4
109.02847	1.1
110.07144	4.7
110.97566	20.5
111.04432	1.1
112.99104	1.2
115.02392	2.7
116.07054	2.9
116.98611	86.0
117.03333	2.3
118.03545	2.2
119.01865	3.2
119.04935	1.4
120.15910	1.1
121.01617	2.1
121.02856	3.9
123.11745	1.4
127.03891	3.0
128.98592	36.6
130.04868	1.0
131.00139	1.7
131.01892	3.0
133.01602	1.3
133.03445	4.6
134.05966	1.7
134.99649	51.8
135.04340	7.5
136.04787	1.7
136.07532	1.7
137.02771	1.0
139.02574	1.2
139.03957	1.1
140.00186	2.8
141.03964	1.2
143.00139	4.5
143.01945	1.1
143.74222	1.0
145.01675	2.1
145.02711	2.1
145.03610	1.5
145.04962	1.0
145.06438	1.3
146.02243	1.1
146.98474	1.7
146.99640	31.3
147.03230	1.8
147.04399	2.8
149.01245	3.0
149.02318	65.0
152.00150	1.4
152.07005	1.3
153.00734	7.9
153.03952	3.4
155.01837	1.1
157.03484	2.4
158.01236	2.9
158.98318	2.0
158.99635	34.8
159.03247	1.4
160.06474	1.7
160.07637	1.6
161.01219	3.2
161.02948	2.7
161.04599	2.2
163.02663	2.6
163.03871	24.2
164.04230	4.4
165.00655	5.8
166.05305	1.3
169.03357	6.2
170.01289	1.7
170.05141	10.1
170.99622	12.2
171.01241	2.2
171.05013	6.7
175.54137	1.0
177.00697	88.0
178.01210	1.2
179.02054	2.0
184.55034	1.9
187.02744	1.1
187.04538	3.5
189.00700	46.1
189.02293	1.6
191.03929	1.6
192.05237	1.2
194.06717	2.0
195.01750	12.7
197.02922	9.0
197.55405	1.3
198.03093	1.1
200.02341	5.2
201.00648	3.4
201.02361	1.0
203.02191	1.0
203.57910	1.1
207.01761	26.3
212.02324	2.4
212.04138	1.2
215.03976	10.3
219.01718	7.1
219.05341	1.6
220.04503	5.4
225.02687	2.0
230.03355	1.4
231.01862	1.3
233.05035	1.3
237.02769	12.7
238.05676	7.0
251.02554	3.4
255.03862	7.5
256.02887	2.1
256.06744	7.9
261.06110	3.5
274.04089	2.1
274.07886	2.3
275.05997	5.1
276.06226	1.4
279.03815	7.7
279.07080	1.7
279.13339	2.2
288.05389	1.3
297.05148	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	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03940	1.3
55.05307	0.8
55.05509	9.7
55.64170	0.9
57.07055	3.8
65.03922	3.9
67.05497	100.0
69.07067	6.6
70.04539	4.1
71.04963	0.9
71.25623	0.9
79.05485	11.6
81.07048	95.4
82.07390	1.3
83.08613	4.5
83.46088	0.8
91.05462	2.3
93.07032	8.0
95.08595	65.3
97.10159	2.1
105.07042	2.0
107.08563	6.5
109.10141	36.4
116.38140	0.8
117.07047	1.2
119.08526	2.3
121.10144	3.8
123.11684	21.3
130.01903	0.9
131.08572	1.6
131.43108	1.0
133.10081	1.7
135.11674	4.2
137.13234	9.1
147.11620	1.2
149.02335	15.8
149.13229	1.6
151.11232	1.3
151.14847	1.3
156.11172	0.8
159.11649	1.5
161.13226	1.7
163.11147	0.9
173.13164	2.2
187.14763	1.9
188.85135	0.9
195.13756	1.8
205.15849	1.2
209.15331	2.5
223.16896	1.4
237.93735	0.9
261.22021	2.3
279.23148	24.5
280.23547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17990	0.3
52.75672	0.3
55.01856	0.7
55.13351	0.3
56.05018	0.5
57.07072	0.4
63.17975	0.3
63.23265	0.3
65.03925	0.6
69.51382	1.3
69.51809	1.2
70.06575	0.8
71.04972	0.3
79.74184	0.3
91.05468	10.3
98.06056	2.8
108.82012	0.3
111.53045	0.4
116.07082	2.7
119.04929	25.8
120.05270	0.5
122.08227	0.4
134.08107	2.2
147.04390	100.0
148.04720	1.2
149.02338	1.8
150.02664	1.9
175.27916	0.4
262.10718	6.7
280.12036	0.6
280.15231	0.3
304.41879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05505	0.3
56.96559	0.4
57.07061	0.3
65.03924	0.6
67.02970	0.2
67.05513	0.4
68.89870	0.3
69.87724	1.1
69.88138	0.4
69.90746	0.2
70.06585	0.8
72.84518	0.2
79.05515	0.3
80.01263	0.2
81.07038	0.3
85.02901	0.3
91.05473	8.9
95.08580	0.3
98.06039	1.8
98.21405	0.5
98.97584	0.7
105.07021	0.4
111.81519	0.2
116.07100	2.2
116.98589	0.7
119.04937	22.5
119.08595	0.6
120.08087	0.3
133.50890	0.2
134.08125	1.2
147.04398	100.0
148.04747	1.6
149.02354	2.2
150.02654	2.3
158.99635	0.3
165.09152	0.3
176.86502	0.2
177.00681	0.4
181.22682	0.2
207.08032	0.3
262.10745	12.1
280.06732	0.3
280.11862	0.5
291.03790	0.5
299.06223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1742
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03942	9.3
54.13679	1.7
55.01867	5.0
55.05254	3.5
55.05500	40.3
57.03426	31.4
57.97153	1.7
65.03928	4.2
67.05493	92.2
69.07056	18.3
71.04984	6.4
71.26811	5.0
73.06564	3.2
75.34248	1.9
79.05479	100.0
81.03425	14.0
81.07041	69.2
83.04963	30.5
83.08611	9.2
85.06543	4.0
91.05464	76.1
92.05785	2.1
93.07027	68.5
94.07360	2.8
95.04953	32.5
95.08585	43.8
97.06511	8.5
97.10206	2.5
105.07008	56.6
107.04944	8.2
107.08577	25.2
109.06501	11.8
109.10152	10.2
111.04346	2.2
117.06961	9.5
119.08569	29.9
121.06471	3.6
121.10143	4.3
123.08015	9.8
128.06218	3.4
129.06970	18.1
131.08540	3.5
133.10124	13.6
135.11659	2.2
137.09618	2.4
143.08559	10.1
145.10126	11.5
147.08017	2.9
147.11667	41.3
151.07497	2.1
159.11646	2.8
161.09590	4.6
161.13260	12.5
163.11122	2.3
171.11658	32.2
189.12735	8.3
207.13713	12.0
208.71207	2.1
263.16278	4.4
267.00021	2.0
281.17410	46.3
283.03046	3.4
299.06094	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03942	10.3
55.01869	6.9
55.05252	2.4
55.05507	36.9
57.03434	27.5
57.07064	6.0
65.03928	5.9
67.05496	83.3
69.03410	3.1
69.07059	19.8
71.04983	5.5
71.08626	2.6
72.93778	1.2
73.06553	2.9
79.05484	100.0
81.03412	18.1
81.07048	76.7
83.04971	39.2
83.08613	12.7
85.06534	5.7
91.05465	67.7
93.07035	75.6
95.04954	28.2
95.08595	49.8
97.02886	3.3
97.06527	7.9
97.10130	8.2
101.83999	1.5
105.04570	2.0
105.07024	54.0
107.04937	8.1
107.08575	27.1
108.88914	1.4
109.06519	7.7
109.10131	14.4
111.08053	2.6
113.09637	1.7
115.05397	2.7
117.06988	10.1
119.08572	32.2
121.06520	3.4
121.10136	5.2
123.08062	11.8
123.11683	6.5
127.07525	2.3
128.06227	3.6
129.06978	19.9
131.08546	4.2
133.10112	15.3
135.08043	2.9
135.11658	4.6
137.09552	1.8
137.13329	2.2
143.08542	12.1
145.10107	10.4
147.08044	3.7
147.11664	37.1
149.13239	2.0
151.11137	1.6
157.10138	1.6
159.11681	2.9
161.09605	5.3
161.13226	16.1
165.16606	1.5
171.11679	27.5
189.12752	10.1
190.52126	1.5
207.13779	9.5
229.24535	2.2
263.23544	2.0
281.17389	36.2
281.22446	3.5
283.02881	2.4
299.06253	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	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.3
55.01863	6.4
55.05510	37.2
55.94553	1.6
56.96561	2.2
57.03430	28.4
57.07064	6.8
65.03927	4.9
67.05498	93.5
69.03420	2.7
69.07057	21.3
69.50944	1.6
70.25991	7.6
71.04983	3.5
71.08615	4.5
73.06528	3.2
79.05486	100.0
81.03423	16.6
81.07050	82.4
83.04974	37.3
83.08615	16.2
85.02885	6.7
85.06531	5.2
91.05471	69.2
92.05781	2.6
93.07040	80.5
95.04962	28.5
95.08598	46.8
97.02882	2.6
97.06510	6.7
97.10156	10.6
101.05988	1.9
105.07024	56.6
107.04956	9.7
107.08580	28.6
109.06515	9.7
109.10139	14.9
111.08071	4.7
117.07011	9.5
119.08569	35.5
121.06498	3.3
121.10117	8.2
123.08030	7.7
123.11686	3.7
125.09630	1.8
128.06189	3.8
129.06981	18.0
131.08549	4.2
133.10147	15.0
135.08064	2.1
135.11690	3.9
137.09575	2.0
137.13229	2.3
143.08562	7.8
145.10130	9.8
147.08011	4.4
147.11673	39.1
151.02695	2.3
156.09277	1.7
159.11681	3.9
161.09630	5.5
161.13261	19.1
171.11678	25.2
180.48863	1.7
189.12711	9.6
207.13860	11.6
249.78035	2.0
280.33264	1.9
281.14578	3.5
281.17429	33.5
281.24707	2.0
283.03018	3.7
299.06140	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	281.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84275	3.7
50.85555	3.4
53.03928	9.8
55.01855	6.7
55.05500	37.3
57.03423	34.6
57.07075	6.5
66.68145	3.8
67.05155	7.5
67.05492	91.9
69.07048	12.4
70.10686	12.2
70.11086	5.8
79.05479	100.0
81.03404	13.6
81.07041	68.2
83.04967	38.0
83.08578	11.5
85.06499	3.9
91.05457	79.7
93.07025	75.4
95.04963	32.4
95.08601	45.7
97.06493	7.6
97.10165	9.4
98.20773	4.0
102.17430	3.6
105.07021	48.9
107.04928	4.8
107.08546	20.6
109.06501	7.4
109.10139	13.3
115.16959	4.1
117.06993	10.1
119.08560	31.8
123.08058	5.8
129.06982	17.9
133.10081	15.9
136.25835	4.4
143.08556	10.1
145.10034	13.1
147.11662	44.5
161.09581	5.5
161.13239	14.3
171.11681	29.6
189.12794	10.8
207.13768	13.3
246.38245	4.2
258.78711	4.2
271.03485	4.8
281.14877	9.6
281.17676	29.8
282.07690	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	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44344	1.7
55.01862	1.8
55.05494	2.3
56.96557	5.7
57.03421	5.1
61.02926	10.4
69.03427	20.1
70.06566	2.2
70.41976	3.3
70.42339	6.3
71.04977	3.1
73.02900	5.3
81.03409	7.9
85.02896	100.0
85.06531	17.9
87.04449	3.9
89.03888	2.4
91.03941	5.2
97.02889	23.9
98.97550	2.4
99.04425	5.2
106.06538	2.2
109.02856	8.5
120.20814	1.7
124.03996	2.5
127.03036	2.7
127.03906	25.2
130.08591	2.4
135.04385	5.5
135.07959	2.5
136.06174	6.4
145.04942	52.1
145.06096	2.7
145.07491	1.6
150.07753	3.1
161.07124	2.4
162.05489	3.5
163.03909	12.4
163.05975	12.2
165.07011	2.9
165.12013	2.0
168.47546	1.7
174.04340	4.2
177.00670	2.5
177.07822	3.0
178.04999	2.4
179.08131	1.9
186.04384	4.0
192.08945	2.3
201.06685	2.3
204.05452	8.2
209.05853	2.2
210.06689	2.9
219.07619	2.0
229.10658	4.9
237.05490	2.0
247.06889	2.3
252.12531	2.9
264.09756	3.1
267.99915	3.0
268.97852	1.9
282.10754	4.9
282.13553	3.7
282.22202	3.9
283.06076	3.3
300.06186	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	283.0598
Annotation	Mutisifurocoumarin
Peak:m/z	Relative Intensity
52.17033	0.8
55.01866	4.9
57.07064	1.1
67.05480	1.4
68.99773	1.5
69.24190	9.6
69.82281	0.8
71.08649	0.8
81.07064	1.1
83.04980	1.0
83.08669	0.9
89.98536	0.8
98.21495	1.5
105.03393	1.6
107.08568	1.1
107.64269	0.8
115.05442	3.5
117.06989	1.0
121.02840	4.1
128.06210	9.8
129.07004	5.2
131.04932	1.7
133.02831	2.8
133.07727	0.8
139.05394	4.4
141.07004	4.6
143.04852	1.3
143.08566	4.5
145.06485	2.7
147.04433	1.2
151.03828	1.0
152.06194	21.7
153.06981	41.0
155.04897	1.0
155.06058	1.1
155.08423	1.1
157.06482	7.1
163.04095	1.7
163.05434	4.7
165.06981	13.1
167.04945	6.0
169.06444	5.3
171.04367	1.3
171.08035	7.0
181.06464	68.9
182.06987	1.4
183.08031	1.4
184.05225	6.0
184.40526	0.8
185.05951	36.5
186.06209	1.2
191.04927	5.2
193.06483	3.4
195.04433	2.2
197.05960	6.7
198.06711	1.8
199.03911	5.2
199.07521	17.2
200.04645	1.8
207.02922	1.3
208.05228	1.5
209.05956	44.4
210.06497	1.8
211.07509	4.7
212.04710	1.8
213.05438	44.8
215.03566	0.9
217.04964	1.4
219.04338	4.0
221.05936	2.3
225.05499	1.0
226.06235	1.7
227.06998	32.9
237.05443	45.7
238.05797	1.3
239.06882	4.9
241.04929	22.2
255.06496	100.0
256.06873	2.6
265.04962	15.0
268.97925	1.7
283.05984	31.9
284.02771	0.9
285.00784	1.4
301.06320	1.9
303.02359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
65.03934	4.4
66.60947	0.4
67.05484	0.4
68.99766	0.7
69.07045	0.5
69.72452	2.0
73.42706	0.2
79.57391	0.3
81.07043	0.4
83.08579	0.5
91.05447	0.4
93.03391	2.1
94.04178	0.3
95.01304	0.4
95.04937	0.8
95.08563	0.6
103.05436	1.1
111.04424	0.6
115.05433	6.5
121.02863	5.2
123.04392	0.6
128.06161	1.6
129.06992	1.9
131.04906	3.4
133.02834	0.3
139.05418	1.8
141.06973	7.8
143.04900	6.7
143.08517	0.4
147.04349	0.4
152.06189	3.3
153.02843	0.3
153.06975	7.8
155.08533	0.6
156.05675	0.8
157.06451	4.5
159.04408	5.6
161.02339	0.7
163.03911	0.7
165.06987	5.7
167.04938	3.0
168.05583	0.6
169.06474	6.2
171.04413	2.3
171.08015	1.1
177.05510	0.3
181.05038	0.5
181.06451	10.1
183.08031	1.1
185.05956	8.1
187.03874	5.2
191.10498	0.4
193.06436	1.3
195.02655	0.3
195.04407	1.0
199.03882	100.0
199.07570	2.8
200.04245	1.0
209.05945	4.8
210.06744	0.5
211.03857	0.4
211.07509	1.1
213.05446	13.6
215.03368	15.2
217.04921	1.0
227.06973	3.4
237.05447	5.4
239.03403	0.4
239.06973	1.1
241.01216	0.4
241.04845	1.4
254.64532	0.3
255.06474	3.9
265.04880	2.0
282.27878	0.7
283.05978	9.3
283.09082	0.5
301.06985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49685	0.4
55.01851	1.1
55.68921	0.4
59.12779	0.4
65.03925	4.0
67.05495	0.9
68.99782	0.5
69.03400	0.7
69.07069	0.6
69.79713	0.4
70.52506	1.3
76.01046	0.4
79.05478	0.5
81.07045	0.6
91.05443	0.8
93.03381	2.9
93.06999	0.8
95.01302	1.8
95.04945	0.4
95.08587	0.5
98.21373	0.5
103.05428	1.7
105.07021	0.9
108.79353	0.4
110.13338	0.4
111.04421	0.7
115.05424	8.1
117.06989	0.5
121.02864	5.6
121.10146	0.4
126.21796	0.5
128.06235	2.2
129.06972	2.0
131.04913	3.8
131.08496	0.5
133.06520	0.5
139.05382	1.3
141.06955	8.0
143.04906	6.1
143.08502	0.5
146.38939	0.4
152.06198	3.0
153.06972	9.6
155.08553	0.7
156.05707	1.3
157.06471	4.5
159.04401	6.4
163.03853	1.0
165.06985	5.0
167.04912	2.3
167.08543	0.6
168.05641	0.7
169.06471	6.2
171.04341	2.0
171.08023	0.7
181.06445	10.9
183.08118	1.0
184.05159	0.6
185.05962	7.9
185.07599	0.5
187.03894	5.9
193.06483	1.6
195.04388	0.6
199.03873	100.0
199.07558	2.7
200.04221	1.7
201.05310	0.4
209.05933	4.9
211.07497	0.9
213.05432	13.0
215.03363	15.0
217.04987	0.9
227.06961	3.7
237.05432	4.7
239.06952	1.4
241.04979	2.2
243.05751	0.4
255.06494	5.7
265.04797	2.0
280.01236	0.4
283.06033	8.0
283.09439	1.1
301.07123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43499	1.5
53.03931	2.9
55.01852	5.5
55.05502	13.6
57.03424	17.4
57.07051	2.8
65.03924	1.3
67.05494	27.1
69.03413	2.7
69.07053	10.2
69.85317	1.4
71.04960	3.3
71.15870	2.8
73.02878	1.8
78.06744	1.5
79.05482	32.5
81.03399	4.2
81.07044	24.1
83.04963	5.5
83.08600	10.8
91.05468	15.5
93.03406	1.4
93.07031	44.0
95.04940	10.8
95.08588	40.8
97.02872	5.2
97.06518	3.8
99.04424	4.7
105.07016	13.3
107.04950	13.0
107.08575	30.4
109.06512	2.9
109.10136	3.1
111.04424	2.8
111.08060	2.5
112.34293	1.4
117.07020	12.9
119.08576	13.3
121.06514	7.0
121.10114	17.8
122.80077	1.5
123.11694	2.7
124.75871	1.2
125.05973	3.5
129.06970	1.6
130.07780	1.5
131.08540	6.6
133.10118	9.6
135.08005	2.8
135.10657	2.9
135.11671	54.9
139.07484	3.1
143.08501	1.9
145.10094	36.7
147.08080	2.2
147.11639	2.0
149.09494	2.0
153.12698	2.7
159.85585	1.6
163.11156	74.0
173.09662	2.9
181.12218	17.1
191.10617	6.3
209.11621	6.5
216.64948	1.4
227.12753	100.0
260.10016	1.7
283.15237	31.9
283.19980	2.5
283.23901	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	283.1537
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.31546	2.9
53.03937	8.8
55.01867	46.5
55.05505	75.5
57.03433	62.3
57.07062	4.3
58.14075	3.5
59.04992	12.6
65.03941	3.6
67.05501	45.0
69.03422	3.0
69.07082	15.4
69.07400	2.9
69.36411	27.8
71.01357	5.1
71.04977	12.8
79.05486	69.5
81.03410	36.2
81.07048	57.6
83.01334	35.6
83.04971	49.0
83.08620	29.1
85.02911	8.0
85.06578	4.5
89.06063	7.1
91.05473	44.6
91.85034	2.9
93.07039	80.8
95.04947	24.9
95.08605	30.9
97.02869	7.1
97.06535	15.3
97.10191	4.8
99.04448	6.5
100.61169	2.8
103.05434	3.2
105.07024	34.0
107.04953	27.5
107.08594	39.3
109.06522	17.8
109.10148	8.0
111.04439	11.7
111.08090	10.2
115.05480	3.9
117.07005	24.8
119.08563	31.7
121.06529	7.3
121.10135	24.9
123.08038	24.6
125.05971	6.9
125.09628	3.6
129.06989	6.8
130.07808	4.1
131.08566	9.0
133.10144	6.8
135.08055	5.9
135.11676	46.5
137.09575	8.2
139.07480	3.5
145.06544	4.0
145.10097	52.0
147.08012	6.8
148.95520	3.0
149.06085	3.0
153.12746	13.0
155.08546	6.9
163.11171	100.0
163.12508	6.5
173.09615	9.5
181.12250	20.3
191.10657	15.4
198.72183	3.3
209.11748	21.3
210.93089	3.5
213.67265	3.6
227.12796	21.2
261.84879	3.9
283.15359	88.3
283.20181	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01869	5.6
55.05503	11.9
57.03428	15.0
67.05168	1.8
67.05498	24.2
69.07050	7.2
69.28841	10.2
71.04984	3.3
73.02926	1.4
73.04033	0.9
73.21447	1.0
79.05052	2.3
79.05487	29.9
79.89621	1.2
81.03410	3.4
81.07049	23.5
83.04979	5.4
83.08607	10.0
83.19744	1.2
85.06523	2.0
87.16109	1.1
91.05473	15.0
93.07034	44.4
95.04941	7.4
95.07974	2.2
95.08591	45.8
96.08884	1.2
97.02885	3.5
97.06497	5.3
99.04443	4.0
100.90346	1.0
103.05424	1.3
105.07011	10.2
106.83525	1.2
107.04939	13.6
107.08581	28.3
109.06509	2.4
109.10124	2.1
111.04424	4.0
117.06989	12.6
119.08575	10.7
121.06510	7.2
121.10130	15.0
123.11685	1.9
125.05988	3.1
129.06972	1.5
130.07764	2.8
131.08540	4.0
133.10136	4.3
135.08035	2.4
135.11674	58.3
139.07489	2.4
143.08557	2.3
145.05350	1.2
145.06458	1.6
145.10103	30.0
153.12759	2.6
163.11162	80.8
164.11621	1.7
167.37807	1.1
173.09619	3.2
181.12227	18.6
181.13744	2.1
191.10698	2.5
209.11621	5.7
227.12752	100.0
228.13084	1.2
283.15359	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
53.41166	0.8
55.01870	5.4
55.05255	1.1
55.05503	14.7
57.03438	10.9
57.07063	1.3
60.23582	0.9
65.03921	1.5
67.05495	24.8
67.96310	0.8
69.03410	2.8
69.07061	8.3
70.72308	2.1
70.72630	1.0
71.04973	3.4
73.02896	1.6
79.05482	34.6
81.03397	3.3
81.07050	25.4
83.04962	6.0
83.08614	8.7
85.02914	0.9
85.06515	1.1
88.24964	0.8
89.05997	3.5
91.04951	1.0
91.05470	12.0
93.07031	45.1
95.04961	10.0
95.08596	39.1
97.02878	5.9
97.06503	5.5
97.10177	1.3
99.04436	4.6
103.05468	1.0
104.09104	0.8
105.07021	9.5
107.04945	12.0
107.08580	30.5
109.06516	4.0
109.10133	3.4
111.04436	4.5
111.08047	2.3
113.06023	1.3
117.07005	11.8
119.08556	10.7
121.06497	7.2
121.10130	13.3
125.05960	2.9
130.07747	2.8
131.08591	1.1
133.10109	2.7
135.08003	3.0
135.11678	56.5
136.11977	1.8
139.07539	2.8
143.08598	1.3
145.10107	32.1
149.09598	1.3
153.12733	2.1
163.11165	72.3
164.11552	1.7
173.09633	2.0
181.12219	16.1
191.10652	2.8
209.11674	3.1
227.12756	100.0
228.13060	2.7
255.15984	1.6
283.15369	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14870	0.7
53.03928	2.9
55.01867	5.8
55.05261	0.8
55.05508	13.9
57.03436	13.5
57.07067	1.3
64.99413	0.7
64.99744	0.7
65.03926	1.3
67.05498	22.0
69.03429	1.1
69.07059	9.7
71.04990	3.8
73.02905	1.2
77.03899	0.9
79.05488	35.5
79.05950	1.8
79.53773	0.7
81.03410	3.2
81.07050	23.2
83.04984	6.3
83.08609	9.7
85.02906	0.9
85.06516	1.4
89.06017	1.0
91.05471	10.2
93.03393	1.0
93.07036	43.7
95.04958	8.7
95.08600	45.6
97.02882	4.3
97.06519	5.2
97.10122	1.4
99.04450	4.7
102.79124	0.7
104.04093	0.7
104.06093	0.8
105.07018	9.3
107.04271	1.2
107.04947	14.2
107.08583	30.7
109.06522	1.8
109.10142	3.1
111.04419	3.4
111.08071	1.8
113.05996	1.7
115.05413	1.1
117.07015	12.4
119.08573	12.6
121.06497	6.3
121.10134	16.2
125.05988	3.2
129.06967	1.0
130.07803	3.8
131.08563	1.5
133.10141	3.5
135.08031	2.1
135.11679	50.8
136.12022	0.9
139.07513	2.8
145.10107	34.9
146.10378	0.9
147.08072	0.9
153.12781	1.5
155.08484	1.2
160.37883	0.8
163.11166	70.2
164.11482	1.6
173.09665	2.0
181.12227	15.5
209.11725	3.2
227.12762	100.0
228.13113	2.0
232.30795	0.8
255.15730	1.0
270.35324	0.7
283.15356	18.9
283.20248	1.6
283.23590	0.9
297.14856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
52.60339	1.4
53.03926	3.8
55.05506	12.4
57.03429	2.5
57.07043	3.9
57.70281	1.7
65.03921	2.1
67.05505	14.6
69.03414	8.1
69.07068	10.7
69.84533	5.0
69.84959	5.7
71.04973	7.2
71.18806	1.4
79.05482	16.3
79.30214	1.5
81.03370	1.6
81.04705	1.5
81.07047	25.2
83.04940	4.6
83.08599	5.9
84.13981	1.6
85.56730	1.4
86.43463	1.5
91.05476	17.2
93.06484	2.2
93.07038	27.8
95.04965	8.1
95.08600	20.1
97.06504	5.2
98.20796	2.5
98.32722	1.6
105.07016	51.1
107.04935	2.0
107.08585	23.5
109.06496	11.7
109.10132	14.4
111.08038	3.5
115.05377	1.7
117.07004	10.6
119.08569	35.2
121.06515	9.8
121.10126	76.4
123.08043	6.8
123.11674	6.3
125.09586	2.3
128.06177	2.4
129.07027	3.8
130.07765	4.0
131.08566	19.8
133.07584	1.6
133.10123	23.2
135.08002	9.7
135.11676	10.1
137.09598	2.5
138.49008	1.7
142.07768	5.8
143.08533	15.4
144.09343	2.3
145.10101	34.9
146.07253	2.2
147.08026	2.8
147.11678	9.6
149.09682	2.1
149.13173	2.4
153.12796	2.1
155.08492	5.8
156.09352	3.4
157.10120	19.4
158.10880	6.3
159.07990	4.6
159.11667	16.0
161.09598	22.9
161.13242	5.3
163.11162	5.3
163.83589	1.8
165.06989	2.5
167.08562	2.6
169.10114	7.2
170.10872	2.4
171.11659	11.8
173.09576	6.1
173.13242	43.4
175.11186	5.5
175.14775	3.9
179.08519	6.9
180.09267	2.0
181.10094	6.6
182.10927	3.2
183.11620	6.7
185.09628	2.5
185.13223	11.7
187.11229	2.2
187.14850	8.5
188.15269	2.2
189.12796	3.1
191.10603	1.6
193.10106	2.1
194.10881	4.1
195.11658	10.7
197.13225	4.1
199.11095	2.8
199.14781	10.4
201.12822	2.0
201.16319	4.0
208.12376	3.4
209.13254	15.3
210.13985	2.3
211.14784	3.4
213.12747	5.4
213.16310	6.0
215.14265	1.8
223.14792	11.2
225.16344	5.9
227.14291	6.7
236.18546	1.7
237.16379	2.1
241.15799	2.5
255.21019	11.5
265.19510	23.1
265.53726	1.9
283.20517	100.0
284.20984	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	284.0988
Annotation	NSC19994
Peak:m/z	Relative Intensity
50.83517	0.2
55.01862	0.5
56.96559	5.9
57.03413	0.5
58.22051	0.2
60.70934	0.2
61.02908	0.3
61.29702	0.2
67.05479	0.5
67.38295	0.2
69.03418	0.3
71.27668	0.5
73.02875	0.3
75.88518	0.2
77.28375	0.2
79.05468	0.7
82.00315	0.2
83.04970	0.5
84.08121	0.3
84.96030	0.3
85.02881	0.9
86.75475	0.2
87.04441	0.3
89.03905	3.3
91.05432	0.3
93.03392	0.3
95.04953	0.6
97.02888	0.4
98.97575	1.3
102.01564	0.3
103.02320	0.3
107.04933	0.8
109.05119	0.4
110.03519	2.9
111.02046	0.7
111.04430	0.3
116.01227	0.2
116.98634	0.8
117.03375	2.4
124.99139	0.6
128.04556	1.1
128.98572	0.4
133.06476	0.3
134.99664	0.6
135.03009	3.8
135.04401	4.6
136.01439	0.4
136.06174	0.6
139.00612	0.4
139.03885	0.6
143.00145	1.9
145.01747	0.4
145.02820	2.7
147.04382	0.7
152.05655	100.0
153.04063	8.7
153.05971	0.5
157.01692	0.5
158.99699	0.4
159.03299	0.4
161.01198	2.4
163.03883	18.5
164.04205	1.2
169.01711	0.9
170.99649	0.6
177.00772	0.3
179.02191	0.3
185.01224	1.0
186.04184	0.3
187.02725	1.2
189.00659	1.3
194.99770	0.3
203.02284	0.6
207.01759	0.6
213.00677	1.4
231.01823	1.9
249.02715	1.9
252.04515	0.3
267.03778	1.1
284.10818	0.3
284.29260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Batatasin I
Peak:m/z	Relative Intensity
53.03898	0.6
60.79945	0.5
67.05507	0.9
69.46859	4.4
69.63770	0.6
73.27753	0.6
74.16695	0.5
79.05453	1.1
81.03423	1.2
81.07033	1.4
91.05477	1.2
93.07040	1.0
95.04982	1.3
95.08569	0.9
98.21489	1.3
105.07001	2.3
107.08537	1.0
109.10172	0.6
109.36485	0.6
131.71524	0.6
133.06453	1.0
133.10089	0.6
137.05934	3.6
141.06950	0.7
146.03604	9.3
147.04393	0.8
153.06918	3.1
154.07729	2.2
161.05956	22.2
162.06702	0.8
164.06133	0.6
165.06979	28.4
166.07600	0.7
177.06956	0.8
179.08519	1.9
181.04926	1.1
181.06462	6.0
182.07253	11.4
183.07967	1.3
189.16437	0.9
193.06461	25.2
193.12251	0.7
194.07152	3.8
195.07899	0.8
197.05888	0.7
197.09593	1.7
199.07590	1.9
207.08025	1.0
209.05954	2.2
210.06734	24.1
211.07497	3.0
221.05949	27.4
222.06651	3.3
224.08304	1.1
225.09077	72.6
226.09395	1.2
227.06972	2.5
235.07484	1.1
237.05469	0.9
238.06230	8.8
239.07004	4.9
242.09258	1.1
253.08569	100.0
254.09311	6.0
255.06546	1.2
269.08090	1.1
270.08817	4.5
285.11176	67.2
286.11636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.01849	3.5
55.05503	28.4
57.03432	56.4
59.04982	3.3
59.25859	1.7
65.03946	2.1
67.05494	38.5
69.03387	3.8
69.05910	2.0
69.07052	10.9
71.04996	9.9
79.05486	35.8
81.03410	100.0
81.07048	55.0
83.04974	20.7
83.08611	40.4
85.02894	89.3
85.06513	5.3
91.05469	45.6
93.07034	27.9
95.04959	45.1
95.08585	15.4
97.02875	5.4
97.06509	7.5
97.10135	2.6
98.98483	2.1
105.06361	2.8
105.07021	42.4
107.04911	5.9
107.08580	10.1
109.06496	11.4
109.10120	8.3
111.04430	4.7
111.08064	23.2
113.05990	6.8
115.05414	2.2
117.06983	2.7
119.08565	32.2
121.06446	2.2
121.10148	17.7
123.08029	4.6
123.11679	4.0
129.06992	16.9
131.08545	18.3
133.06465	4.4
133.10100	14.8
135.04362	5.9
137.02324	4.0
137.09633	3.5
142.07767	3.5
145.10110	3.9
147.08054	4.3
147.11673	26.8
149.09610	9.7
157.10115	24.7
165.12733	7.7
175.11165	31.8
181.04901	6.5
193.12228	99.6
211.11269	3.9
211.13271	74.9
213.05553	2.6
267.15805	2.8
270.05081	4.1
285.07520	17.6
285.10883	3.7
285.16898	54.1
285.21686	2.5
285.29684	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.3
55.01867	3.3
55.05503	28.0
57.03430	55.8
57.07056	2.3
65.03921	3.1
67.05495	41.3
69.03409	6.3
69.07045	9.6
71.04973	9.5
71.56586	3.6
71.56973	2.6
76.14247	2.1
79.05482	42.7
81.03408	95.8
81.07046	52.6
82.12443	1.9
83.04961	19.9
83.08608	37.4
85.02894	96.9
85.06533	3.0
91.04881	2.6
91.05469	54.5
93.07031	28.6
95.04956	38.2
95.08592	21.6
97.02888	3.6
97.06514	7.5
97.10156	5.3
105.07007	41.2
107.04934	6.5
107.08572	12.1
109.06496	9.1
109.10137	5.0
111.04414	2.7
111.08063	24.7
113.05979	7.3
117.06974	2.4
119.08562	31.8
121.10115	18.6
123.08082	4.0
123.11714	3.0
124.99942	2.0
125.09688	2.2
129.06998	17.8
131.08557	18.5
133.06482	4.6
133.10104	16.3
137.09547	3.3
142.07756	5.2
145.10132	4.6
147.08032	3.2
147.11679	27.0
149.09599	12.5
157.04607	2.0
157.10110	20.2
160.97609	2.5
165.12701	6.0
175.11156	25.0
181.04982	7.2
193.12225	100.0
211.13249	71.8
225.05464	2.3
285.07751	11.1
285.14075	4.4
285.16953	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.9
55.01869	3.1
55.05502	26.6
55.34921	2.5
57.03429	53.9
64.08541	2.6
67.05206	3.5
67.05505	40.4
69.03403	8.9
69.07059	13.1
71.04977	11.0
79.05482	39.5
81.03407	83.1
81.07052	47.4
83.04979	20.1
83.08616	38.4
85.02406	5.9
85.02895	92.1
91.05473	51.5
93.07030	29.1
95.04966	42.1
95.08581	20.2
97.02892	5.0
97.06523	4.1
97.10155	5.6
105.07017	35.8
107.04977	5.5
107.08582	10.0
109.06512	6.9
109.10142	3.6
111.04446	3.9
111.08062	21.9
113.05990	6.1
119.08582	35.6
121.10110	16.1
123.08051	3.5
128.50082	2.8
129.07008	13.7
130.87907	2.4
131.08562	13.3
133.06497	5.2
133.10168	16.0
142.07770	3.2
145.10115	2.8
147.07994	5.1
147.11668	30.9
149.09583	10.4
157.10118	19.1
165.12753	6.9
175.11166	26.9
181.04956	4.6
192.95338	2.7
193.12222	100.0
211.13255	73.9
212.13661	3.6
285.07410	5.9
285.16913	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
53.12374	1.8
55.01867	5.7
55.05501	26.5
57.03428	54.3
57.05947	1.6
57.08813	1.8
65.03945	2.8
67.05156	3.3
67.05498	42.5
69.03422	7.7
69.07061	12.9
69.81524	5.9
69.81954	6.4
71.04979	11.1
79.05484	41.2
81.03406	96.2
81.07049	54.5
83.04971	20.8
83.08611	37.3
85.02894	98.8
85.06501	2.4
91.05469	51.1
93.07024	27.6
95.04955	44.2
95.08597	20.4
96.51431	1.7
97.02866	4.4
97.06522	8.6
97.10173	4.7
98.20850	3.0
99.08090	2.6
103.05450	2.1
105.07014	36.7
107.04945	7.1
107.08591	13.6
109.06490	6.8
109.10132	5.1
111.04427	5.3
111.08067	24.3
113.05998	6.3
115.05462	2.3
119.08555	30.7
121.06474	2.1
121.10125	19.2
123.08064	4.0
123.11691	5.3
125.09615	2.1
127.07556	3.0
129.07010	15.5
129.07835	2.6
131.08534	17.3
133.06467	4.6
133.10114	14.3
137.09645	3.8
142.07765	5.1
142.36591	2.1
147.08017	5.1
147.11670	33.4
149.09566	11.4
151.11191	2.7
157.10106	22.7
165.12740	6.8
175.11165	28.9
181.04881	2.4
193.12218	100.0
194.12480	2.0
211.13260	79.5
267.15744	1.9
285.07611	4.8
285.16910	58.5
285.33298	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.45869	1.8
55.01851	4.5
55.05507	13.7
56.96552	3.4
57.03431	24.9
59.77073	1.9
61.16967	1.7
63.00042	1.8
63.51766	1.7
67.05494	29.4
68.99773	3.4
69.03426	3.0
69.07043	7.0
70.89856	4.6
70.90190	3.5
71.04991	10.4
79.05482	27.0
81.03408	100.0
81.07050	28.7
83.04981	14.6
83.08611	24.6
85.02405	3.3
85.02894	45.0
85.06550	2.2
88.80624	2.0
91.05474	29.6
93.07038	17.0
95.04962	35.3
95.08610	11.1
97.02906	2.9
97.06477	3.9
97.10148	3.3
99.08070	2.2
99.91016	1.8
105.07023	24.3
107.04940	5.9
107.08561	7.9
109.06502	6.2
109.10130	3.7
111.08075	15.2
111.86426	2.2
113.06007	4.3
115.05403	2.5
117.06978	3.4
119.08567	18.1
121.10145	10.5
123.07986	3.5
128.06204	2.2
129.05458	2.7
129.06982	9.6
131.08563	13.9
133.06473	4.2
133.10114	8.7
137.05905	2.6
142.07759	4.6
144.01018	1.7
145.06511	2.9
147.08066	4.0
147.11668	17.8
149.09587	6.2
155.03665	1.8
155.04855	3.9
157.10091	16.8
158.18687	1.9
161.05963	6.2
163.11122	3.1
165.06961	6.3
165.12799	4.7
169.05359	2.1
169.10092	2.1
173.05983	3.1
175.11168	22.6
181.04932	4.9
181.06416	3.0
182.07323	2.3
183.04343	2.6
187.03857	2.2
193.06474	3.7
193.12216	63.4
200.89984	2.2
201.05424	8.5
210.06767	5.8
211.13269	40.1
221.05917	6.7
224.08287	2.3
225.05449	2.5
225.09129	6.6
229.04910	26.0
229.14323	5.2
231.02261	2.4
239.03336	2.7
253.08591	10.1
254.09283	3.4
257.04510	13.5
267.10059	4.7
267.15973	6.0
285.03964	56.3
285.07486	8.1
285.10895	18.5
285.16873	28.2
286.04453	3.0
303.04803	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01858	4.7
55.05506	30.0
56.74085	2.0
57.03432	55.2
59.04993	2.5
65.03947	3.7
67.05498	40.2
69.03415	6.5
69.07065	12.3
70.06589	3.1
71.04993	15.0
71.28242	5.3
79.05483	32.2
81.03407	96.2
81.07038	43.1
83.04967	19.8
83.08608	39.8
85.02894	92.4
85.03420	3.3
85.06525	4.3
88.07619	2.6
91.05471	45.3
93.07024	26.7
95.04960	41.9
95.08577	17.0
97.02870	5.4
97.06529	7.8
97.10175	4.0
98.98467	2.7
99.08067	2.3
105.06374	2.3
105.07025	30.3
107.04945	6.2
107.08575	12.8
109.06489	11.3
109.10120	4.3
109.80912	2.1
111.04423	5.8
111.08076	20.9
113.06004	7.0
117.06995	2.4
119.08572	29.8
121.06478	3.6
121.10128	17.7
123.08043	3.2
123.11662	4.7
125.05928	2.1
129.06992	13.9
131.08569	12.7
133.06505	5.0
133.10120	10.2
142.07776	3.1
147.07993	4.7
147.11667	29.8
149.09613	12.1
157.10118	26.5
164.24115	2.0
165.12704	5.4
175.11154	28.4
181.04980	3.1
193.12221	100.0
211.11264	4.6
211.13283	69.9
267.24310	5.6
285.07639	6.8
285.16898	60.1
285.25339	16.6
291.62943	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01854	6.6
55.05505	30.0
57.03428	50.6
65.12441	2.7
67.05159	4.3
67.05495	51.3
68.99778	3.9
69.03414	7.4
69.07041	9.8
70.97594	4.8
70.97939	3.0
71.04978	8.6
79.05479	47.7
80.72671	2.3
81.03405	100.0
81.07042	52.7
83.04967	21.1
83.08610	38.1
85.02894	85.4
85.06538	4.3
91.05468	53.0
93.07032	32.9
95.04953	38.3
95.08596	21.6
97.02882	6.2
97.06519	5.6
97.10142	5.0
99.04423	2.9
105.07011	38.9
107.04944	8.5
107.08583	13.2
109.06499	8.0
109.10149	8.0
111.04365	4.8
111.08054	19.9
113.05966	9.8
117.06992	4.1
119.08556	31.8
121.06435	3.0
121.10147	17.3
123.08038	7.9
123.11687	5.6
129.06154	3.0
129.06963	16.2
131.04958	2.4
131.08546	21.0
133.06453	4.2
133.10112	17.2
142.07767	4.0
144.04671	2.3
145.10100	3.2
147.08031	5.5
147.11655	27.0
149.09575	10.7
155.04948	2.3
157.10103	24.1
161.05952	4.3
165.12669	6.1
170.90500	2.5
175.11174	21.9
193.06566	3.1
193.12213	81.2
201.05482	4.1
211.07465	2.7
211.13266	54.7
221.05988	3.8
225.09128	8.6
229.04935	10.5
253.08551	8.3
257.04395	11.9
267.15866	6.7
285.03915	28.4
285.07620	6.0
285.11246	11.9
285.16913	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01867	3.8
55.05258	1.5
55.05503	17.7
57.03432	25.9
57.07065	1.1
57.08354	0.9
57.56967	1.1
61.01754	1.0
67.05496	26.0
69.03410	3.8
69.07074	6.6
69.42344	8.8
69.42760	1.9
71.04983	7.2
79.05483	28.7
81.03410	100.0
81.07048	31.5
83.04980	12.7
83.08606	23.6
85.02896	46.1
85.03416	1.9
85.03989	1.3
85.06523	2.7
91.05472	29.2
93.07034	16.6
95.04956	32.1
95.08599	12.8
97.02882	4.3
97.06519	4.7
97.10167	1.4
99.04486	1.7
103.05460	1.3
105.07021	21.0
105.21492	1.1
107.04950	7.8
107.08588	8.2
109.06517	6.0
109.09460	1.3
109.10153	4.4
111.04443	2.6
111.08058	14.3
113.05980	3.4
115.05447	2.2
117.07008	2.4
119.08581	22.3
121.02836	1.2
121.06469	2.5
121.10141	11.7
123.08038	3.5
123.11681	3.4
125.09583	1.8
126.88247	1.1
128.06192	1.2
129.06998	9.9
131.04857	1.3
131.08563	10.4
133.06467	3.1
133.10120	9.5
137.05923	2.2
137.09572	1.9
140.16469	1.1
142.07780	4.5
145.10056	1.6
147.08011	3.4
147.11681	19.7
149.09601	6.8
154.07788	1.2
157.10112	15.6
161.05956	4.7
165.07027	7.5
165.12749	5.8
174.55336	1.0
175.11159	17.2
181.04987	1.7
181.06454	1.6
182.07266	3.7
193.06410	4.9
193.12216	64.9
194.07166	1.2
195.08008	1.1
197.06021	1.2
210.06693	6.0
211.07411	1.0
211.13274	38.0
221.05960	8.4
224.08279	1.8
225.05479	1.9
225.09094	9.1
227.07016	1.8
229.04956	5.3
229.14311	3.8
238.06155	2.3
253.03664	1.8
253.08600	11.9
254.09258	1.4
257.04483	3.9
262.04303	2.2
267.10107	2.9
267.16016	8.1
270.08942	2.3
285.04224	8.1
285.07571	5.4
285.11179	24.7
285.16876	28.1
286.04480	1.4
287.05408	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28638	1.0
56.96551	3.1
57.25734	0.9
61.02888	1.8
63.78436	1.0
68.99780	2.6
69.03412	2.1
70.06583	3.5
71.56876	1.6
71.57605	1.1
72.22797	1.0
73.02905	1.1
80.05000	1.7
81.03410	1.6
85.02898	6.4
85.81878	1.0
89.03910	3.4
96.04463	1.4
97.02838	2.0
107.04920	1.4
117.03394	2.4
123.04403	2.4
124.03941	100.0
127.03948	2.2
135.04366	4.8
136.04761	1.4
143.00150	1.8
145.02791	2.7
147.04407	1.6
161.01208	2.9
163.03882	18.7
164.04279	1.5
175.03941	1.7
185.09203	1.8
199.03957	1.2
203.03435	1.3
203.97984	1.1
211.96988	0.9
213.05394	1.2
215.13766	1.2
245.04515	1.6
249.02847	1.4
259.05945	1.0
267.03845	2.2
286.09204	3.2
287.05450	9.7
289.47922	1.0
291.03879	2.3
309.04791	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78619	1.2
53.79416	1.7
54.61433	1.4
56.39276	1.5
56.96545	2.0
68.99777	3.6
69.03408	2.2
70.28680	1.6
71.52669	2.6
71.53040	1.8
85.02881	3.1
91.05460	4.6
97.02815	1.3
102.81877	1.5
106.06544	100.0
107.04916	3.7
118.06546	15.5
120.08072	1.5
124.07583	2.3
130.06538	1.5
132.08051	2.9
132.99803	1.7
134.06009	1.5
135.04413	3.8
144.15334	1.4
146.05934	1.7
147.04408	2.5
148.07590	2.3
149.02319	2.9
161.01183	2.1
163.03897	18.7
171.03014	1.6
171.04388	2.1
173.06046	1.7
174.98927	2.0
175.03886	2.1
182.05351	1.6
189.00696	1.7
195.64709	1.5
199.03882	2.8
203.03342	2.9
211.10806	1.9
213.05383	3.2
224.08922	2.2
231.06560	1.6
241.04829	2.1
250.10757	2.9
268.11877	2.7
286.07727	2.1
286.12802	1.7
287.05457	18.1
291.03653	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01860	1.5
55.05513	1.5
56.96556	11.4
57.03433	4.6
61.02920	4.4
67.05508	0.5
69.03421	7.2
70.06584	100.0
70.10009	0.6
70.98122	0.7
71.04999	1.3
71.06912	0.6
72.01034	0.5
73.02917	4.5
76.43776	0.5
79.05486	1.7
81.03404	2.9
81.07057	0.5
83.04972	1.3
84.08132	13.1
84.96021	0.8
85.02896	12.0
87.04460	0.8
88.99158	0.5
89.03897	4.2
91.03958	1.5
91.24654	0.6
95.04967	0.7
97.02886	8.2
97.99182	0.8
98.97574	5.7
99.04446	1.7
101.00848	1.8
101.10754	2.3
103.61723	0.5
106.06538	4.3
107.04942	1.3
108.08122	0.6
109.02906	1.8
110.97582	1.0
112.07593	84.1
113.07892	0.7
116.00185	1.2
116.07076	1.2
116.98611	3.8
117.01939	0.5
117.03363	3.7
119.01909	5.4
123.02922	0.7
123.04481	0.7
124.03092	0.6
124.03924	3.1
124.07572	3.3
124.99102	1.5
126.02573	0.6
126.05519	1.2
127.03896	4.9
128.02338	0.5
128.98592	1.5
129.10236	3.9
130.08667	0.7
130.44238	0.6
131.00182	1.0
131.01865	4.1
133.01637	0.5
133.03458	1.1
134.01276	1.2
134.99646	1.9
135.04385	5.5
136.06125	0.5
137.02939	1.0
139.03860	0.5
139.08614	0.6
140.07047	35.5
140.98483	0.6
141.07390	0.6
143.00137	4.2
143.01909	2.0
144.03391	0.8
144.99768	0.9
145.01779	1.2
145.02849	2.7
145.03810	0.6
145.04996	1.6
146.99632	2.1
147.11237	1.1
149.01205	1.3
149.02968	1.9
152.05710	0.8
153.03932	1.0
155.01828	1.0
156.03346	0.9
157.03427	1.1
158.99680	1.9
159.03181	0.7
159.04851	0.5
161.01245	4.0
161.02827	3.4
163.03889	24.1
164.04219	1.3
165.00745	0.8
168.03490	0.6
168.05399	2.3
168.99850	0.7
170.05159	1.0
170.60983	0.6
170.99713	0.9
171.01247	1.1
171.04744	0.6
171.11325	0.7
173.01480	0.8
173.02870	3.2
174.04440	1.9
176.02344	1.7
176.05206	1.2
177.00717	2.5
177.02444	1.5
177.04111	1.0
177.05930	1.9
178.04927	1.3
181.03494	0.8
183.05049	1.9
184.04938	0.7
185.01286	1.3
185.02951	2.2
185.09184	1.8
186.04431	1.4
187.00937	1.0
187.02705	0.7
187.04520	1.0
189.00676	1.9
189.02501	1.6
190.98665	0.8
191.00415	0.9
191.03941	1.2
192.05508	1.1
193.00116	0.7
194.03337	1.2
195.01607	0.9
195.03555	0.7
196.04013	0.6
199.04349	0.7
201.00725	1.1
201.06007	1.1
203.02190	1.1
203.03917	1.7
204.05513	1.4
205.00143	0.9
205.04340	0.6
207.01654	1.1
215.00365	1.1
218.03271	1.1
219.01678	1.4
221.05019	1.4
226.03906	0.8
236.04260	0.8
237.02745	1.1
239.06058	1.1
240.04024	0.7
241.04768	0.7
244.04875	1.4
244.16649	0.6
245.04831	1.4
249.02788	2.2
250.10680	0.8
255.03812	0.6
263.06067	1.4
267.03946	2.8
268.16446	1.5
269.04581	0.7
273.00604	0.8
275.02368	0.8
285.04929	0.8
286.12845	2.2
286.17581	37.7
287.05408	4.6
287.17862	1.6
291.03864	3.9
309.04892	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13403	0.1
53.44640	0.2
55.01860	0.2
62.19651	0.2
65.03928	0.4
67.01854	0.4
68.99773	2.2
69.03419	0.3
70.78908	0.5
79.05460	0.6
81.03374	0.2
89.42536	0.1
91.05464	0.3
95.04948	0.4
96.94025	0.1
97.02851	0.2
103.05469	0.3
105.03399	0.9
105.06993	0.3
107.04939	1.1
107.16688	0.2
109.02861	0.6
109.06488	0.3
111.00797	1.5
111.04438	0.4
115.05424	0.2
119.04949	0.3
120.79495	0.2
121.02851	5.9
121.06481	0.5
128.06253	0.2
129.06981	0.3
131.04877	0.2
133.02844	0.9
135.04359	0.4
135.08037	0.6
136.01480	0.2
137.02321	1.8
137.05997	0.8
139.05461	0.2
141.06966	0.5
145.06497	0.6
147.04385	1.6
149.05954	0.7
151.07486	0.5
152.06180	0.8
153.01805	9.8
157.06454	1.3
161.05974	0.5
163.07516	1.1
165.00516	0.3
165.01822	3.2
165.06985	0.3
166.07782	0.6
167.08505	1.8
169.06477	0.2
171.04385	0.8
173.06088	0.2
175.03824	0.2
175.07570	0.2
181.06454	0.2
183.02859	1.8
185.05954	0.9
189.05467	0.2
194.07301	0.3
195.08040	2.0
197.05925	0.5
199.03841	0.3
203.03403	0.4
203.07021	0.3
211.07375	0.2
212.08406	0.4
213.05432	2.8
223.07576	0.6
227.10638	2.7
229.04941	0.5
231.06477	1.5
241.04921	1.4
242.05634	0.2
245.04402	0.3
255.10167	2.0
258.05185	2.2
259.05865	0.8
269.04419	0.3
281.38287	0.2
287.05450	100.0
288.05768	3.1
291.55609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Kaempferol
Peak:m/z	Relative Intensity
52.38973	0.3
55.05511	1.7
65.03918	0.5
67.05492	1.8
68.99788	3.5
69.07056	1.5
71.05016	0.3
79.05481	1.8
81.03403	0.5
81.07054	4.9
83.08585	0.7
85.02937	0.3
89.55138	0.3
91.05451	1.5
92.28936	0.3
93.07037	4.0
94.04238	0.3
95.04916	0.9
95.08589	2.9
97.10151	0.6
103.05442	0.4
105.03391	0.7
105.07024	4.0
107.04951	1.3
107.08593	4.0
109.02862	0.7
109.06496	0.4
109.10130	2.0
109.94336	0.4
111.00786	2.2
111.08062	0.4
115.05433	0.3
117.07021	0.6
119.08560	3.5
121.02867	5.8
121.10123	2.4
123.04456	0.4
123.11696	1.2
125.09605	0.9
129.06978	0.7
131.08549	1.2
133.02826	1.1
133.10112	2.8
135.04390	0.8
135.11694	1.4
137.02335	2.1
139.05400	0.4
139.11220	0.4
143.08574	0.7
145.06474	0.7
145.10112	1.8
147.04370	1.5
147.11681	3.3
149.13219	1.3
151.11136	0.5
153.01810	9.8
157.06448	1.9
157.10043	0.6
159.11684	1.7
161.05930	0.6
161.13219	1.6
163.14880	0.4
165.01833	3.1
171.03043	0.4
171.04320	1.6
171.11673	0.4
173.13217	1.3
175.03896	0.7
175.14761	0.5
177.05518	0.5
183.02867	1.4
185.05980	1.7
185.13237	0.6
187.14784	0.7
189.05602	0.5
189.16360	2.1
199.03880	1.8
199.14682	0.4
200.19916	0.3
201.05495	0.7
203.03375	1.1
203.07022	0.5
213.05420	3.7
213.16339	0.7
218.05867	0.3
219.06416	0.7
227.03424	0.4
229.04842	0.7
229.19437	0.5
231.06438	1.5
241.04979	2.4
245.04425	1.4
258.05234	2.1
259.05972	1.0
269.04504	1.0
269.22665	2.5
287.05466	100.0
287.23581	5.4
288.05750	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61811	0.2
54.34289	0.2
65.03935	0.3
67.01846	0.5
68.99789	2.4
69.41608	1.7
77.03923	0.3
79.05488	0.5
81.03393	0.3
82.57866	0.2
95.04941	0.3
98.21470	0.3
101.18385	0.2
101.19160	0.2
105.03367	0.8
107.04952	1.0
109.02874	0.8
111.00777	1.5
111.04438	0.4
112.30182	0.2
115.05408	0.2
119.04861	0.2
121.02856	6.2
128.51480	0.2
129.07031	0.4
131.91661	0.3
133.02827	1.0
133.49457	0.3
135.04355	0.3
137.02345	2.0
141.06976	0.4
145.06451	0.6
145.20723	0.2
147.04424	1.1
153.01811	10.3
157.06418	1.1
161.05968	0.5
165.01826	3.2
171.04395	0.8
173.80321	0.2
183.02872	1.8
185.05977	1.0
189.05515	0.3
197.06033	0.5
213.05478	2.8
229.04907	0.4
231.06471	1.2
241.04906	1.6
258.05194	2.4
259.06033	1.0
269.04266	0.4
273.94208	0.2
287.05463	100.0
288.05807	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03927	0.4
64.11704	0.2
65.03918	0.6
67.01832	0.7
68.99777	2.9
69.03413	0.3
69.47799	0.3
69.48204	1.2
71.01333	0.2
71.19047	0.2
78.37090	0.2
78.75851	0.2
79.05473	0.9
81.03405	0.6
83.59992	0.2
91.05487	0.2
93.84485	0.2
94.55455	0.2
95.04960	0.3
98.20723	0.4
103.05466	0.4
105.03377	1.3
107.04944	1.4
107.22120	0.2
107.95567	0.2
109.02844	0.6
111.00798	1.9
111.04433	0.6
115.05433	0.2
119.04895	0.2
119.61633	0.2
121.02853	8.3
121.03815	0.4
123.60445	0.2
127.03918	0.3
128.06227	0.3
129.06973	0.6
133.02861	1.0
135.04434	0.5
135.43575	0.2
137.02319	3.0
141.06987	0.2
145.06468	0.7
147.04385	1.8
153.01804	13.1
157.06474	1.4
161.05971	0.5
165.01825	3.8
171.03061	0.3
171.04369	0.9
175.03871	0.2
183.02898	2.1
184.05283	0.2
185.05956	1.5
189.05437	0.5
197.06053	0.4
201.05539	0.2
203.03180	0.2
203.07004	0.3
213.05432	3.5
217.05013	0.2
229.04909	0.6
231.06567	1.7
241.04860	1.7
242.05553	0.2
245.04546	0.2
258.05212	2.8
259.05975	1.1
269.04340	0.4
286.04443	0.2
287.05460	100.0
288.05762	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.49251	0.2
59.23509	0.1
65.03933	0.3
67.01851	0.2
68.99786	2.0
69.03437	0.2
69.92702	1.1
75.72285	0.2
79.05488	0.4
81.03416	0.3
95.04980	0.3
103.05476	0.3
105.03390	1.2
107.04978	1.2
109.02838	0.6
111.00789	1.4
111.04420	0.5
117.07029	0.2
119.04901	0.2
121.02856	6.1
129.07002	0.2
133.02823	1.0
135.04395	0.4
137.02325	2.4
141.06917	0.3
145.06432	0.5
147.04391	1.6
153.01814	10.3
157.06467	1.4
161.05949	0.3
165.01823	3.2
166.02426	0.2
171.04375	0.7
175.03877	0.2
180.36928	0.2
183.02910	1.9
185.05952	1.0
189.05429	0.3
197.05971	0.3
203.03484	0.2
203.07054	0.2
213.05443	3.0
216.04225	0.2
229.04942	0.4
231.06493	1.2
241.04916	1.7
257.04745	0.2
258.05237	2.0
259.06094	0.9
269.04361	0.4
287.05463	100.0
288.05792	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
54.08330	0.8
55.05490	2.5
65.03919	1.5
67.01843	2.9
67.05480	2.7
68.99786	4.3
69.03406	2.7
69.07034	1.9
71.53326	1.1
79.05488	4.9
81.03400	1.7
81.07046	5.9
83.08613	0.7
89.03909	6.6
91.05446	3.3
93.03387	1.2
93.07021	5.0
95.04948	1.6
95.08610	3.9
97.02891	1.2
104.94538	0.7
105.07002	2.6
106.06544	1.1
107.04916	2.5
107.08593	4.2
109.02872	1.7
109.10131	2.8
111.00768	3.2
111.04412	4.0
111.08044	0.9
112.02275	0.7
117.03358	10.0
118.06503	2.2
119.08549	2.0
120.08085	4.7
121.10110	2.7
123.04419	7.9
123.11659	1.5
124.07558	2.8
127.03888	2.9
131.08571	1.1
133.10065	1.3
134.05980	2.2
135.04396	25.3
135.11691	1.7
136.07574	2.6
137.05846	0.8
138.05466	0.8
139.03882	5.1
141.06931	0.8
145.02841	11.4
145.10069	1.4
146.05949	1.8
147.60938	0.9
148.07550	2.8
149.02299	1.2
149.05882	0.8
149.13219	2.3
151.03902	2.5
153.01808	100.0
154.02168	1.3
159.04341	1.7
159.11699	1.0
161.05992	1.3
162.05518	1.9
163.03886	74.1
163.14757	1.2
164.07040	29.8
164.17972	0.6
171.02866	6.1
171.11528	0.7
175.14763	1.3
179.03380	5.8
183.11763	1.6
185.05952	0.8
187.03908	2.7
192.86964	0.7
205.04889	1.7
229.12186	1.7
243.15002	1.6
253.04771	1.0
271.05997	2.8
271.14307	6.2
271.16986	1.5
271.24097	0.7
289.07025	78.2
289.15411	23.2
289.17990	1.1
289.21921	1.5
289.24762	3.3
290.07339	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	289.0703
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03933	1.6
55.01867	1.3
64.13177	0.9
64.98048	0.9
65.03937	6.2
67.01864	0.8
67.05500	1.8
68.99776	3.8
70.21703	4.4
72.19270	0.8
77.03947	1.0
79.05471	2.2
81.03391	2.2
88.43848	0.9
89.03912	3.7
89.56740	0.8
91.05469	1.9
93.03381	6.5
95.04950	3.2
103.05453	1.2
107.04942	13.2
107.08598	1.3
109.59036	0.8
111.00755	0.9
111.04433	26.6
117.03342	3.6
121.02883	5.9
121.03638	1.0
123.04415	48.2
125.09584	0.9
127.03899	29.4
129.07011	1.0
131.04935	4.5
131.08549	1.2
135.04401	100.0
137.02327	4.3
139.03886	37.8
141.06949	2.7
145.02817	1.2
145.06419	1.3
147.08012	1.0
149.02328	34.6
149.05946	2.1
150.03047	1.2
151.03883	19.3
153.01814	8.4
157.06485	1.2
159.04419	3.3
163.03893	22.4
165.01819	1.0
167.03374	1.3
169.06566	4.3
177.05466	1.8
179.03387	2.8
183.04405	1.3
183.11600	1.1
185.05960	2.1
187.03838	2.1
187.07523	2.0
191.36525	0.9
197.06044	5.4
201.05379	1.1
203.07031	1.3
205.04913	1.5
213.05373	1.8
215.06998	32.0
225.05457	1.4
229.05057	0.8
231.06483	4.8
241.04831	1.2
243.06506	43.4
253.04845	1.7
259.05984	6.7
261.07617	6.6
271.06000	23.6
289.07007	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	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
61.72623	1.0
65.03938	2.8
67.01867	1.2
68.99789	3.9
70.68708	3.1
70.69086	1.1
79.05468	0.9
89.03918	1.1
91.05467	4.4
93.03389	0.9
107.04946	25.4
111.04440	2.6
119.04922	4.0
121.02863	12.2
123.04418	4.9
127.03896	4.2
131.04912	1.1
131.08530	0.9
135.04384	8.1
139.03857	5.0
141.07007	3.5
143.95804	1.0
145.06413	1.2
147.04414	2.9
147.08031	1.9
149.02324	66.0
151.03876	1.8
153.01823	20.2
159.04381	1.7
159.08031	1.4
167.03413	1.9
169.06490	5.9
171.02895	2.5
173.06026	1.3
181.06378	1.2
185.05931	1.7
187.03862	1.0
187.07478	2.3
197.05984	10.1
213.05479	1.3
215.07008	83.3
216.07410	1.8
243.06508	100.0
244.06879	1.7
253.04947	1.4
261.07806	1.0
271.05988	34.6
289.07138	1.1
302.68945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03931	0.6
55.01851	0.4
57.03418	0.8
61.02924	0.6
63.60655	0.3
67.18949	0.4
69.03404	1.4
70.75726	1.1
81.03402	0.6
82.24952	0.3
85.02890	4.6
86.59171	0.3
93.05642	0.3
97.02898	1.7
104.74030	0.3
109.02857	1.0
111.04358	0.4
117.61622	0.3
123.04423	1.6
127.03902	100.0
128.04245	1.4
129.07024	0.4
135.04411	1.6
139.03885	7.8
145.04938	1.1
151.03876	0.5
154.16191	0.4
163.03883	0.7
171.86575	0.4
205.05020	0.4
210.69394	0.4
289.07001	0.6
289.12598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05502	38.3
57.49974	4.5
59.04994	66.2
67.05495	14.3
69.07062	12.2
69.54116	35.1
71.55794	4.3
72.91373	5.2
79.05490	8.0
81.07040	18.8
85.06535	94.7
91.05480	24.0
93.07037	36.2
95.04967	8.1
95.08618	24.9
99.08079	21.8
105.07030	20.7
107.08572	18.4
109.06489	5.0
109.10146	5.7
119.08544	23.8
121.10160	10.7
125.09618	22.8
127.03929	9.1
129.07056	8.2
131.08543	23.3
133.10117	19.6
142.07794	15.2
143.08543	21.2
143.52423	5.7
144.09325	9.3
145.10121	20.4
147.11678	9.0
155.08548	9.4
156.09311	13.1
157.10118	34.2
158.10843	8.6
159.11682	21.4
168.09311	11.0
169.10062	10.1
171.11665	9.4
173.13206	39.7
175.11151	6.6
177.12675	6.4
183.11623	33.8
189.12892	5.5
197.13181	13.0
199.14827	16.5
201.12802	14.8
209.13191	5.7
211.14758	7.7
215.14319	6.6
217.15912	5.8
224.15794	7.2
233.15315	9.8
239.17947	20.5
257.18903	12.0
259.16916	8.7
271.20554	14.5
289.18991	4.0
289.21637	100.0
289.24817	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	290.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.2
55.05518	2.7
56.96558	20.3
57.03428	10.3
58.06584	5.3
61.02905	9.1
65.03928	3.6
67.05479	6.4
69.03419	15.6
70.06573	4.5
71.04982	2.6
71.56052	2.2
73.02911	30.0
77.54721	1.9
79.05491	3.1
81.03426	5.2
83.04975	3.4
84.10516	1.8
84.96038	3.2
85.02907	22.5
91.05492	2.7
93.03391	2.6
95.04944	3.4
96.01527	2.0
97.02888	17.4
98.97572	33.8
99.04439	5.1
101.00831	3.6
102.00941	3.7
102.96848	2.3
109.02830	4.7
110.01289	11.3
110.97517	5.0
111.04419	4.0
116.01251	5.3
116.98638	15.6
117.02090	3.3
119.01831	30.7
120.01997	20.6
121.01645	8.1
121.02854	3.5
122.03214	2.9
123.04412	7.4
124.99112	3.4
125.01768	5.9
127.03923	12.9
128.02295	7.4
128.04370	3.8
128.07062	5.0
128.98557	10.3
131.00156	2.3
131.01825	3.5
134.02260	4.4
134.03618	4.2
134.99640	10.5
135.04390	8.6
137.01823	2.5
137.02890	6.1
138.03050	7.6
139.03909	22.0
140.02287	6.8
140.04234	7.5
140.98616	2.0
143.00150	10.0
143.01855	4.0
144.02057	2.4
145.03465	2.8
145.04909	3.0
146.01208	1.8
146.02266	14.1
146.14276	2.1
146.99585	8.5
147.03075	2.5
149.02838	4.4
152.02301	5.3
155.02838	21.0
158.99646	12.2
161.01254	19.1
161.02695	12.6
162.03094	6.8
163.02734	5.2
163.03911	13.4
164.03215	4.9
165.00626	2.6
169.01740	3.5
170.03383	11.1
170.99635	10.2
173.02872	6.0
174.03081	3.3
175.02644	2.2
177.00676	12.0
179.02077	2.6
182.03304	13.4
182.99626	2.3
185.01195	5.4
187.02739	5.3
187.04771	2.1
189.00674	16.6
189.02303	4.2
191.02142	3.3
191.03868	54.8
191.54019	9.1
193.00133	2.5
198.05331	2.1
200.04401	100.0
200.54625	11.4
201.00684	9.2
203.02179	6.4
207.01740	3.6
209.04866	8.5
211.55235	5.5
213.00600	4.9
216.00468	4.4
216.04109	2.9
218.02092	4.3
219.01761	9.4
220.55780	4.2
231.01756	8.3
237.02872	5.6
248.03201	5.9
249.02704	7.5
258.05365	4.3
267.00089	2.5
267.03839	9.3
272.06726	4.0
276.06177	5.7
290.07697	9.3
290.12436	7.5
291.03796	7.0
309.04974	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01869	1.2
60.47633	0.4
61.23472	0.4
65.03938	1.0
67.05495	1.6
67.07257	0.5
68.99791	2.1
69.46133	0.4
69.82632	0.5
69.86152	2.7
83.04981	1.0
85.02907	0.5
91.05488	2.2
93.03397	1.0
95.04959	2.5
97.02874	0.5
111.04447	2.5
111.05094	0.5
115.05426	1.3
119.04944	5.5
120.71622	0.5
123.04417	65.7
124.04743	1.2
127.03860	1.4
131.04951	0.5
133.06482	0.9
135.04411	0.5
137.02321	0.8
137.05922	0.6
139.03885	100.0
140.04216	1.7
143.04927	2.5
147.04391	18.2
151.03915	2.6
153.05423	0.6
161.05949	6.4
163.03944	1.9
165.05457	16.7
169.04922	1.3
177.05443	1.0
179.07013	2.1
181.04979	0.7
189.05446	2.1
207.06529	7.3
222.43048	0.5
249.07558	1.2
273.07510	2.4
291.08652	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	291.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85386	0.3
55.01863	1.3
55.23763	0.4
65.03925	0.6
67.01845	0.6
67.05486	1.1
68.99774	1.6
70.49628	0.9
70.50011	0.8
74.35876	0.4
83.04973	0.9
85.02916	0.4
91.05469	1.5
93.03337	0.9
95.04963	2.9
97.02844	0.5
111.00804	0.6
111.04454	2.4
115.01927	0.4
115.05431	0.9
119.04935	5.9
123.04410	63.7
127.03916	1.1
133.06496	0.9
135.04454	0.5
137.02328	0.6
137.05969	0.9
139.03880	100.0
140.04216	1.5
143.04913	2.3
147.03204	1.0
147.04387	20.3
148.04805	0.4
151.03879	2.1
153.05466	0.5
161.05972	8.1
163.03894	1.4
165.05449	13.7
169.04944	1.7
177.05481	1.2
179.06999	3.4
181.04945	1.1
189.05573	2.0
207.06487	6.6
231.06470	0.5
249.07513	1.5
273.07544	1.6
291.08569	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01862	1.9
63.05362	0.3
65.03920	0.9
65.17340	0.3
67.01834	0.3
67.05508	2.0
68.39365	0.3
68.99783	2.1
70.21272	0.8
70.21676	0.5
77.03931	0.4
80.30466	0.3
83.04971	1.6
91.05463	1.7
93.03381	1.3
95.04965	3.4
97.02854	0.4
105.03364	0.6
105.07027	0.6
105.40116	0.4
111.00761	0.6
111.04430	3.5
115.05421	1.4
119.04924	7.8
120.80894	0.3
123.04411	67.1
124.04755	0.9
127.03905	1.2
131.04927	0.4
131.70833	0.3
133.06456	1.2
135.04420	0.7
137.02318	1.1
137.05966	1.0
139.03882	100.0
140.04219	2.1
143.04900	2.9
147.04387	23.8
148.04744	0.4
149.06018	0.4
151.03864	2.3
151.07455	0.5
153.05397	0.6
153.21028	0.3
161.05965	8.6
163.03886	2.5
165.05460	11.9
166.05800	0.4
169.04977	1.1
177.05464	1.6
179.07002	3.3
181.04956	0.7
183.21654	0.3
189.05371	2.6
207.06480	6.3
249.07556	1.4
273.07520	0.9
291.08575	4.6
296.76147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.59605	0.4
51.59172	0.4
53.03924	0.4
55.01862	1.9
65.03917	1.1
67.05476	1.4
67.48732	0.3
68.99785	2.1
69.03424	0.7
70.88408	0.9
83.04957	1.4
85.02892	0.6
91.05462	1.8
93.03365	1.1
95.04954	3.3
97.02865	0.5
97.80353	0.4
105.03383	0.6
107.04980	0.4
111.04427	3.5
115.05447	1.3
117.07011	0.4
119.04931	6.8
123.04415	65.7
124.04739	0.8
127.03899	1.4
129.29626	0.4
131.04887	0.7
133.06490	0.9
135.04446	1.1
137.02284	0.9
137.05957	0.9
139.03888	100.0
140.04210	1.5
143.04892	3.0
147.04393	22.5
150.06316	0.4
151.03925	2.6
151.07524	0.5
153.05449	0.7
159.04471	0.8
161.05966	8.6
163.03926	2.0
165.05469	13.5
169.04973	1.5
177.05501	0.6
179.06958	3.3
181.04909	0.7
189.05463	2.1
205.08640	0.6
207.06519	6.2
249.07651	1.1
273.07541	1.0
291.08612	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	alpha-Cotonefuran
Peak:m/z	Relative Intensity
51.02366	0.7
53.03944	7.6
55.05504	1.2
56.96542	0.4
57.03432	0.5
65.03947	0.9
67.05494	0.9
67.23412	0.3
67.81671	0.3
69.03425	11.2
69.07050	0.7
69.76483	0.7
69.76900	1.5
71.04984	2.1
79.05479	0.6
81.03411	76.2
81.07043	1.7
82.03737	0.6
85.02888	1.5
87.86646	0.3
91.05476	11.1
93.07037	1.2
95.04944	0.4
95.08621	1.5
97.02901	1.7
97.10217	0.4
98.20867	0.7
98.97601	0.5
99.04457	3.4
105.07029	1.0
107.05019	0.4
107.08594	1.1
109.02872	24.3
109.10140	0.8
119.04931	28.5
119.08595	0.6
121.10136	1.1
123.04427	0.9
123.08044	0.5
127.03896	3.0
131.04941	0.5
133.10078	0.4
135.11716	1.1
139.03906	1.2
147.04396	100.0
148.04753	2.4
149.13223	0.6
164.04716	0.7
165.05492	2.8
177.16322	0.3
203.34560	0.3
248.07874	0.3
291.08597	49.0
291.19565	0.8
291.22946	0.8
292.08868	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1223
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
51.30537	3.0
51.49384	2.6
53.03946	3.2
55.01867	10.5
55.05495	5.0
67.01877	3.0
67.05495	5.6
69.03423	8.3
69.07042	4.1
69.29063	35.2
71.04982	4.1
75.88860	3.1
77.93855	2.9
79.05482	6.4
81.03415	42.6
81.07041	5.0
83.04977	4.3
83.62822	2.8
85.02900	29.7
91.05477	16.9
93.07030	7.6
95.04942	6.5
95.08614	6.0
97.02896	12.1
99.69823	3.1
100.02250	4.4
100.30445	3.1
103.05463	10.7
105.07014	10.8
107.04941	5.2
107.08592	6.8
109.02872	14.5
111.04439	33.7
115.05450	18.1
117.07005	19.3
119.04966	4.6
119.08591	8.6
121.06511	5.9
121.10176	3.0
123.04433	12.4
127.90743	3.5
128.06206	11.9
129.07004	21.0
131.04881	19.0
131.08568	6.7
132.05844	5.8
133.02748	3.1
133.06508	12.2
135.08012	4.9
137.02411	3.4
137.05949	22.2
139.03899	17.7
139.05264	3.2
141.06967	17.3
142.07776	3.8
143.04951	11.4
143.08560	9.9
144.05641	6.2
145.06500	24.4
147.04405	14.2
147.08040	7.6
149.05943	18.7
151.07529	79.4
152.06213	9.8
153.06989	4.0
155.08495	3.8
157.06456	25.4
157.10136	5.1
158.07277	6.9
159.08113	5.5
160.05165	20.9
160.06316	3.3
161.05969	17.2
163.03902	4.4
163.07547	16.5
164.04567	4.6
165.05455	12.1
165.07002	11.2
165.09180	4.9
167.04970	4.0
167.07240	3.6
167.08525	16.6
169.06464	18.1
170.07265	4.5
171.04379	4.9
171.08031	19.7
173.05977	8.2
174.06796	11.2
175.07523	100.0
175.08975	6.6
175.69395	3.0
176.08197	3.7
177.05472	14.3
177.06865	3.4
177.09111	23.9
179.07048	5.7
179.10776	3.9
181.06509	6.7
182.03908	4.1
183.08060	4.1
185.06006	14.3
185.09592	8.1
186.06792	8.6
187.07558	14.8
188.08286	4.0
189.05501	5.8
189.09062	21.4
191.07007	13.8
191.10616	6.2
193.08598	25.7
195.08066	17.9
195.10100	10.3
197.05998	10.8
198.06813	9.1
199.03928	4.1
199.07547	15.3
201.05414	9.1
201.09114	20.3
203.07072	13.0
203.10690	9.6
205.08612	7.7
211.07556	5.3
212.08421	5.0
213.05453	12.2
213.09106	16.0
214.06387	5.5
215.07155	9.2
217.04965	3.6
217.08534	17.9
217.12163	3.4
219.10274	4.2
221.04489	3.0
223.07510	12.4
227.07085	13.0
227.10701	10.6
229.08571	22.4
231.10117	17.0
241.08484	15.3
245.04504	6.9
245.08073	24.5
245.11797	9.5
247.09703	9.1
248.08498	3.4
255.10132	11.9
258.09003	3.3
259.09677	5.3
261.11325	5.4
273.03903	6.0
273.11130	37.2
281.36893	2.9
291.05081	6.8
291.08801	18.9
291.12305	77.6
291.19489	8.6
291.22998	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	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03931	0.9
55.05492	3.2
57.03434	0.7
57.07066	3.0
59.04982	2.7
65.03927	0.6
67.05499	4.8
69.03408	1.6
69.07046	1.4
70.24659	0.6
70.25002	2.6
71.04986	3.3
71.51135	0.5
79.05486	4.2
81.07050	7.0
83.04945	2.3
83.08622	3.0
85.06529	2.7
91.05466	5.4
93.06550	0.8
93.07045	8.8
95.04956	3.4
95.08039	0.9
95.08598	11.0
97.06525	3.1
105.07022	8.8
107.04925	4.5
107.08577	6.6
108.05753	0.9
109.06509	4.1
109.10153	3.1
111.04432	0.7
111.08068	23.3
113.09611	1.3
115.05392	0.8
117.07007	2.0
119.04844	0.6
119.08553	7.8
121.06469	1.7
121.10118	6.2
122.07262	2.0
123.04387	1.3
123.08051	38.9
123.11671	1.4
125.09617	1.4
129.06973	0.9
131.08545	4.9
133.06451	4.1
133.10109	7.3
135.08014	4.8
135.11633	2.9
137.09561	3.0
139.03851	1.5
141.05411	1.1
142.07779	1.5
143.08536	2.4
144.09334	1.1
145.10104	11.7
147.08044	1.8
147.11694	5.1
149.09598	6.4
151.07521	100.0
152.07838	0.7
155.10597	1.3
156.09331	2.2
157.10085	3.3
159.07996	1.8
159.11659	2.8
161.09619	3.8
161.13258	1.0
163.11153	3.4
165.09087	0.7
169.10211	0.6
171.11729	2.8
173.09590	1.3
173.13257	3.8
174.10387	2.8
175.11166	4.2
177.09131	2.1
177.12685	1.3
179.10658	5.9
185.13223	0.6
187.11183	2.0
187.14845	1.1
189.12714	28.1
190.13150	1.0
191.10666	1.3
191.14279	3.8
192.11440	4.8
197.11700	13.9
197.13280	1.6
203.14363	1.6
207.13771	67.2
208.14096	1.4
213.16364	1.5
215.14421	3.2
215.16032	0.6
217.12212	3.3
231.17397	1.7
233.15343	12.8
235.13234	2.0
255.17384	2.3
273.18506	5.9
282.23587	0.6
291.08545	0.8
291.19510	36.1
291.27051	1.7
300.39969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.77201	1.4
55.05507	7.1
57.07051	2.0
59.04998	1.9
63.21823	1.3
67.05482	4.2
69.03425	2.3
69.07050	2.2
70.52125	5.7
71.04971	3.1
72.63676	1.5
73.26227	1.8
79.05473	8.5
81.07047	12.1
83.04949	1.9
83.08609	8.1
83.80852	1.7
91.05467	7.0
93.07041	11.6
95.04938	4.5
95.08589	15.4
95.09153	2.0
97.06499	4.4
98.98434	1.6
105.07014	11.0
107.04946	12.5
107.08575	7.8
109.06488	6.0
109.10120	3.0
111.08064	41.1
112.38606	1.5
113.09609	1.9
117.07036	1.4
119.08552	8.7
121.06458	1.8
121.10134	7.1
122.07269	2.0
123.08062	31.7
125.09583	2.7
126.52011	1.3
128.09047	1.3
131.08531	6.8
133.06409	3.0
133.10133	8.3
134.31940	1.6
135.08037	6.5
135.11687	3.5
137.09563	3.1
139.03850	2.5
141.22758	1.4
143.08575	3.1
145.10130	3.6
147.08086	2.5
147.11661	6.0
149.09581	4.7
151.07516	100.0
155.10683	2.1
157.10117	4.2
159.11612	2.1
161.09555	2.4
163.11128	4.1
163.31294	1.4
167.10672	1.9
171.11618	2.7
173.13185	5.2
174.10408	2.6
175.11153	5.2
177.09074	3.8
179.10646	3.6
181.12277	2.2
189.12697	25.3
191.14297	10.3
192.11400	6.2
197.11688	13.4
197.13239	2.9
207.11836	3.5
207.13773	64.2
213.16254	1.6
214.89664	1.5
215.14218	3.4
217.12245	2.1
229.19972	1.6
233.15334	29.6
249.18556	1.6
255.17787	1.5
273.18433	5.7
291.08450	3.5
291.19485	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.34662	3.5
55.01850	5.2
55.05502	20.6
56.96549	8.6
57.07068	4.7
59.04973	4.5
65.48638	3.4
67.05507	22.9
69.03423	5.6
69.07067	34.4
71.04996	7.3
71.08607	3.8
71.52961	7.3
71.53381	4.4
79.05479	24.6
81.03415	5.3
81.07047	64.9
83.04970	6.8
83.08603	12.9
85.02897	5.9
85.06554	4.9
91.05459	19.3
93.07039	62.4
95.04962	13.7
95.08605	65.9
97.06522	8.8
97.10144	7.2
98.97575	10.7
98.98447	4.5
105.07036	31.9
107.04936	12.1
107.08603	46.7
109.06518	31.1
109.10145	28.2
111.08070	9.4
111.11680	4.5
112.09618	3.5
116.98619	8.1
117.06975	6.8
119.04872	5.2
119.08578	24.1
121.06482	5.5
121.10133	62.9
123.04424	32.1
123.08032	8.1
123.11694	22.4
125.09610	12.0
131.08536	10.9
133.10120	17.7
134.99620	6.8
135.08018	12.7
135.11719	29.0
137.09572	8.3
137.13240	5.7
139.03915	43.2
145.10078	12.1
147.04390	15.4
147.11661	12.2
149.09589	24.4
149.13216	14.3
151.07542	14.6
156.09340	4.5
157.10124	6.6
159.08037	8.0
161.13280	10.9
165.05455	10.5
165.12645	5.6
167.10667	100.0
168.44655	3.8
173.13258	10.6
175.11160	9.4
177.00607	4.2
189.12704	4.1
191.10710	7.3
191.14226	7.1
215.14284	6.1
233.15350	21.8
249.18690	4.3
255.17558	4.3
273.18405	14.9
273.21606	6.4
273.25629	6.7
291.05399	4.3
291.08600	17.9
291.19763	29.1
291.23093	14.1
291.26706	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	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03938	5.2
55.05508	22.7
56.51249	1.8
57.07072	3.1
59.04996	2.4
65.03926	1.9
67.05499	40.0
69.07065	17.9
71.53798	2.3
73.91284	1.7
79.05483	74.3
81.07049	53.9
83.04975	2.5
83.08611	11.3
85.01076	1.7
85.06530	4.5
86.63992	1.7
91.05472	29.1
93.07034	100.0
95.04958	6.7
95.08595	31.4
97.06505	2.2
97.10165	5.9
105.04510	1.8
105.07011	21.9
107.08584	66.8
109.06487	2.4
109.10133	17.4
111.08057	2.5
111.11681	2.1
111.78597	1.8
117.07024	3.6
119.08590	17.7
121.10128	48.3
123.08060	2.4
123.11704	7.3
129.06995	2.3
131.08583	8.0
133.10132	14.2
135.08076	2.8
135.11673	57.2
137.09581	2.1
139.03857	1.8
143.08525	3.1
145.10146	5.3
147.11700	11.6
149.09665	4.1
149.13248	34.1
156.80397	1.7
157.10112	4.0
159.11691	5.9
161.09680	2.6
161.13258	8.2
163.11235	2.0
163.14781	14.1
164.04758	2.0
171.11687	4.9
173.13264	2.8
175.11342	2.7
175.14793	5.9
177.12831	2.8
181.36836	1.9
185.13237	4.1
189.12717	2.0
199.14824	2.6
209.15193	1.8
213.16356	2.8
235.16826	3.0
241.19560	5.0
249.18462	4.3
259.17905	1.5
259.20511	9.2
291.08728	5.2
291.19644	8.0
291.23129	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05509	10.6
57.07067	13.8
60.50537	2.2
67.05502	32.6
69.07059	19.5
70.00590	7.6
71.08632	9.5
79.05512	8.9
81.07048	100.0
83.08607	20.8
85.10174	5.1
93.07050	2.3
95.08595	93.7
97.10155	15.9
100.74971	2.3
109.09427	3.3
109.10146	40.3
111.11676	9.1
123.11699	14.9
137.13249	8.2
151.14781	2.4
165.16420	4.8
183.88371	2.0
291.19525	2.6
291.30490	12.4
292.94324	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	293.054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01849	5.2
55.05484	4.6
56.96555	100.0
57.03427	8.9
61.02914	12.3
63.74633	1.7
65.86318	1.8
67.05478	5.5
69.03421	15.9
69.07058	2.8
69.37311	11.5
69.37737	6.3
70.06564	2.9
70.98110	19.1
71.04976	4.6
71.95239	2.0
73.02905	9.2
74.97598	6.3
79.05464	2.4
80.47838	1.9
81.03393	6.7
81.07046	2.2
83.04959	5.0
84.04498	1.8
84.08161	2.7
84.96021	21.5
85.02900	27.3
85.06509	2.8
86.09704	2.1
86.72695	2.0
88.99149	22.4
89.03893	14.3
97.02883	16.3
97.96806	2.1
98.97568	81.5
99.04427	6.2
102.46555	1.8
102.97022	4.8
107.00186	8.2
107.04910	3.1
109.02859	2.3
110.97561	32.9
111.02068	2.5
111.04416	3.5
112.99129	5.8
116.98600	62.5
117.03369	12.1
119.01851	6.7
119.04891	2.1
120.01952	2.5
121.01614	2.6
122.49960	1.8
124.99114	5.9
127.00674	4.2
127.03911	7.8
128.02350	2.0
128.04216	1.9
128.98586	55.4
128.99538	3.0
129.01959	1.9
131.00127	9.9
133.03470	2.5
134.05969	2.1
134.99626	24.0
135.04399	17.8
136.04695	2.5
138.05464	7.7
139.03867	2.4
140.98560	16.6
143.00162	18.5
143.01842	4.2
144.98082	2.3
145.01698	6.0
145.02824	13.4
145.04964	3.0
146.99629	72.0
147.04335	3.3
149.01201	8.2
152.98596	6.8
153.00636	2.8
156.98114	2.4
157.03426	2.0
158.99638	35.6
161.01184	22.0
161.02473	2.3
161.03018	2.1
162.99167	4.1
163.02737	3.5
163.03882	85.4
164.04172	9.1
164.07045	2.2
165.00681	51.3
170.01192	2.3
170.99622	24.7
173.01210	12.1
173.02777	4.4
174.99138	4.4
175.02745	3.3
177.00673	26.1
179.02246	3.9
181.05055	2.6
181.08549	2.4
182.99640	8.6
183.01750	7.3
183.04153	3.0
185.01303	3.2
185.02963	2.6
187.04347	2.0
189.00693	53.5
190.98686	2.1
191.02266	7.6
191.03865	5.1
193.00156	4.7
195.01660	2.2
197.02983	2.7
201.00674	53.9
202.08600	5.2
203.02237	6.3
205.00143	2.8
205.03906	3.0
207.01733	42.3
213.00714	3.0
219.01729	40.6
221.03250	4.4
224.02390	2.8
230.03386	2.6
231.01740	5.7
234.05110	3.3
237.02768	54.4
242.03348	2.1
248.99124	1.9
249.02724	4.6
251.04373	33.2
254.05293	2.4
255.03841	7.2
261.02664	12.7
267.03656	2.7
269.05411	24.6
275.20099	2.1
279.03882	6.0
285.04898	3.3
293.05408	72.5
293.11032	11.9
294.05966	2.7
294.10004	2.6
311.06366	19.3
312.02640	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	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68324	3.5
58.58568	3.6
63.31890	3.2
70.31470	16.1
73.55671	3.4
95.99673	3.2
101.00881	8.1
106.58244	3.6
119.01944	19.8
131.01906	8.9
143.01883	50.0
149.02950	4.0
155.01880	14.5
158.02374	3.9
161.02946	88.9
161.04286	5.4
162.03072	3.9
173.02945	36.6
185.02919	5.1
191.04056	7.9
203.03984	40.0
215.03946	4.6
221.05115	5.0
233.04878	5.4
234.04825	3.4
263.06058	11.4
275.06046	3.9
293.06342	100.0
294.06616	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24276	2.8
54.53061	2.7
71.56020	5.6
82.99882	3.4
97.69196	2.7
101.00880	11.9
103.24106	2.9
104.87898	2.8
113.00840	3.3
115.45315	2.8
116.08656	2.6
119.01899	23.8
131.01913	16.5
143.01869	45.0
155.01868	12.7
159.88370	4.2
161.02933	100.0
161.15240	3.9
162.02989	4.7
173.02950	44.1
184.04573	5.1
185.02948	7.8
191.04005	8.8
203.04012	43.1
215.04037	3.3
221.05060	4.7
233.05048	5.0
262.50342	3.4
263.06091	8.2
275.06277	3.6
293.06326	97.0
294.06970	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	293.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03930	1.0
55.01865	0.3
57.03416	0.7
61.02911	0.5
62.21571	0.2
69.03070	0.4
69.03420	5.0
71.04979	0.4
71.53754	0.3
73.02907	0.3
77.03925	0.4
79.05473	0.5
81.03403	1.8
85.02895	2.5
91.05467	0.3
95.04950	1.1
97.02874	3.9
99.04448	0.5
102.04636	0.3
103.05451	33.5
104.05801	0.3
107.04929	1.9
109.02876	1.1
109.56457	0.2
117.92059	0.2
123.04413	0.2
125.70083	0.2
127.03902	1.7
129.06950	0.2
131.04909	100.0
132.05243	1.1
145.06462	0.6
147.04411	0.9
149.05965	2.0
149.07199	0.4
160.07600	0.5
167.52972	0.2
181.08675	0.2
214.53070	0.2
215.07039	0.4
249.48866	0.2
275.09061	0.7
293.10297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	6.3
55.01857	14.2
55.05505	54.5
57.03418	4.7
57.07052	12.1
63.81631	3.0
67.05491	45.8
69.03436	3.6
69.07062	18.8
70.16368	14.8
71.04977	5.6
72.05524	2.7
79.05054	6.1
79.05489	83.8
81.03428	2.8
81.07055	38.3
83.04985	14.9
83.08606	24.8
91.05472	36.5
93.07034	42.5
95.04951	9.1
95.08588	17.5
95.46445	3.5
97.06516	10.2
97.10152	34.0
105.07021	27.5
107.04948	46.4
107.08585	61.3
109.10143	23.9
111.04385	6.9
111.08058	4.5
117.07008	11.0
119.08565	24.7
121.06480	4.6
121.10153	18.6
123.08067	8.1
123.11673	6.1
123.14580	3.6
125.09594	36.5
130.87340	3.2
131.08548	14.1
133.10114	29.9
135.07997	7.5
135.11633	2.9
143.08545	3.4
145.10115	12.0
147.11670	13.6
149.09605	83.1
149.13148	3.7
153.05449	6.5
153.09030	8.3
157.10033	3.5
159.11667	8.0
161.13219	8.6
163.11174	4.7
163.14854	3.5
166.68289	4.1
169.10107	4.3
169.12267	5.3
173.13254	4.3
181.04941	8.4
181.08528	6.3
187.11203	4.8
187.13133	3.7
187.14763	3.3
189.11218	29.1
195.10152	5.3
203.14226	3.2
204.29797	3.4
209.11710	18.7
229.19499	6.1
237.11189	26.9
245.75731	3.5
247.20636	8.0
257.18985	27.0
275.20029	100.0
276.20361	5.4
291.58264	3.4
293.10095	6.8
293.21243	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	5.4
55.01857	4.9
55.05502	17.4
57.03415	3.3
57.07057	2.9
65.03922	2.2
67.05492	29.3
69.07063	22.6
70.93764	4.1
71.04969	4.1
79.05481	36.9
81.03409	8.3
81.07045	100.0
83.04963	4.5
83.08608	19.9
91.05462	20.4
93.07034	20.0
95.04955	18.0
95.08593	22.9
97.06509	7.6
97.10185	2.8
99.08083	2.1
105.07020	26.1
107.04926	6.3
107.08575	15.9
109.06505	38.3
109.10152	11.9
111.08075	6.2
114.07941	2.0
117.06998	6.5
119.08557	20.6
119.09358	2.6
121.06487	5.9
121.10132	11.2
123.08044	7.6
123.11688	4.3
123.63913	1.5
125.09608	3.1
129.06963	3.3
131.08575	8.3
133.10100	15.5
135.08093	3.1
135.11687	5.4
136.40813	1.6
137.09544	3.1
139.11316	2.0
141.06924	2.4
143.08492	2.2
145.10114	10.3
147.11652	15.7
149.09590	7.6
149.13229	4.5
151.11139	5.7
155.08540	2.1
157.10092	4.9
158.99359	1.7
159.11700	7.0
161.09570	1.8
161.13242	2.7
163.11180	8.7
171.11748	2.4
173.09599	2.7
173.13261	3.2
175.11179	5.0
177.12694	2.2
181.08572	1.8
191.10495	2.2
193.12187	3.6
201.12837	1.7
203.14314	1.9
209.11783	2.2
212.88614	1.7
229.19460	4.7
237.11206	3.4
239.17865	3.5
247.20496	3.1
257.18906	4.4
275.20035	59.0
275.23105	2.9
293.10135	3.6
293.21103	30.0
293.28311	2.4
296.66339	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	5.7
55.01858	11.1
55.05506	29.7
56.49482	3.2
57.03429	6.4
57.07063	7.0
59.39582	3.8
60.47221	3.2
67.05497	56.1
69.03419	5.3
69.07056	20.3
70.13939	10.4
70.14347	7.8
71.04983	8.9
79.05054	4.2
79.05482	51.5
81.03405	11.8
81.07050	100.0
83.04987	7.2
83.08603	16.5
85.06512	6.9
91.05476	37.5
93.07036	45.2
95.04977	22.0
95.05511	4.7
95.08595	35.2
97.06499	9.7
97.10145	4.5
103.04153	4.1
105.07020	39.2
107.04944	12.6
107.08579	30.7
109.06497	33.2
109.10141	21.7
113.70119	3.4
117.07012	9.1
119.08574	34.9
121.06477	6.1
121.10149	23.0
123.04413	3.5
123.08055	13.8
123.11690	4.6
131.08606	19.1
133.10112	27.3
135.08031	9.6
135.11687	8.4
137.05980	17.6
137.09550	8.2
145.10107	14.9
145.62514	3.4
147.11623	21.6
149.09590	14.5
151.11169	4.5
157.10143	5.7
159.11684	13.7
161.09610	6.4
161.13199	4.1
163.11165	9.7
165.12717	6.5
173.13216	7.1
191.10599	7.3
209.11751	7.2
226.22733	3.7
229.19724	5.1
237.11154	11.8
239.17841	5.3
257.18994	10.2
275.16998	3.6
275.20041	73.5
278.07739	3.8
293.10333	7.9
293.21182	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	5.5
55.01857	8.7
55.05502	21.3
57.03401	3.1
57.07059	12.8
65.03914	3.8
67.05154	4.1
67.05495	61.6
69.03445	3.6
69.06709	3.3
69.07060	39.5
70.46470	10.7
71.04973	3.3
79.05481	41.8
81.03405	7.6
81.07048	100.0
83.04968	8.0
83.08624	13.8
83.68627	2.6
85.06525	4.2
86.94891	2.4
91.05466	37.3
93.07032	30.9
93.83271	2.6
95.04954	16.4
95.08595	34.1
97.06516	3.7
97.10135	2.7
105.07006	35.4
107.04916	8.7
107.08593	27.1
109.06499	26.2
109.10131	24.1
111.04454	3.3
111.08035	7.0
115.07552	8.4
117.06995	10.4
119.08561	44.2
121.06473	6.1
121.10093	17.9
123.08025	12.7
123.11686	5.4
125.09614	7.1
131.08496	16.0
133.10107	24.8
135.08035	7.4
135.11662	7.1
137.05959	4.0
137.09613	11.1
137.94518	2.6
141.01013	5.4
145.10109	14.3
147.08011	3.0
147.11688	18.2
149.09595	8.9
151.11159	10.6
155.02533	2.8
157.10110	4.4
159.11673	8.7
161.09634	4.6
161.13208	4.2
163.11179	9.5
169.10071	2.9
169.94550	2.8
171.11670	7.8
173.13239	7.4
175.11169	5.1
183.11467	3.4
187.11145	3.2
197.07294	21.1
205.61996	2.6
209.11700	3.9
219.13867	2.6
229.19490	4.1
247.20566	9.4
257.18945	7.7
265.21640	2.8
275.17233	5.0
275.20029	62.7
293.10190	5.0
293.21243	42.1
294.10040	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03951	1.8
54.64563	1.3
54.74205	1.4
55.01864	4.4
55.05507	12.6
57.03419	1.3
57.07068	2.4
58.14762	1.2
65.03916	1.8
67.05497	30.3
69.03441	1.9
69.07062	20.7
69.94190	4.1
71.04976	2.2
74.75542	1.2
79.05486	17.9
81.03413	1.6
81.07046	31.1
83.04983	6.5
83.08611	5.1
85.06535	1.9
91.05468	17.2
93.07034	23.0
95.04949	8.6
95.08031	1.8
95.08596	21.1
97.06528	3.3
97.10152	2.2
98.20763	1.6
105.07019	24.8
107.04930	6.9
107.08574	15.7
109.06515	10.8
109.10142	10.0
116.86530	1.2
117.06984	6.4
119.08549	12.4
121.06461	8.7
121.10123	7.6
123.08064	4.7
123.11696	3.4
129.06973	1.8
131.06644	1.2
131.08543	12.8
131.73073	1.2
133.06445	2.8
133.10120	16.5
135.08057	5.2
135.11700	4.2
137.09616	3.9
143.08507	1.7
145.10112	12.3
147.08043	1.7
147.11659	10.3
149.09598	3.9
149.13242	1.7
151.11198	4.3
155.08652	1.7
157.10118	2.5
159.08095	2.9
159.11653	7.5
161.09624	2.7
161.13217	2.3
163.11191	3.9
165.12706	1.3
171.11714	2.8
173.09660	1.9
173.13240	4.5
177.12656	1.9
187.11200	1.8
189.12787	1.4
191.14307	2.2
201.12672	3.4
205.12259	1.2
207.13811	2.7
219.13774	5.3
229.19566	2.2
231.17554	1.3
233.15321	2.4
239.17957	3.9
247.20636	3.3
257.18964	12.7
275.20035	100.0
276.20413	3.2
293.21082	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.61386	1.2
52.70263	1.4
53.03934	3.2
55.01849	4.5
55.05504	62.2
57.03413	5.0
57.07066	8.1
59.04995	2.3
65.03916	1.8
67.05166	2.2
67.05495	38.1
69.03420	8.6
69.07059	50.8
69.36121	14.8
71.01335	3.0
71.04984	17.5
71.08640	1.4
79.05480	22.7
81.03399	2.2
81.07044	99.3
83.04973	11.5
83.08604	14.4
85.06521	4.9
90.73793	1.3
91.05465	11.9
93.07033	56.1
95.04949	12.4
95.08592	100.0
95.89998	1.4
97.06510	12.2
97.10159	42.4
98.21444	2.2
105.07015	19.6
107.04939	3.5
107.08576	47.2
109.06509	22.3
109.10135	49.6
111.08065	12.8
111.11709	5.6
117.07011	2.8
119.08550	15.7
121.06472	5.8
121.09291	1.9
121.10126	29.9
123.08015	7.0
123.11693	25.6
125.05967	3.2
125.09595	12.3
129.06963	1.7
130.07742	2.1
131.08531	9.9
133.10098	16.9
135.08026	5.4
135.11667	25.8
137.09584	4.2
137.13225	15.7
139.07536	2.1
139.11118	7.5
141.09039	2.0
143.08534	2.6
143.10645	3.8
145.10092	11.3
147.11714	7.8
149.09601	19.9
149.13254	12.7
151.07536	1.6
151.11153	6.2
153.12689	7.2
159.11676	13.9
161.09589	1.7
161.13254	7.0
163.11143	10.1
163.14799	3.5
165.12704	2.7
173.13297	8.5
175.14746	2.7
177.12718	7.3
177.16335	3.7
179.10751	1.5
179.14293	1.7
181.08720	1.7
181.12213	4.9
187.14793	3.9
189.16342	1.8
191.14293	3.7
193.12198	2.1
195.13725	2.0
195.17366	1.9
201.16400	2.2
205.12399	1.7
215.17970	1.7
218.01859	1.4
219.13736	2.8
219.21057	2.8
221.19014	4.3
223.13281	5.9
229.19528	3.0
233.19086	2.1
237.14807	11.9
237.18428	2.2
239.17953	2.0
241.11275	1.4
242.83691	1.8
247.20569	5.5
247.23753	1.2
257.18988	2.9
257.22617	3.4
257.84662	1.2
275.20007	16.2
275.23242	2.9
293.10168	2.2
293.21039	65.1
293.24643	17.3
294.21210	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	4.4
55.01862	7.3
55.05254	2.8
55.05502	34.6
56.96549	3.1
57.03424	4.7
57.07062	5.8
59.04971	2.7
62.63068	2.2
65.03931	3.0
66.98005	2.1
67.05151	3.4
67.05494	41.9
69.03411	4.4
69.07058	35.4
71.04977	7.2
71.56107	3.9
79.05111	2.8
79.05487	32.0
81.03388	3.1
81.07047	100.0
83.04986	3.8
83.08628	13.1
85.06527	3.8
91.05470	19.5
93.07031	35.7
95.04964	15.8
95.08596	77.2
97.06522	11.2
97.10156	33.8
99.04388	2.3
99.08062	4.4
103.27484	2.2
104.73340	1.9
105.07021	27.1
107.04924	7.0
107.08581	36.4
109.06514	18.3
109.10143	39.2
110.57191	2.0
111.08072	5.0
111.11680	3.6
117.06984	6.1
119.08569	19.3
121.06499	6.6
121.10146	17.6
123.08012	7.3
123.11676	19.4
125.09609	10.6
129.06966	3.3
131.08548	13.1
133.10130	16.7
135.08064	6.3
135.11679	15.7
137.09587	4.5
137.13237	8.5
139.11192	2.7
145.10121	11.7
147.11661	11.2
149.09644	15.5
149.13226	9.2
151.07504	2.9
151.11166	7.1
151.14795	5.1
159.11665	8.4
161.13219	4.6
163.11206	6.0
163.14801	2.9
165.09065	4.7
165.12737	2.8
173.13228	6.7
177.12721	7.7
177.16368	2.4
181.08546	3.3
187.11086	2.8
191.14230	3.1
193.12117	2.5
197.13210	3.1
219.13687	3.0
223.13199	3.3
229.19450	4.0
237.14784	6.6
239.18109	2.5
247.20509	3.4
257.18939	8.1
275.20056	47.9
275.23212	3.7
293.10205	7.3
293.17645	4.5
293.21054	42.8
293.24628	8.6
293.27969	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	293.2469
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01853	2.5
55.05500	9.4
57.07055	1.7
65.03941	2.7
65.22206	1.4
67.05495	88.2
69.03437	1.2
69.07055	9.6
70.39822	1.3
71.08635	1.6
71.13129	2.3
73.42472	1.4
76.05578	1.4
79.05482	18.5
81.07047	100.0
83.04977	2.1
83.08606	5.7
85.06525	2.7
91.05466	7.1
93.07029	19.2
95.04934	2.4
95.08592	84.3
97.06511	2.7
97.10129	2.1
105.07024	6.6
105.26112	1.6
107.08575	10.5
107.33822	1.3
109.06490	2.2
109.10139	31.9
111.37935	1.4
117.06986	2.4
119.08579	5.2
121.10136	11.6
123.08080	2.3
123.11692	15.1
125.09624	1.8
131.08548	5.4
133.10100	5.5
135.08081	1.6
135.11670	7.9
137.09601	2.2
137.13234	9.6
145.10110	5.7
147.11693	2.4
149.09633	3.6
149.13226	4.2
151.11182	1.7
151.14787	3.0
159.11679	4.0
161.13211	3.9
163.11108	2.7
163.14806	4.2
165.16339	1.5
173.13257	6.2
177.12753	3.8
187.14789	3.1
191.14394	1.8
191.85872	1.6
237.11156	1.6
237.18793	1.6
243.21080	7.2
261.22162	5.7
275.20239	2.0
293.10007	1.7
293.21338	3.2
293.24713	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03939	1.7
55.05502	18.6
56.19889	0.7
57.03415	2.3
57.07071	9.8
59.04985	1.7
67.05491	28.7
69.03417	3.3
69.03783	0.8
69.07057	30.9
69.97725	4.2
71.04978	1.2
71.08607	1.8
79.05479	10.1
81.07043	100.0
82.07372	1.0
83.04969	1.3
83.08604	11.0
85.02883	1.8
85.06512	2.3
85.57222	0.7
91.05457	4.1
93.07032	16.6
95.04927	1.7
95.08591	89.2
96.08932	0.7
97.02885	1.8
97.06507	3.4
97.10156	14.5
98.21465	1.1
99.08066	1.3
105.07018	5.2
107.08578	18.0
109.06516	1.9
109.10138	41.0
111.08069	2.6
111.11701	3.3
113.06003	0.9
119.08558	5.6
121.10124	13.1
121.10989	0.8
123.08038	1.1
123.11692	26.7
125.09628	3.1
129.07036	1.0
131.08517	1.6
133.10100	2.6
135.11685	8.3
137.05965	2.1
137.09514	1.0
137.13234	44.9
139.11159	3.1
141.09033	0.9
145.10094	2.1
147.11676	3.2
149.09642	1.1
149.13205	7.0
151.11134	2.6
151.14781	3.6
153.12741	1.9
155.14272	0.9
159.11674	2.0
161.13260	2.2
163.11153	2.3
163.14848	2.6
165.12766	1.5
165.16333	1.7
167.10754	1.1
167.14258	1.7
169.12250	1.0
173.13261	1.6
174.06737	1.7
175.07498	0.8
175.14827	0.9
177.12740	2.0
177.16351	3.4
179.00226	1.3
179.14188	1.6
179.24989	0.8
181.12144	1.2
187.14772	0.9
189.09087	1.6
191.14232	1.8
191.17952	1.1
195.13733	2.1
197.01253	1.8
201.16321	2.0
204.35347	0.8
205.15820	1.7
207.33858	0.8
209.15363	2.5
219.17377	2.1
219.21043	1.8
223.16899	2.6
237.18459	6.5
247.24106	1.4
257.22549	3.5
265.25180	2.6
273.08801	3.8
273.58975	0.9
275.20013	0.8
275.23666	4.9
282.09302	1.1
293.10446	1.6
293.13831	4.1
293.21527	1.3
293.24680	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.65299	0.8
53.03925	2.3
54.89268	0.9
55.01857	3.2
55.05504	40.7
57.03418	3.9
57.07070	7.4
58.89249	0.9
59.04979	3.0
65.03925	1.7
67.05495	33.3
69.03419	5.1
69.07059	51.8
70.74313	1.7
70.74673	2.1
71.01341	2.1
71.04985	16.3
71.08604	2.3
73.06570	0.9
77.03986	0.9
79.05482	19.2
81.07047	91.0
83.04958	8.6
83.08610	14.7
85.06526	3.8
85.10210	0.8
87.04482	0.9
91.05470	10.3
93.07032	41.6
95.04947	7.7
95.08596	100.0
97.06517	8.6
97.10157	27.4
99.04425	1.1
99.08068	2.3
101.06042	0.9
101.73286	0.8
105.07014	14.0
106.07343	0.8
107.04955	1.6
107.08579	36.6
109.06506	14.2
109.10143	50.4
111.08060	12.1
111.11709	6.9
113.06022	1.4
113.09612	1.6
117.06956	2.0
119.08578	9.3
121.06476	6.3
121.10133	26.3
121.11007	1.3
123.08065	5.2
123.11691	23.6
125.05972	3.9
125.09614	7.2
125.13251	1.1
131.08545	5.3
133.10100	8.6
135.08028	2.8
135.11684	26.4
137.09601	2.9
137.13232	19.1
139.07527	1.7
139.11150	8.0
143.07079	1.0
143.10640	1.9
145.10091	8.7
147.11667	5.6
149.09567	7.4
149.13254	7.0
151.11127	4.5
151.14783	2.4
153.12747	8.4
155.10594	1.2
157.12080	0.9
159.11678	7.3
161.13223	6.2
163.11150	9.0
163.14789	3.6
165.12740	3.1
165.16403	1.8
167.10628	1.7
169.12073	1.2
173.13184	4.3
175.14801	3.2
177.12727	6.7
177.16383	3.6
181.08511	1.4
181.12231	5.1
183.13734	0.9
187.14833	2.6
191.14278	2.3
191.17821	1.7
195.13766	1.3
195.17415	3.1
199.14668	1.3
201.16357	3.0
203.17990	1.9
205.15915	0.8
209.15404	0.9
217.19455	1.3
219.13704	2.0
219.21152	1.2
221.18964	4.7
223.13225	1.7
223.16875	1.7
229.19402	1.1
237.14890	5.3
237.18378	1.8
247.20601	1.6
257.22699	4.6
265.91803	1.0
275.20062	6.8
275.23605	3.7
293.10349	1.4
293.21057	30.7
293.24677	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	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.00285	0.8
53.03933	1.3
55.01870	0.9
55.05505	15.6
56.96546	1.4
57.03412	1.1
57.07061	5.1
58.87122	0.8
65.03951	1.4
67.05497	28.2
69.03428	1.4
69.07059	24.7
69.23082	9.9
71.04987	2.1
77.47288	1.0
79.05486	12.4
81.07047	100.0
83.04946	1.5
83.08605	10.1
85.06531	5.2
91.05459	4.9
93.07037	15.4
95.04950	1.4
95.08595	73.2
97.06513	2.7
97.10145	10.4
98.97565	2.6
99.08069	3.0
105.07042	5.5
107.04942	1.8
107.08583	15.2
109.06483	2.9
109.10143	40.8
111.08079	2.6
111.11747	4.1
116.98593	2.9
117.69199	0.8
119.08598	5.6
121.06526	1.0
121.10123	10.1
123.08025	1.4
123.11697	21.6
125.09614	6.7
127.03881	1.7
133.10101	3.2
134.99637	2.6
135.11687	10.4
137.09592	1.3
137.13234	12.7
137.14194	1.2
139.11171	2.1
142.86697	1.0
145.10114	2.2
147.11664	4.8
149.09650	1.1
149.13261	6.3
151.07524	1.5
151.11166	2.8
151.14799	3.6
153.12889	1.1
159.11734	2.5
161.13274	1.8
163.11198	1.5
163.14796	2.8
165.12762	2.4
167.14328	1.4
171.11534	1.0
173.13257	1.6
177.16344	4.8
179.14246	1.0
181.08630	0.9
223.16893	1.3
237.18390	1.1
257.18713	1.0
257.22681	2.5
263.05438	1.2
275.20221	2.2
275.23694	2.8
275.27371	1.4
293.10052	3.0
293.17645	1.3
293.21182	2.4
293.24713	10.4
293.28305	4.5
311.04294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94512	1.0
53.03941	1.5
55.05507	21.5
57.03432	2.4
57.07071	5.9
58.39613	1.0
67.05497	26.4
69.03426	3.0
69.07061	31.3
69.83221	5.7
71.01362	1.5
71.04985	10.5
71.08630	2.7
74.47824	1.1
79.05489	13.4
81.07047	100.0
83.04974	1.7
83.08609	13.2
85.06525	4.9
91.03156	1.1
91.05458	5.2
93.07036	19.6
95.04963	3.4
95.08597	74.1
97.06493	3.6
97.10156	10.7
98.21408	1.3
98.79933	1.1
99.08111	2.5
105.07001	6.6
107.04935	1.3
107.08584	20.0
109.06486	3.4
109.10142	43.2
111.08082	4.1
111.11722	4.4
115.05499	1.2
119.08589	4.2
121.06461	1.7
121.10138	12.9
123.08076	1.8
123.11688	18.4
125.09621	2.5
131.08527	1.4
133.10146	3.5
135.11699	10.2
137.09625	1.1
137.13240	11.6
139.11176	3.2
145.10092	3.0
145.52861	1.4
147.11690	3.0
149.09637	1.7
149.13214	7.9
151.14847	6.9
153.01810	1.3
153.12685	2.2
159.11688	2.4
161.13280	1.9
163.11179	3.9
163.14807	3.7
164.39412	1.3
165.12758	1.6
165.16391	1.9
173.13242	1.4
175.14803	1.7
177.16400	4.1
179.17984	1.4
181.08542	1.4
181.12276	1.5
205.19527	1.6
219.21092	1.6
221.18953	1.2
239.18152	1.5
275.20004	4.7
275.23584	2.3
293.10165	1.7
293.17346	3.5
293.21109	3.1
293.24756	6.0
293.28348	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	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03931	1.4
55.01842	1.2
55.05505	19.7
55.46272	1.0
56.96548	1.8
57.03404	1.4
57.06853	0.9
57.07070	9.2
57.97111	1.0
59.04974	1.2
62.06831	1.0
65.03918	1.8
66.58701	1.0
66.71603	0.9
67.05492	36.6
69.03395	1.6
69.07059	34.1
70.16093	1.0
70.67584	2.7
71.04972	4.2
71.08613	2.7
79.05057	1.1
79.05482	13.8
81.07045	100.0
81.63685	1.0
83.04947	2.1
83.08614	13.3
85.06539	6.5
91.05498	5.0
93.07034	19.4
93.59595	1.2
95.04937	4.4
95.08592	91.9
95.97446	0.9
97.06501	4.6
97.10172	10.8
98.97567	3.7
99.08070	3.7
105.06361	1.0
105.06976	5.2
107.04929	1.4
107.08582	18.7
109.06474	4.5
109.10139	44.6
110.10530	1.2
111.08059	4.9
111.11692	4.7
113.05986	1.3
113.09647	1.1
114.91932	1.1
114.92780	1.1
116.98587	4.2
117.06944	1.3
119.08551	5.5
121.06470	1.6
121.10108	11.8
123.08047	2.6
123.11691	23.7
125.09586	3.2
125.13214	1.3
131.08556	2.1
133.10094	3.3
134.99669	5.5
135.08046	1.4
135.11665	12.8
137.13231	17.2
139.11160	3.4
145.10086	2.0
147.11644	2.7
149.09581	1.7
149.13246	10.1
151.07550	1.4
151.11081	1.1
151.14799	9.8
153.12711	1.6
158.01219	1.2
159.11664	1.7
161.13255	1.6
163.03842	1.2
163.11221	2.3
163.14790	4.3
165.12729	1.7
165.16359	1.7
173.13286	1.9
175.14732	1.5
177.16351	2.9
181.08652	1.6
187.14806	1.1
190.61613	1.1
195.17508	1.3
205.15819	1.7
219.21133	1.4
257.22656	2.0
275.20074	2.9
275.23694	3.1
275.27005	1.7
293.03204	1.9
293.10074	3.3
293.17493	2.5
293.21066	3.2
293.24683	11.5
293.28342	8.3
311.04379	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	294.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82429	0.3
55.57399	0.3
63.02391	0.5
69.03410	0.4
69.27122	2.1
69.27549	1.2
73.02883	0.5
74.55329	0.4
79.05471	1.4
84.08132	0.4
85.02881	0.7
86.06066	0.5
87.04462	0.4
89.03909	6.9
91.05480	0.6
97.02828	0.4
98.06024	0.3
98.20759	0.5
98.44552	0.3
100.78876	0.3
100.96383	0.3
107.04948	2.6
110.58566	0.3
114.05508	1.2
117.03366	9.4
119.04985	0.5
130.38217	0.3
132.06555	1.8
133.04900	0.4
135.04398	21.0
135.50305	0.3
145.02831	13.5
145.03967	0.9
147.04393	1.7
148.04713	0.6
161.07910	0.4
163.03882	100.0
164.04210	1.0
164.07045	0.8
264.31161	0.4
276.08655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
50.80384	0.7
55.05510	2.4
57.07070	31.0
67.05495	2.1
69.07060	100.0
69.40873	2.8
69.41295	4.2
70.07848	7.4
81.07026	0.8
85.06519	0.9
95.04967	1.0
96.08939	0.8
98.99995	4.4
103.03123	0.9
111.04456	0.9
113.01554	2.3
115.07558	27.7
126.99458	10.0
129.01013	16.4
129.01906	1.1
129.16492	0.7
137.05986	5.1
139.00592	1.1
141.01007	18.2
141.02066	1.2
155.02585	7.4
165.35716	0.8
197.07268	69.5
198.07611	1.5
225.06676	4.8
265.47626	0.9
294.10010	25.2
294.21573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.07061	0.6
58.02962	0.3
66.04695	0.3
66.87273	0.2
67.05486	0.9
70.82309	0.6
71.08604	0.2
71.45127	0.2
76.77293	0.2
79.05485	0.6
81.07058	2.1
89.70553	0.2
91.05465	0.6
94.04180	2.3
95.04936	0.2
97.10185	0.2
107.04972	0.4
107.12560	0.2
109.06494	0.4
122.03637	7.3
123.11715	1.7
135.04384	0.2
137.05966	100.0
138.06300	1.6
138.20290	0.2
141.12773	0.2
158.15387	1.2
170.15376	1.8
182.05385	0.2
192.10971	0.2
194.73701	0.2
238.11649	0.2
276.20438	0.3
294.21078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.9
66.04703	0.3
67.05478	0.4
69.07082	0.2
69.41712	1.4
69.42119	0.5
71.08612	1.0
72.72094	0.2
76.44680	0.2
77.39470	0.2
78.90047	0.2
79.05467	0.9
81.07044	1.0
87.88936	0.2
88.07593	0.3
91.05471	0.5
94.04172	2.4
103.09627	0.2
107.04920	0.4
109.06479	0.6
122.03638	7.1
127.92885	0.2
137.05962	100.0
138.06310	1.3
141.12715	2.8
158.15392	1.4
170.15378	0.4
291.91684	0.2
294.20596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0961
Annotation	7-Acetoxy-2-methylisoflavone
Peak:m/z	Relative Intensity
55.05482	2.0
56.96529	0.8
60.23081	0.7
65.03895	0.8
67.05471	2.4
69.03408	0.9
69.07060	3.5
69.07355	0.6
69.79711	0.7
71.04961	1.1
71.10867	1.6
79.05464	2.9
81.07056	6.3
83.04931	1.0
83.08582	1.2
88.07604	0.8
88.48988	0.7
91.05452	4.7
93.07002	3.0
95.04980	3.5
95.08588	5.5
97.06489	1.1
97.10139	1.3
103.05436	2.5
105.03362	2.3
105.07012	1.5
107.04944	27.9
107.05683	1.6
107.08546	1.5
109.10128	2.3
111.04472	0.8
115.05423	1.6
117.06966	1.7
119.04935	4.8
121.02859	7.6
121.06496	1.4
121.10095	1.5
123.04385	2.3
123.11704	1.4
128.06175	1.3
129.06953	2.1
131.04919	13.8
133.02814	1.8
133.10094	1.2
145.06453	3.2
145.10060	1.3
147.04398	14.0
147.11662	1.2
154.60547	0.7
155.04910	1.6
157.06500	1.9
159.04402	4.7
159.06549	0.7
159.11632	0.9
165.07063	1.7
173.05890	1.2
175.03894	1.7
178.07745	7.5
179.08551	11.1
183.04370	1.3
189.06932	9.4
190.07800	1.7
191.08586	1.3
193.10133	1.4
201.05461	2.9
202.07755	2.1
203.08607	5.3
205.10178	1.9
206.07364	0.9
207.08038	33.8
208.08765	1.5
210.02000	1.6
215.08563	3.1
217.06451	14.8
218.07259	2.6
219.08032	0.8
220.05069	1.0
221.05905	1.5
221.09567	4.2
231.07986	8.6
233.09662	1.2
234.06703	2.5
235.07520	100.0
235.46536	0.8
236.08023	2.5
245.06517	1.1
249.09088	18.7
249.11453	1.4
252.07832	1.6
253.08458	1.0
259.07938	2.4
263.07083	1.4
273.03989	0.9
277.08606	11.9
277.21524	1.1
280.07281	1.7
295.09641	58.8
295.13010	2.1
295.22977	0.8
296.10123	1.5
299.80823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0962
Annotation	7-Acetoxy-2-methylisoflavone
Peak:m/z	Relative Intensity
53.03920	1.0
55.01860	1.2
55.05490	2.0
57.07058	1.2
65.03907	0.9
67.05485	1.8
69.07060	6.5
71.56447	1.3
75.13494	0.8
79.05472	2.3
81.07047	5.7
83.08587	0.9
91.05463	4.6
93.07014	2.0
95.04928	2.5
95.08607	4.5
97.02882	0.9
97.06529	0.8
103.05437	3.9
105.03389	8.0
105.06997	1.8
107.04940	27.5
107.08556	1.9
109.10132	3.0
111.11726	0.9
115.05422	4.1
115.61503	0.9
119.04900	5.8
119.08571	0.9
121.02840	7.9
121.10103	1.8
123.04408	2.3
123.11685	0.8
128.06216	1.4
129.06973	1.5
131.04907	19.0
133.02834	1.3
135.11699	0.9
139.11150	1.4
143.04950	1.5
145.06439	2.8
147.04387	16.3
155.04938	5.1
157.06429	1.9
159.04395	3.6
163.07530	1.2
165.06978	3.3
171.04364	4.0
173.05994	2.1
175.03851	1.1
178.07732	8.6
179.08540	13.2
181.06403	1.0
189.06984	8.8
190.07713	1.8
191.08546	1.9
193.10233	1.0
199.03856	8.9
201.05428	1.7
202.07758	2.7
203.08554	4.5
204.36702	0.7
205.10130	1.0
206.07240	2.1
207.08034	34.1
209.09599	1.2
215.08588	3.6
217.05003	1.1
217.06543	11.5
218.07246	2.0
221.09506	3.8
231.08015	8.9
233.09547	3.0
234.06818	4.0
235.07506	100.0
236.07817	3.3
249.09105	14.2
253.08548	1.3
259.07471	2.2
267.10074	2.7
277.08566	16.5
277.21667	1.3
295.09610	45.1
295.20554	2.1
295.26312	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	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03932	6.0
55.01855	9.5
55.05507	33.6
57.07050	13.2
67.05168	6.2
67.05496	77.9
69.07047	30.4
71.04962	7.4
71.08620	48.4
71.53505	6.2
71.53860	4.6
77.60120	3.7
79.05480	50.9
81.03396	7.9
81.07045	70.4
81.59003	3.5
81.59505	3.3
83.04954	12.7
83.08604	24.8
85.02857	4.5
85.19031	3.6
91.05469	30.1
93.07031	69.6
95.04948	12.9
95.08603	50.2
97.06509	10.7
97.10150	13.3
99.08073	43.9
105.07008	22.6
107.04939	6.0
107.08574	51.0
109.06483	4.3
109.10139	32.5
113.13986	4.0
119.08553	13.4
121.10114	41.7
123.11692	4.3
125.09578	6.5
133.10095	16.2
135.11662	52.6
137.09590	4.4
137.13219	4.9
147.11615	8.3
149.13202	20.1
151.11169	19.4
159.11652	9.2
161.13242	12.9
163.11124	8.4
177.12776	3.9
179.14288	100.0
195.13893	5.0
233.22601	8.7
235.17001	6.8
241.19576	3.9
259.20654	5.0
277.21616	57.0
279.23065	6.2
295.22595	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	296.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
56.05007	1.2
66.73371	0.4
69.03405	0.5
70.06570	1.4
70.51822	1.0
71.04980	0.4
78.81712	0.4
79.05488	0.8
81.07051	0.5
84.04440	0.3
89.03907	6.6
90.58656	0.3
91.05484	0.5
98.06040	8.8
99.04449	0.6
104.76448	0.4
107.04937	2.9
116.07072	6.4
117.03364	10.1
134.08102	12.2
135.04391	21.3
136.04745	0.6
145.02818	15.2
145.03972	0.8
146.03049	0.4
147.04361	1.0
148.04706	1.1
163.03874	100.0
164.04242	2.1
195.07893	0.5
222.06322	0.5
232.09572	0.6
250.06006	0.4
250.11031	0.5
251.07053	1.2
269.07962	0.5
278.10184	14.4
279.06400	1.2
284.34677	0.4
296.11383	0.7
297.07547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1118
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
55.05483	0.6
67.05460	1.4
67.70825	0.5
69.07027	0.6
70.82188	1.4
79.05447	1.2
81.06998	2.0
91.05426	1.6
91.41864	0.5
93.06979	1.5
95.08559	1.2
103.05442	1.0
105.06966	1.0
107.08539	0.6
109.10117	1.3
112.18513	0.4
117.06968	0.8
119.08486	0.8
121.06438	1.8
123.11681	0.6
128.77660	0.5
129.07016	0.6
131.04828	1.3
133.10075	0.5
135.11661	0.6
136.06123	0.5
137.05969	1.2
143.08554	0.5
145.06459	1.5
147.04382	0.9
149.05930	1.6
151.03830	0.9
152.06128	0.6
153.06918	1.5
155.08493	0.8
161.05952	1.2
163.07486	0.6
165.06972	7.7
166.07730	5.3
167.08481	1.1
170.07167	0.5
173.05969	0.6
174.06709	1.1
175.07408	0.6
176.06163	1.9
177.06969	11.2
178.07741	2.6
179.08519	2.4
181.06502	2.6
181.10135	0.7
182.07228	0.9
183.07941	1.4
187.07545	1.0
189.06993	0.8
190.07745	1.2
191.08493	2.2
193.06422	3.6
194.07243	16.2
195.08038	2.3
197.06183	0.5
198.06798	0.6
204.05670	0.9
205.06459	26.3
206.07237	3.6
207.08061	2.5
208.08713	1.0
209.05893	1.9
209.09598	4.9
210.02126	0.6
210.06618	2.4
211.07497	4.0
213.09171	0.8
218.07375	0.7
219.08014	5.3
220.08633	0.7
221.05945	6.4
222.06717	22.5
223.07483	4.0
224.08177	1.3
225.09053	4.2
226.06165	1.1
226.09750	1.0
229.91261	0.5
232.25078	0.5
233.05963	7.6
234.06712	4.6
235.07466	2.6
236.08249	2.6
237.09073	41.8
238.06113	1.2
238.09575	1.5
239.07018	4.1
239.10400	0.5
240.07581	0.8
241.08548	1.4
247.07573	2.9
249.05426	1.1
250.06241	13.5
251.07025	7.1
251.10619	1.8
252.07645	0.7
253.08601	10.2
254.09259	4.5
264.07736	1.8
265.08563	68.8
266.09296	8.6
267.06528	4.0
267.09903	3.1
269.08041	1.5
269.11667	2.9
270.08463	0.5
279.10110	2.4
281.07993	0.7
282.08792	8.9
282.13672	0.6
297.11176	100.0
298.11490	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	297.1119
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
55.05507	0.7
57.07036	0.6
59.69800	0.5
60.95828	0.6
66.61216	0.6
67.05473	1.1
67.77795	0.6
69.03369	0.6
69.07047	1.2
71.13572	1.3
71.13914	1.1
76.35457	0.5
79.05473	1.1
81.07024	2.6
83.04942	0.8
89.53503	0.6
91.05471	1.3
93.07003	1.6
95.04948	0.6
95.08595	1.9
104.30301	0.6
105.06989	1.8
107.08572	1.5
109.10137	1.6
113.92692	0.7
117.07024	0.6
119.08588	0.9
121.06498	0.6
121.10136	1.4
123.04404	0.6
123.11706	0.7
126.79156	0.6
131.08568	1.4
135.11688	0.9
136.06203	0.9
137.05942	1.0
141.07028	0.6
145.06519	0.7
145.10129	0.9
151.55954	0.7
159.11679	1.2
161.05951	0.9
165.06940	6.5
166.07741	5.8
168.61644	0.6
169.10030	0.6
171.11612	0.8
173.13255	1.6
176.06239	2.4
176.07707	0.6
177.06982	18.5
178.07660	1.9
179.08484	1.0
181.06480	1.8
183.08063	0.8
189.06883	0.7
191.08594	1.4
193.06465	2.6
194.07262	21.6
195.07918	2.1
199.14894	0.7
204.05664	1.7
205.06479	44.3
206.07245	3.4
207.08015	1.3
209.09572	3.9
211.07513	4.0
219.08061	2.2
221.05952	6.8
222.06737	30.7
223.07478	4.5
225.09097	1.1
226.09866	1.1
233.05972	13.2
234.06699	7.1
235.07523	1.4
235.56541	0.8
236.08218	1.7
237.09087	60.5
238.09471	1.9
239.07063	4.2
243.20840	0.6
247.07465	1.5
250.03598	1.1
250.06233	22.6
251.07004	10.9
253.08571	2.1
254.09377	4.2
264.07846	2.2
265.08578	100.0
266.09283	15.8
267.06458	2.0
267.09247	0.8
269.11771	2.8
279.10025	1.5
282.08859	6.7
297.11191	98.1
297.22211	2.1
298.11655	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	298.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.1
65.03942	8.8
67.05489	3.9
69.03401	1.9
70.30519	6.8
83.04959	7.6
84.79184	1.9
85.02880	2.6
93.03400	11.4
95.04955	14.4
101.00855	18.8
111.04418	4.1
119.01905	100.0
121.02857	48.6
125.04508	3.0
134.43399	1.8
136.06174	3.6
137.02942	40.8
138.03168	1.8
139.03870	4.6
142.03488	2.3
166.07243	2.7
169.03461	5.5
171.05008	7.3
179.01846	2.9
183.05066	2.1
195.04991	10.1
197.02936	15.9
198.02985	2.2
203.01848	6.4
211.04510	11.4
213.06038	6.9
215.03947	16.4
221.02931	32.8
222.03038	1.8
229.05501	3.9
233.05090	2.3
239.03943	16.9
244.04478	1.9
257.05045	57.7
275.06076	92.2
298.07504	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0964
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.23624	0.3
61.01143	5.9
67.74040	0.2
69.03430	0.4
69.89530	1.7
69.92518	0.2
71.92142	0.2
74.86546	0.3
75.02698	2.3
83.53624	0.3
88.00407	0.3
89.10795	0.3
94.04042	0.7
97.02883	1.5
101.89709	0.2
103.02123	0.3
119.03548	0.8
127.62960	0.3
136.06169	100.0
137.04674	0.3
137.06509	0.9
145.03165	1.4
163.04248	1.4
188.33643	0.2
213.35931	0.3
298.09665	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	298.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86177	4.0
56.96552	11.1
57.63386	3.8
59.04996	59.3
61.01136	5.4
69.03419	6.7
71.54424	6.0
73.02890	3.4
83.04975	5.1
85.02882	11.7
89.03898	5.5
95.04939	5.5
97.02879	5.2
98.84747	3.7
101.06008	53.1
107.52734	3.6
110.21417	4.3
116.98643	3.9
117.03426	4.9
118.18054	4.4
119.01905	13.8
119.07071	22.6
121.02869	4.7
135.04424	7.4
136.06169	100.0
152.05724	5.5
161.01198	5.1
163.03925	31.9
166.07227	51.6
167.05638	4.7
189.00595	3.9
239.11436	6.9
251.94310	4.7
267.99857	9.4
275.06119	13.3
284.02927	5.6
299.05853	22.0
300.06204	13.9
301.05753	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85140	2.8
53.00308	18.8
53.03937	8.4
55.01852	8.6
55.05505	65.8
57.03429	42.2
58.21972	2.8
59.04988	9.1
67.05497	38.0
67.79794	3.0
69.03407	5.8
69.07040	6.8
71.01324	10.6
71.04994	4.5
71.56934	5.9
79.05483	30.2
81.03407	22.2
81.07044	54.4
83.04959	9.0
83.08605	31.9
85.06536	5.5
91.05465	58.6
93.07029	37.2
95.04964	13.7
95.08591	13.7
97.02874	11.2
97.06521	9.4
97.10137	3.5
99.00806	68.0
103.05476	3.9
105.07016	50.3
107.04942	16.3
107.08556	19.3
109.02861	24.8
109.06493	6.2
109.10139	15.2
111.04419	3.7
111.08071	11.9
115.03939	7.6
115.05444	3.7
117.06996	13.3
119.04924	3.5
119.08565	29.3
121.02837	3.7
121.06453	18.3
121.10126	4.8
123.04411	5.9
123.08092	5.5
123.11683	7.1
127.03900	9.3
128.06194	4.0
131.08585	5.0
133.06444	4.3
133.09087	5.0
133.10104	100.0
135.11703	3.9
137.05978	5.9
137.09529	3.7
139.07532	7.9
143.08513	10.4
145.06485	4.0
145.10121	3.0
147.08028	4.7
151.11145	35.8
161.09595	50.9
165.09163	3.7
171.08029	14.0
173.13344	4.8
179.10658	42.5
189.09081	37.9
195.06529	3.1
197.11728	15.4
207.10170	15.4
225.11162	51.8
243.12122	3.8
267.15881	3.7
299.09378	7.0
299.14899	84.5
299.20044	4.3
299.23672	3.6
300.15344	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02669	2.6
53.00304	17.0
53.03938	6.0
55.01888	12.5
55.05263	4.0
55.05507	58.7
57.03432	44.4
57.07069	3.3
59.04990	4.6
62.63378	2.2
67.05496	52.6
69.03409	8.0
69.07060	12.1
70.06336	11.9
71.01338	7.7
71.04971	2.6
71.08636	2.9
73.33756	2.3
79.05482	29.0
81.03405	17.6
81.07052	68.8
83.04971	8.5
83.08611	31.7
85.06532	3.4
91.05468	69.8
93.07030	41.8
95.04971	15.6
95.08597	22.1
97.02885	15.4
97.06526	10.1
97.10158	11.2
99.00809	67.4
101.02342	3.7
103.05447	4.6
105.06380	4.5
105.07027	50.9
105.07737	1.8
107.04945	13.7
107.08578	22.3
109.02857	24.8
109.06517	7.4
109.10162	21.0
111.04434	5.9
111.08080	11.5
115.03912	8.2
117.07008	12.4
119.08571	33.0
121.06490	15.2
121.10127	5.0
123.04404	5.4
123.08033	2.8
123.11697	10.7
125.09595	5.3
127.03910	14.7
128.06250	5.2
131.08569	10.1
133.06558	4.6
133.10115	100.0
135.08047	4.5
137.06006	2.8
137.09550	4.9
139.07541	6.7
141.17076	2.6
141.65718	2.5
143.08600	14.1
145.06528	3.1
145.10118	7.2
147.08054	3.7
151.11166	35.0
161.09612	55.3
171.07996	12.9
179.10637	35.5
189.09044	29.7
195.06450	3.5
197.11711	16.0
207.10156	12.3
225.11191	42.8
243.12321	8.6
246.97064	2.8
271.15329	6.4
299.09692	3.7
299.14899	75.2
299.19919	3.7
299.27356	7.1
300.15198	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	10.3
53.03934	10.4
54.87313	3.4
55.01853	10.3
55.05506	61.3
57.03430	46.5
57.07057	19.3
59.04982	7.6
59.44193	3.6
62.06065	6.5
65.03938	5.1
67.05158	4.4
67.05495	51.6
69.03408	9.2
69.07056	12.2
71.01332	13.0
79.05478	40.8
79.72626	4.3
81.03406	17.5
81.07045	62.6
83.04948	14.4
83.08604	42.8
91.05464	62.0
93.07035	43.5
95.04958	17.2
95.08581	18.9
95.45327	4.0
97.02878	10.4
97.06508	13.9
97.10129	8.0
99.00807	58.1
99.04429	5.2
105.07014	57.8
107.04948	18.7
107.08585	35.9
109.02875	26.5
109.06490	11.9
109.10154	21.4
111.04433	5.7
111.08065	7.1
115.03928	6.5
117.07008	13.0
119.04891	3.8
119.08562	50.0
121.06492	17.4
123.04470	5.9
123.11702	5.6
125.09628	6.1
127.03921	12.8
129.06958	5.7
131.08600	6.5
133.06471	6.6
133.10117	100.0
135.08037	5.8
137.05983	5.9
137.09595	11.3
139.07521	5.3
143.04478	4.0
143.08559	16.3
145.06400	5.3
145.10152	5.0
151.11172	41.4
153.07024	6.2
155.08545	9.3
157.10149	4.9
161.05913	5.7
161.09605	57.4
165.09108	7.4
167.08527	5.8
169.10072	9.3
171.08044	15.3
179.10686	39.7
182.10840	5.7
183.11641	17.5
189.09103	43.3
195.06610	5.1
195.11740	6.6
197.11667	13.9
197.13271	25.2
207.10127	14.0
207.11761	5.5
210.14171	5.0
211.14838	6.7
221.13226	4.9
225.11150	56.3
239.14297	5.8
239.17813	15.5
243.12102	6.5
257.15494	6.5
271.15408	5.2
274.22165	4.2
281.19061	5.6
299.05807	10.1
299.09103	11.9
299.12225	7.7
299.14966	95.7
299.20096	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1637
Annotation	Auraptene
Peak:m/z	Relative Intensity
53.03934	1.0
55.05495	2.9
57.03413	1.6
57.07054	1.8
67.05499	5.8
69.07049	1.6
71.01345	1.5
79.05476	4.4
81.07050	14.3
83.08594	1.5
84.57626	0.8
91.05469	11.1
91.53908	0.8
93.07018	3.0
95.04921	1.5
95.08592	8.4
97.10159	1.0
105.06995	3.0
107.04945	14.5
107.08573	2.0
109.06488	1.2
109.10127	2.0
110.86845	0.8
117.06986	0.9
119.04928	9.7
119.08546	2.3
125.09653	0.8
131.08551	1.1
133.10075	2.6
135.04398	1.5
137.13225	3.7
145.10069	1.1
152.71925	0.8
159.04416	1.2
159.08098	0.9
161.05898	1.2
161.09515	1.3
163.03886	100.0
164.04306	1.1
189.05408	3.4
195.06412	0.9
201.05515	2.1
203.07010	1.0
215.06981	2.8
224.34772	0.8
299.09125	1.3
299.12122	1.2
299.15994	3.2
299.19766	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	301.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05242	0.7
55.05484	3.4
57.07067	9.5
61.02758	0.8
67.05495	5.4
69.03400	1.5
69.07062	3.3
69.40993	3.7
69.41396	1.9
70.06584	13.8
71.08611	3.1
79.05472	3.8
81.07050	5.6
83.04977	1.2
83.08575	1.0
85.10135	1.3
86.06057	1.2
88.07619	17.0
91.05473	6.5
92.81082	0.8
93.07036	6.4
95.04927	2.7
95.08595	5.5
97.06509	2.1
97.10162	0.7
98.20777	1.3
100.07600	0.8
101.07954	0.9
102.09155	5.4
105.07011	9.4
106.08648	8.6
107.08580	8.2
109.06513	5.9
109.10144	5.0
111.08034	0.8
117.07001	2.3
119.08558	11.4
121.06474	2.3
121.10144	5.2
123.08022	0.9
123.11681	1.1
125.09587	0.9
128.06197	1.2
129.06970	2.2
130.07744	1.0
131.08551	10.5
133.10104	7.2
135.08054	4.8
135.11620	2.3
137.09587	1.0
142.07773	1.0
143.08568	4.0
144.09334	1.5
145.06500	0.6
145.10109	11.0
146.07220	1.3
147.07993	1.3
147.11653	2.7
149.13225	1.4
153.01738	0.7
156.09323	1.2
157.10092	3.3
158.10884	2.6
159.08023	1.0
159.11739	3.8
161.09610	12.5
161.13216	2.2
163.11223	1.2
169.09995	0.8
171.11618	2.1
172.08713	0.7
173.09657	0.8
173.11736	1.1
173.13235	19.1
175.14801	2.2
179.08556	1.0
183.11678	1.8
185.13217	1.5
187.14818	1.1
189.12668	1.0
191.14325	4.9
194.10924	1.5
195.11647	0.9
197.13159	0.8
199.14763	1.7
201.12747	1.4
209.13251	2.3
213.12651	0.8
213.16327	1.5
217.04831	0.9
218.02051	1.5
223.14830	1.3
227.14236	0.9
233.04430	1.8
255.20871	0.7
258.05148	1.2
265.19424	1.6
283.20493	4.3
283.28259	3.5
284.29401	6.2
286.04645	1.3
301.03439	1.6
301.07031	5.3
301.21570	9.1
301.29272	2.2
302.30490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2522
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.01862	4.4
55.05504	22.3
67.05494	35.8
69.07064	14.3
71.04993	3.7
71.53452	3.9
79.05487	22.2
81.07053	64.6
83.04972	8.8
83.08608	8.0
85.06543	4.7
91.05466	27.7
93.07037	47.1
95.04967	3.8
95.08598	56.2
95.96629	2.9
97.06503	8.1
97.10179	6.7
105.07022	48.0
107.08589	40.5
109.10157	40.9
111.04415	5.9
117.07006	6.6
119.08557	30.1
121.10127	29.2
123.11710	13.2
129.06978	3.7
131.08554	27.2
133.10112	57.5
134.03641	3.6
135.11702	33.6
143.08551	8.1
145.10097	27.2
147.11676	40.1
149.13257	26.1
151.11182	11.6
155.26056	2.9
157.10138	6.9
159.11667	51.1
161.13246	40.8
163.14810	9.8
165.12737	25.5
173.13234	30.4
175.14830	22.8
177.12766	4.3
185.13243	8.3
187.14790	15.6
189.16330	6.6
191.14374	5.0
199.14819	4.8
201.16411	13.7
203.17891	5.5
213.16376	8.3
215.18037	5.7
217.04988	8.6
223.88377	3.3
227.17926	11.8
229.05011	4.6
241.04956	6.9
241.19441	6.2
245.04504	4.0
257.22668	14.8
258.05200	7.0
269.04443	6.8
269.11792	4.4
273.04001	6.7
283.24188	100.0
284.24518	4.9
286.04654	18.4
301.03421	16.3
301.07080	43.5
301.14246	16.1
301.17517	3.9
301.21631	11.7
301.25241	61.4
301.29190	11.7
302.04282	3.4
302.07538	4.4
302.30429	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.087
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
55.01871	0.9
56.96563	3.9
57.03440	0.8
61.02911	1.9
67.05495	0.8
69.03420	2.9
69.60811	2.7
69.61221	1.1
70.06583	3.1
73.02915	0.7
78.03420	1.0
81.03399	1.4
83.04967	0.6
83.68618	0.5
84.08125	0.4
85.02896	7.9
86.09671	0.5
91.03941	0.7
95.04958	0.8
96.04469	0.7
97.02881	3.0
97.06503	1.4
98.97559	1.4
99.04444	0.6
103.35604	0.5
107.04942	1.1
109.02859	0.5
110.07176	0.8
111.04445	0.5
111.08044	0.7
112.07607	0.6
116.45470	0.5
116.98602	0.9
122.02390	1.0
122.06071	1.2
122.97444	0.6
124.07557	0.8
127.03920	1.5
127.08710	0.8
129.10214	0.6
131.04948	0.8
133.06520	0.5
134.06001	1.8
135.04422	1.7
135.06822	0.5
136.07574	0.6
139.03918	0.6
140.03412	100.0
140.07021	3.2
141.03775	1.1
142.08501	0.5
143.00209	0.6
145.02800	0.6
145.04939	0.9
147.04472	0.8
149.04878	0.6
152.07066	2.9
153.01781	0.5
159.04408	1.1
161.01163	1.2
163.03880	4.0
164.04195	0.9
164.07037	0.7
168.06544	0.6
169.50665	0.5
177.00700	1.1
177.05443	0.7
182.25960	0.6
219.03017	0.6
252.41486	0.5
256.06454	1.0
271.08640	0.7
273.08932	1.4
285.04468	0.7
297.06509	0.9
302.07440	1.6
302.12326	0.9
303.04950	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	303.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.7
61.85454	0.3
70.74346	1.3
80.34021	0.3
83.38583	0.4
98.97580	1.4
101.00858	1.0
116.98614	1.5
119.01100	0.7
119.01905	7.7
120.02000	0.5
121.01664	0.5
124.50636	0.3
134.99675	1.4
137.02936	2.8
148.12590	0.4
150.40395	0.4
161.02913	0.4
167.07043	0.6
177.00937	14.9
178.01024	3.6
179.00670	2.2
182.99835	0.7
201.00966	1.2
203.00778	0.4
209.00070	0.5
209.99680	0.4
217.04135	2.0
218.03735	1.7
219.01987	23.3
220.02080	6.3
221.01761	7.3
222.01903	2.3
222.03841	0.4
223.01530	0.5
224.99046	0.5
225.00743	2.1
226.01147	0.5
236.99516	0.6
242.03697	0.4
243.01920	7.0
244.02170	1.6
259.00009	0.4
260.00140	0.5
261.03024	100.0
262.03171	28.9
263.02850	4.8
264.03336	0.4
277.01099	0.5
278.01123	0.4
279.00729	1.6
282.99985	0.7
284.04626	5.0
284.99820	1.7
285.04602	1.6
288.50909	0.5
289.99283	0.4
301.00989	1.6
302.01495	0.6
303.00821	3.6
303.05414	6.9
304.05518	0.6
321.04626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.89315	0.2
55.01862	0.4
65.03937	0.4
67.01855	0.4
68.99784	2.6
69.03442	0.3
70.65528	0.4
70.65894	0.5
75.03790	0.2
79.93956	0.2
81.03411	0.7
84.99050	0.2
86.38516	0.2
93.03389	0.8
95.04954	0.9
95.77151	0.2
97.02921	0.2
105.03373	0.6
107.04919	0.3
109.02866	1.6
111.00772	2.2
117.07010	0.6
121.02864	2.0
122.67405	0.2
123.04418	1.1
125.02373	0.2
127.03873	0.5
131.04895	0.5
135.04359	0.5
137.02328	8.7
137.03371	0.5
143.04933	0.3
145.06447	0.9
146.98238	0.2
149.02295	1.0
149.39304	0.2
153.01805	11.7
154.02098	0.3
155.04889	1.0
155.05981	0.3
157.06418	0.4
159.04390	0.6
161.05942	0.9
163.03920	1.5
165.01808	4.3
166.02579	0.5
171.02905	0.3
173.05966	1.7
177.01952	0.2
177.05464	0.3
179.03397	0.4
183.02876	1.6
183.04425	0.9
187.03825	1.1
190.30165	0.2
191.03371	0.3
191.07042	0.3
195.02869	0.7
200.04605	0.2
201.05444	4.8
211.03943	0.4
213.05460	0.3
215.03397	0.3
219.02815	0.2
219.06555	0.5
228.04160	0.8
229.04924	11.0
230.05324	0.3
232.03616	0.3
239.03355	0.6
247.06009	1.4
257.04419	5.5
274.04782	1.4
275.05508	0.2
285.03903	2.8
286.04587	0.2
303.04953	100.0
304.05292	4.8
313.21503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01858	0.3
65.03909	0.6
67.01849	0.4
67.05473	0.2
68.99776	2.1
69.03427	0.3
69.21969	0.5
69.22402	1.9
69.22598	0.5
72.18417	0.3
81.03394	0.9
86.13586	0.2
91.05470	0.3
93.03362	0.7
95.04953	0.8
98.61243	0.2
109.02866	1.1
110.00015	0.2
111.00793	1.9
115.05442	0.3
117.06987	0.4
121.02832	2.2
123.04414	0.6
127.03915	0.4
131.04919	0.5
135.04393	0.5
137.02324	6.1
137.03380	0.5
140.59641	0.2
145.06458	0.9
149.02277	0.6
151.26309	0.2
153.01797	9.5
155.04895	1.0
155.06000	0.3
157.06581	0.3
161.05977	0.7
163.03877	1.0
165.01804	3.9
166.02551	0.4
173.05977	1.3
179.03284	0.3
181.15559	0.2
183.02841	1.4
183.04391	1.0
187.03876	0.8
191.03297	0.3
196.73370	0.2
198.74797	0.2
201.05446	3.9
205.04910	0.5
207.02820	0.3
211.03879	0.3
219.02994	0.3
219.06439	0.6
228.04187	0.4
229.04919	9.2
239.03334	0.4
247.06000	0.9
257.04404	4.3
274.04752	1.5
275.05573	0.5
285.03928	2.2
303.04938	100.0
304.05304	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	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01025	0.2
53.03926	0.3
55.01845	0.4
65.03918	0.8
65.77228	0.2
67.01859	0.6
67.05477	0.4
68.99430	0.3
68.99779	3.2
69.03400	0.3
70.98283	0.5
75.09455	0.2
77.63233	0.2
81.03414	0.9
93.03374	0.7
95.04954	1.1
102.37267	0.2
103.05426	0.3
105.03364	0.4
107.04937	0.3
109.02872	1.4
110.03720	0.2
111.00782	2.4
111.04427	0.2
115.05447	0.4
117.06995	0.6
119.04892	0.2
121.02855	3.0
123.04391	0.8
127.03895	0.6
128.06204	0.3
131.04913	0.7
135.04381	0.7
137.02319	10.3
137.03357	0.5
137.05835	0.2
139.05356	0.2
143.04886	0.2
145.02765	0.2
145.06438	1.1
149.02347	1.0
153.01805	13.8
155.04904	1.8
155.06047	0.3
156.32903	0.2
159.04410	0.3
161.05939	0.8
163.03870	1.8
165.01813	5.4
166.02579	0.7
173.05939	2.5
175.82872	0.2
177.01747	0.3
177.05417	0.2
179.03362	0.8
183.02852	2.1
183.04401	1.4
184.05070	0.2
187.03830	1.4
191.03223	0.4
191.06973	0.4
195.02831	0.4
201.05452	6.1
201.29684	0.2
204.04265	0.2
205.01335	0.2
205.04903	0.6
207.02861	0.3
211.03893	0.8
213.05382	0.4
215.03357	0.4
217.04900	0.3
219.03036	0.2
219.06502	0.8
228.04037	0.8
229.04922	11.4
230.05273	0.3
233.23970	0.2
239.03345	0.5
247.06026	1.3
257.04398	6.3
258.04846	0.4
274.04712	1.8
275.05392	0.4
285.03873	3.0
303.04941	100.0
304.05319	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87851	0.2
53.03914	0.2
55.01865	0.6
64.42841	0.2
65.03916	0.6
67.01859	0.5
67.05494	0.3
68.99783	2.6
69.03434	0.2
70.58633	0.5
70.58987	0.3
79.01854	0.2
81.03408	0.7
91.05494	0.2
93.03397	0.6
95.04963	1.0
103.05403	0.2
107.01244	0.2
109.02861	1.8
111.00798	3.1
111.04444	0.2
115.05474	0.2
117.07009	0.7
119.01335	0.2
119.04971	0.2
121.02858	2.5
123.04429	0.9
127.03873	0.6
128.06248	0.2
131.04919	0.6
133.02841	0.2
135.04417	0.4
137.02327	9.7
137.03360	0.6
145.02814	0.4
145.06474	0.9
149.02306	1.1
149.05913	0.2
153.01808	12.2
154.02124	0.4
155.04893	1.5
159.04434	0.2
161.05969	0.9
163.03888	1.5
165.01822	5.2
166.02513	0.5
173.06001	1.8
177.01723	0.2
177.05478	0.3
179.03395	0.8
183.02863	1.9
183.04395	1.4
187.03865	1.4
191.03461	0.4
191.06961	0.3
195.02907	0.7
201.05453	5.8
202.05899	0.2
202.32162	0.2
205.04947	0.6
207.02837	0.3
211.03900	0.5
213.05371	0.2
215.03325	0.3
217.04968	0.3
219.02841	0.3
219.06470	0.6
228.04156	0.7
229.04936	11.7
230.05293	0.3
232.03621	0.3
239.03439	0.4
245.04533	0.4
247.06018	1.8
257.04416	6.4
258.04819	0.5
274.04675	1.9
275.05377	0.6
275.08591	0.2
285.03906	3.2
286.04379	0.3
303.04953	100.0
304.05289	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.36871	0.3
55.01854	0.4
65.03908	0.9
67.01848	0.4
68.99781	2.5
69.03407	0.4
69.61152	2.0
81.03399	0.7
93.03381	0.4
95.04945	0.8
105.03378	0.3
109.02843	1.6
111.00797	1.5
117.06982	0.4
121.02853	2.1
123.04408	0.6
127.03899	0.3
131.04904	0.6
135.04398	0.7
137.02324	7.6
137.03374	0.4
145.06471	0.8
149.02289	0.9
153.01801	10.5
154.02121	0.4
155.04866	1.4
159.04381	0.4
161.05960	0.7
163.03854	1.2
165.01819	3.1
166.02524	0.4
173.05956	1.7
177.01808	0.4
183.02864	1.6
183.04390	0.7
187.03891	1.0
190.98981	0.3
191.07024	0.3
195.02791	0.4
201.05409	4.2
207.15007	0.3
211.03760	0.3
215.03369	0.3
219.06535	0.5
228.04094	0.9
229.04933	8.8
239.03458	0.4
247.05975	1.0
257.04413	4.5
258.05161	0.2
274.04724	1.7
285.03906	2.0
303.04944	100.0
304.05273	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01860	0.4
57.04628	0.3
60.11497	0.3
61.09076	0.3
65.03924	0.6
67.01851	0.4
67.05477	0.5
68.99773	2.8
69.03417	0.4
69.45583	2.6
79.05511	0.4
81.03395	0.9
81.07043	0.5
93.03417	0.4
93.07036	0.7
94.36165	0.3
95.04955	1.0
98.20704	0.4
105.03343	0.4
105.07003	0.6
106.71243	0.3
109.02883	1.6
111.00777	2.5
115.05464	0.3
117.06980	0.4
121.02853	2.4
123.04404	1.0
127.03892	0.6
135.04404	0.3
137.02325	8.8
137.03366	0.6
145.06467	0.8
147.11713	0.4
149.02318	1.0
153.01810	11.0
155.04907	1.2
161.05949	0.8
163.03912	1.4
165.01836	4.7
166.02533	0.7
171.02940	0.3
173.05957	1.9
177.05476	0.4
179.03369	0.7
183.02879	1.8
183.04398	0.9
185.06046	0.3
187.03880	0.9
191.03416	0.5
195.02766	0.4
201.05443	5.3
205.04982	0.3
207.02966	0.4
219.06517	0.7
228.04109	0.7
229.04932	10.3
239.03532	0.6
247.05994	1.3
257.04404	5.9
274.04697	1.6
285.03873	2.8
303.04953	100.0
303.23059	0.9
304.05255	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
65.03934	0.8
67.01869	0.4
67.05488	0.2
68.99425	0.2
68.99782	2.6
69.03406	0.2
70.69872	0.3
70.70203	0.2
81.03401	0.6
93.03390	0.6
95.04947	1.0
104.74460	0.1
107.01276	0.2
107.04925	0.4
109.02849	1.1
111.00803	2.1
115.05419	0.2
117.06975	0.4
119.04871	0.2
121.02850	2.4
123.04414	0.9
127.03910	0.5
129.06935	0.2
129.88281	0.2
131.04950	0.4
133.06464	0.2
135.04410	0.6
137.02333	7.8
137.03371	0.5
138.02658	0.2
145.06473	0.7
149.02310	0.9
153.01811	11.1
155.04924	1.3
155.06067	0.2
159.04411	0.5
161.05920	0.9
163.03893	1.5
165.01820	3.9
166.02551	0.5
173.05965	1.5
177.01805	0.3
177.05475	0.2
179.03394	0.4
183.02876	1.6
183.04427	0.9
187.03926	0.9
191.03433	0.4
191.06989	0.2
195.02853	0.4
201.05446	5.0
202.05841	0.3
205.04938	0.5
207.02879	0.3
211.03880	0.5
213.05447	0.3
215.03410	0.3
216.29076	0.2
219.02879	0.3
219.06523	0.5
228.04108	0.4
229.04939	10.0
230.05284	0.4
233.04311	0.2
239.03467	0.4
245.04347	0.2
247.05927	1.4
257.04413	5.1
258.04865	0.3
274.04623	1.6
275.05411	0.4
279.13916	0.2
282.63397	0.2
285.03915	2.3
286.04205	0.3
303.04956	100.0
304.05295	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	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99861	10.3
51.75134	11.4
56.96546	29.4
57.03430	46.8
61.02913	74.3
69.03432	65.7
69.77271	70.6
71.04971	18.8
73.02897	40.7
74.80759	13.7
81.04533	24.3
82.04878	14.3
84.96039	13.2
85.02901	100.0
91.03973	13.1
97.02893	56.3
98.97563	89.9
99.04454	12.9
103.02467	13.0
110.97489	13.0
112.11607	13.5
116.98611	44.5
119.01819	69.8
119.52005	11.5
122.07149	20.7
124.27031	13.4
127.03921	31.1
128.02304	25.4
128.98572	20.7
129.18317	12.4
131.01915	29.3
134.99692	14.2
137.02853	12.0
140.08167	50.5
141.06593	12.4
141.08539	40.1
143.01877	20.1
145.04875	12.1
158.99631	22.0
170.99615	22.4
183.02238	26.4
189.00690	30.6
191.03961	26.9
192.02974	19.7
200.04399	39.4
200.98253	40.1
201.00755	12.7
204.02895	38.2
213.03419	55.3
215.00517	13.0
218.99442	17.9
219.01633	20.4
222.03984	30.2
237.02887	22.3
244.99556	17.8
255.03836	13.0
267.17664	14.1
275.05957	16.5
303.04889	31.7
303.08429	72.5
303.13654	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
53.03937	1.0
55.01885	0.5
55.05494	0.7
61.73349	0.4
65.03935	1.1
67.01859	6.6
67.05504	0.7
68.02642	0.6
68.99782	3.0
69.03419	0.9
69.07051	0.5
73.32526	0.4
75.31407	0.4
79.05479	1.2
80.52657	0.4
81.07040	0.6
83.04984	0.8
89.03906	6.4
91.05499	0.6
93.03400	1.4
93.07042	0.6
95.04955	1.6
95.08595	0.9
96.39284	0.4
98.21493	0.9
99.04432	0.8
105.07016	1.1
107.04951	2.3
107.08607	1.1
109.02898	0.6
109.06606	0.4
109.10128	0.6
111.00800	1.1
111.04433	6.3
117.03371	12.1
119.08471	0.5
121.02863	1.8
121.10104	0.7
123.04410	4.6
125.02342	3.1
127.03855	0.5
131.04912	0.9
133.10126	0.7
135.04395	19.0
135.11659	0.5
137.02328	6.6
137.05951	1.4
139.03839	2.3
141.05441	0.4
145.02827	12.4
145.03961	0.7
145.06456	0.8
147.11574	0.8
149.02406	0.5
151.03905	0.5
152.00987	0.8
153.01813	7.5
155.04890	0.7
159.04388	2.2
161.05991	0.6
161.13254	0.6
163.03883	75.2
164.04207	1.0
165.01805	3.2
165.05412	1.8
167.03378	100.0
168.03705	1.4
173.05983	1.3
177.05414	0.5
183.02861	1.8
183.04372	0.8
185.04425	6.8
187.03906	3.4
193.04945	4.2
201.05440	3.6
205.04985	2.6
211.07556	0.4
219.06522	0.5
228.04311	0.5
229.04929	7.3
239.03377	0.4
243.06200	0.6
247.05861	1.0
257.04489	3.1
257.18799	0.4
261.07538	0.7
274.04727	1.2
285.04382	2.2
285.07538	2.1
303.04916	78.2
303.08557	90.7
303.23032	1.6
304.05243	3.6
304.08868	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01869	1.5
65.03931	2.2
67.01847	2.6
68.99783	8.0
70.98994	1.7
70.99311	3.1
75.31198	1.4
77.03913	1.6
81.03426	2.3
95.04938	1.5
97.02899	1.4
105.03422	2.5
106.39646	1.2
107.04945	1.7
109.02864	6.5
111.00804	1.9
115.05428	1.9
117.03356	1.9
121.02884	7.7
123.04418	32.1
127.03901	42.3
129.07004	2.3
129.98755	1.3
133.02846	2.1
135.04376	3.3
137.02354	1.9
139.03917	12.9
141.06912	1.5
147.04419	4.9
149.02322	70.4
151.03883	23.6
151.07518	3.2
153.01794	19.6
155.03365	4.0
157.06482	5.5
161.05956	3.0
163.03864	3.8
175.03926	6.4
177.05478	1.4
178.06264	2.0
179.03358	13.9
179.06975	9.2
185.05931	10.9
189.05473	1.9
191.03407	4.1
199.03793	1.7
201.05377	1.7
203.03355	13.0
203.07083	2.4
206.05779	4.7
213.05437	18.1
217.04945	1.8
231.06506	62.4
241.04913	11.8
244.07294	1.7
259.05997	100.0
260.06638	2.8
269.04498	5.1
275.05353	2.7
287.05453	44.3
287.10217	2.9
288.05606	1.5
290.07907	2.5
305.06442	11.8
305.10178	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
56.96557	5.9
57.03427	1.6
58.99866	1.3
61.02930	2.3
69.03412	2.1
70.06583	1.2
70.73699	0.8
70.74072	1.3
70.98129	0.5
70.99855	0.7
73.02900	1.0
77.00896	1.6
79.05475	0.4
81.03412	2.5
81.04523	4.3
82.99865	2.5
84.96011	0.6
85.02899	3.6
86.99319	0.5
88.99118	0.6
89.00893	0.6
91.03948	0.4
94.99818	0.9
95.01965	0.9
95.04967	0.6
95.06074	2.3
97.02881	3.5
98.16061	0.4
98.97567	3.5
101.00864	15.8
102.96944	0.5
103.02399	0.8
105.00349	1.3
109.02867	1.8
110.01383	2.0
110.97533	0.5
113.00829	4.2
114.05430	0.5
115.02429	2.1
116.01379	0.6
116.98621	2.9
119.01906	58.9
120.02007	1.9
121.01583	0.5
122.01365	1.2
123.01330	0.5
123.02129	0.5
123.04430	1.3
125.01881	0.8
125.07111	4.1
127.02401	1.5
127.03897	3.9
128.01395	1.2
128.98599	1.4
129.03976	1.2
131.01891	38.2
131.05579	1.0
131.52007	0.6
132.01901	0.9
132.02762	0.8
132.52693	0.6
133.01707	0.6
133.03450	4.4
134.01385	0.4
134.99657	1.9
137.01883	7.6
137.02945	11.4
137.51886	1.6
138.01738	0.9
138.02736	0.7
139.02461	0.6
139.03943	0.8
142.03488	1.8
143.01883	24.3
143.07004	0.8
143.08122	15.0
143.51923	0.9
144.02649	1.7
145.01680	0.9
145.03448	17.1
146.02417	1.6
146.03506	0.5
146.99649	0.9
147.01352	2.5
147.05080	0.9
149.01860	1.5
149.02928	8.8
149.06563	1.6
149.52013	0.9
151.03940	1.9
151.07547	0.7
152.02315	2.2
152.52458	0.5
155.01872	44.5
156.02048	1.0
157.03452	10.5
158.02380	1.5
158.52478	0.4
158.99681	1.0
159.05016	0.8
161.02937	50.8
161.06517	1.1
162.02943	2.0
162.99255	0.6
163.04562	4.4
164.02435	1.0
164.52509	0.7
167.01865	3.3
167.02988	0.6
168.05009	0.8
169.03459	4.4
170.02388	1.1
170.99597	0.4
171.04993	2.2
173.02942	100.0
173.52979	0.7
174.03047	2.5
175.03113	0.6
175.04509	5.4
176.03415	1.0
177.00690	0.9
177.02289	0.5
177.47850	0.5
178.06342	0.7
179.02852	2.1
179.06960	2.0
179.53078	0.9
181.03423	0.7
182.03397	2.1
182.53613	0.7
184.04585	3.1
185.02936	31.8
186.03212	1.3
186.09499	0.9
187.02762	1.0
187.04472	8.6
187.08218	0.5
188.03416	1.7
188.53511	0.6
188.97046	1.2
189.00725	1.3
189.06001	0.7
190.98624	1.1
191.03987	2.7
193.00154	0.4
193.03546	0.5
194.03490	1.5
196.04526	6.8
197.02904	8.7
197.04541	0.8
198.03014	0.5
198.05998	0.5
199.04497	1.6
199.54189	0.6
201.00694	0.7
202.98679	0.9
203.03984	21.9
203.07628	1.3
203.54076	1.2
204.04002	0.7
205.00195	1.2
205.54411	0.6
206.04294	0.8
206.05936	0.5
206.98021	1.0
207.01752	0.6
208.99641	0.5
209.03949	1.5
211.04254	0.4
212.04578	0.7
213.00627	0.6
214.54773	0.5
215.03902	8.1
215.07582	1.3
217.05464	1.0
219.01801	1.0
220.99727	0.8
221.03181	0.7
221.05031	3.7
224.04648	3.0
224.54643	1.0
226.05620	1.0
227.02066	0.5
227.04024	5.2
230.04318	0.5
230.98169	1.0
231.01855	0.6
233.05038	5.1
235.01279	0.4
237.02844	0.5
239.06018	1.0
244.07220	0.6
244.55835	0.6
245.05046	52.8
246.05281	2.1
255.01984	0.8
257.04874	1.0
259.06485	0.6
263.06406	3.5
275.06088	5.1
281.01691	1.0
281.05386	0.9
286.07578	0.5
287.05502	0.6
287.10098	0.5
290.07541	0.7
293.07321	0.9
305.06857	7.4
305.10638	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	305.2471
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03953	2.6
54.06912	1.5
55.01857	2.0
55.05257	2.0
55.05506	31.6
57.03424	2.3
57.07058	5.2
67.05157	3.4
67.05494	36.7
68.99789	2.8
69.03424	1.9
69.07063	41.5
70.62189	5.9
71.01353	2.5
71.04967	4.2
71.08621	2.3
74.92237	1.5
77.03883	2.0
79.05482	41.6
81.03441	2.2
81.07050	100.0
83.04969	6.3
83.08623	15.0
85.06527	3.6
85.10181	1.9
91.05462	22.9
93.07037	89.1
94.07333	2.2
95.04963	9.6
95.08595	78.4
97.06529	9.9
97.10163	21.4
99.08066	2.9
105.07021	36.9
107.04913	2.1
107.08583	94.7
109.02876	6.9
109.06517	8.3
109.10146	43.5
111.08090	8.4
111.11742	4.1
113.09608	1.8
117.06979	3.3
119.08575	32.2
121.06470	2.1
121.10137	63.0
121.11008	4.0
123.04429	12.1
123.08020	6.5
123.11681	22.6
124.62780	1.7
125.09612	11.3
127.03906	70.3
128.04257	3.3
131.08527	3.9
133.02812	3.0
133.10106	24.4
134.20290	1.9
135.04358	3.5
135.11684	41.6
137.09607	5.6
137.13255	4.2
139.03893	14.6
139.11176	6.9
145.06487	1.7
145.10100	7.3
147.04353	4.2
147.11676	28.6
149.09592	1.8
149.13245	81.6
149.40692	1.9
150.13574	2.3
151.03902	34.0
151.07510	8.6
151.11186	7.4
153.01863	2.5
153.12650	3.0
155.03380	6.2
157.00482	1.6
157.10196	1.8
159.11656	8.0
161.13240	14.3
163.03935	2.4
163.11195	2.8
163.14816	19.0
165.12675	5.0
167.07152	1.9
173.13249	3.0
175.03940	5.6
175.14815	7.8
177.03224	2.1
177.05475	1.9
177.12773	2.8
177.16391	10.2
178.06198	7.6
179.03392	26.6
179.07005	22.8
181.12219	2.6
187.14752	3.0
189.16365	9.4
191.03337	8.2
191.14294	2.7
191.17897	2.2
193.05002	1.8
193.15747	2.5
195.13744	2.7
199.14809	2.6
201.05452	2.1
203.03297	3.9
205.04926	2.1
205.15796	3.1
206.05797	11.9
209.15443	2.9
213.05511	2.5
213.16245	3.6
219.06514	2.0
229.04761	2.2
231.06412	3.5
235.16911	2.7
241.05121	1.9
244.07359	5.7
248.31694	1.9
249.18575	3.1
257.04233	2.0
259.23950	3.4
266.81357	2.0
269.22626	5.3
275.05457	9.1
277.06973	2.5
277.25302	4.6
287.05530	11.0
287.23569	11.5
290.07916	10.8
305.06409	21.1
305.10165	70.6
305.24710	55.0
306.10495	5.2
306.25024	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	305.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01878	1.6
55.05500	9.7
57.03410	1.2
57.07062	2.9
61.75961	1.1
65.03951	2.3
67.01864	2.5
67.05491	9.3
68.99780	3.1
69.07058	11.7
70.06595	1.1
71.01335	1.9
71.05004	1.3
71.10463	1.6
71.10780	1.4
79.05482	10.3
81.03397	4.1
81.07048	29.2
83.01329	1.7
83.04959	2.4
83.08607	3.9
85.06532	1.8
88.07589	1.2
91.05471	9.6
93.07036	30.0
95.04955	4.4
95.08028	2.2
95.08598	23.8
97.06496	3.0
97.10153	6.7
102.95438	1.0
105.03397	2.3
105.07024	11.5
107.04948	2.5
107.08585	26.4
107.88504	1.3
109.02866	10.4
109.06520	2.4
109.10156	11.0
111.00805	2.6
111.08102	2.2
115.81384	1.2
117.07038	1.3
119.08567	12.5
121.02869	1.3
121.10133	19.8
123.04417	14.5
123.08111	2.0
123.11684	6.3
125.09596	5.0
127.03905	95.0
128.04243	2.3
131.08522	1.8
133.02844	6.0
133.06467	1.3
133.10109	7.7
135.04416	5.2
135.08041	1.4
135.11694	13.7
136.05179	2.1
137.05969	2.2
137.09639	1.9
137.13190	1.6
139.03889	24.3
139.04878	2.0
139.07520	1.1
139.11162	1.2
143.08488	1.2
145.06390	1.3
145.10088	3.2
147.04382	5.6
147.11670	8.0
148.05196	1.8
149.02335	3.2
149.05981	1.5
149.09668	1.1
149.13246	24.9
151.03893	44.5
151.05106	2.5
151.07504	11.7
151.11145	1.6
152.04256	1.4
155.03383	7.6
157.06419	1.9
157.10194	1.1
157.24918	1.2
159.11694	2.6
161.06027	1.5
161.13226	4.3
163.03932	5.3
163.14786	5.9
165.05563	1.5
165.12746	1.1
167.07024	2.5
173.05986	1.4
175.03917	8.0
175.14825	2.1
177.05473	2.4
177.12842	1.2
177.16470	1.6
178.06221	8.1
179.03401	32.3
179.07013	43.1
180.03711	1.3
180.07361	2.1
189.16313	2.5
191.03424	13.3
191.06923	1.5
193.04897	2.0
201.05443	2.7
203.03447	5.9
205.05051	1.7
206.05721	17.2
213.05486	3.0
215.07014	1.5
217.04979	2.6
219.06535	2.7
229.04947	4.7
230.05551	1.4
231.06580	1.8
241.04953	3.2
243.25093	2.8
244.07249	7.4
245.07635	1.7
247.05957	4.7
249.11366	1.6
257.04419	2.2
259.05951	4.2
262.08304	1.4
275.05484	11.9
277.06924	5.4
277.25034	1.6
287.05441	11.6
287.23648	2.5
290.07794	14.5
305.06378	29.2
305.10159	100.0
305.24756	15.8
305.28748	8.0
306.07120	2.0
306.10455	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.1
53.03931	0.1
55.05504	0.2
57.07066	0.1
58.02956	0.2
65.03920	0.2
66.04712	0.3
66.96010	0.1
67.05489	0.4
69.07065	1.6
70.86508	0.3
73.61032	0.1
79.05487	0.9
81.07065	0.8
83.08601	0.2
91.05481	0.6
93.07023	0.3
94.04181	2.2
94.42429	0.1
95.04997	0.1
95.08594	0.2
97.06521	0.4
100.07591	0.3
105.07030	0.3
107.04938	0.3
107.08596	0.8
109.06500	0.3
109.10154	0.9
111.08061	0.2
114.09142	0.7
122.03638	6.9
123.11730	0.2
126.09157	0.4
126.61840	0.1
133.10110	0.8
135.04414	0.2
135.11679	1.1
137.05965	100.0
138.06297	1.3
138.12778	0.2
147.11560	0.1
151.11174	0.4
153.12735	1.1
165.12686	0.1
170.15387	2.2
182.15410	2.3
194.09116	0.1
306.10773	0.2
306.17413	0.1
306.20596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57877	7.3
68.03886	7.3
69.93797	20.5
69.94191	15.0
74.33878	7.1
74.79848	8.6
78.48734	7.7
78.69094	7.0
80.03437	8.0
84.38070	7.4
98.21494	7.7
101.00852	21.0
110.99787	7.1
119.01907	61.4
121.01714	11.8
131.01849	10.3
137.02913	17.8
139.03865	78.9
145.03438	9.2
161.02936	18.3
163.02676	7.4
173.02922	22.8
175.02618	10.7
177.02451	16.0
184.88293	8.0
187.00912	15.4
187.04501	10.5
215.00430	24.9
229.01785	8.0
246.48247	8.4
247.02914	28.0
307.07651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0804
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.50573	0.4
51.72458	0.3
53.00296	0.6
54.47945	0.3
55.01862	0.5
56.72545	0.3
56.96553	0.3
58.57478	0.3
65.03925	1.3
67.05488	0.9
68.21074	0.3
68.99773	1.2
69.03415	0.6
69.86260	0.3
71.07866	0.8
79.05475	0.5
83.04964	1.1
84.04491	0.9
85.02869	0.4
93.03392	1.0
95.04974	1.5
97.02885	0.5
98.20789	0.3
98.97562	0.5
101.00858	1.0
107.04924	1.7
111.04428	1.5
115.02469	0.5
117.03312	0.5
119.01919	2.9
121.02847	1.0
123.04411	1.4
127.03912	0.7
131.04924	1.2
133.02812	1.1
135.04393	3.4
136.02400	0.3
137.02951	0.6
139.03883	100.0
140.04234	1.1
145.02773	0.8
149.05998	0.7
151.03891	4.1
153.01799	0.5
153.05403	1.1
155.01892	0.4
159.04401	3.0
161.02943	0.7
163.03891	11.4
168.99826	0.4
169.05005	1.9
173.02905	0.8
175.62512	0.4
177.05443	3.0
181.04921	4.9
187.00894	0.3
195.06511	2.7
205.04956	1.0
215.00337	0.7
223.06029	1.0
247.03094	1.2
247.06038	0.7
248.95476	0.3
265.07040	0.5
286.72153	0.3
289.07089	0.5
307.08185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0807
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
53.00298	0.4
55.01871	0.4
65.03926	0.7
67.05486	0.9
67.57525	0.3
68.99796	0.8
69.80208	0.3
70.80604	0.8
70.80978	0.6
93.03396	0.8
95.04954	1.5
97.02857	0.4
107.04938	1.1
111.04425	1.4
121.02845	0.8
123.04385	0.9
127.03900	0.9
131.04907	0.9
133.02872	1.3
135.04419	2.5
139.03888	100.0
140.04224	0.6
145.02824	0.4
149.05968	0.5
151.03896	3.5
153.01797	0.5
153.05463	1.0
159.04428	1.9
163.02521	0.6
163.03894	9.9
167.07042	0.4
169.05013	1.5
177.05441	3.0
181.04941	4.6
195.06517	4.2
205.04941	1.0
223.06024	1.3
247.05998	0.6
255.56506	0.3
289.07022	0.6
307.08023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0806
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
53.00298	0.4
55.01867	0.8
55.31561	0.2
65.03926	1.1
67.05496	0.9
68.99783	1.1
69.90318	0.6
69.90731	1.1
79.05509	0.3
83.04964	0.8
92.77896	0.3
93.03389	0.5
95.04952	1.6
97.02881	0.5
103.69225	0.3
107.04936	1.1
111.00797	0.3
111.04405	1.4
121.02843	1.0
123.04405	1.1
127.03904	0.9
131.04922	1.3
133.02844	1.4
135.04382	2.7
139.03882	100.0
140.04207	0.7
145.02824	0.5
149.05969	0.8
151.03899	4.5
153.01825	0.7
153.05428	1.0
159.04413	2.0
163.03889	10.4
169.04971	2.1
177.05486	2.9
181.04936	5.5
195.06540	3.2
205.04958	1.2
212.37123	0.3
217.23207	0.2
219.06438	0.2
223.06033	1.2
247.06085	0.6
289.07004	0.9
305.93646	0.3
307.08151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
55.01864	0.5
55.05501	0.3
56.96550	0.6
61.81977	0.2
64.98304	0.2
65.03930	1.1
65.57584	0.2
65.59139	0.2
65.88705	0.2
67.05495	0.8
68.99783	1.4
70.69362	0.6
70.69688	0.3
71.49581	0.2
78.65457	0.2
79.05485	0.6
81.03382	0.5
82.06518	0.2
83.04976	0.5
84.04472	0.6
89.03897	0.5
93.03378	1.2
95.04980	1.5
98.97580	0.4
102.68917	0.3
107.04961	1.4
111.04458	1.5
117.03362	0.4
121.02876	1.3
123.04443	1.7
127.03882	1.3
131.04893	0.9
133.02805	1.4
135.04398	3.7
139.03882	100.0
140.04221	2.3
145.02831	0.7
149.05934	0.8
151.03877	3.9
153.01788	0.3
153.05449	1.0
159.04370	2.2
163.03886	11.0
164.04283	0.4
167.07050	0.4
169.04912	2.1
177.05458	2.8
179.07008	0.3
181.04939	5.4
194.74689	0.3
195.06514	2.2
205.04980	1.0
223.05931	1.3
247.05962	0.5
265.17496	0.3
289.07047	0.7
307.07901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1283
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01857	2.4
65.03920	0.8
65.06115	0.6
67.05493	1.0
69.91385	2.8
74.86795	0.6
77.86759	0.6
79.05487	1.6
81.03403	1.3
81.07059	1.7
83.04979	1.3
83.06086	2.9
84.04482	2.2
89.40935	0.7
91.05461	4.2
93.07033	1.0
95.05011	0.8
95.08586	0.8
98.98457	1.2
105.07024	1.4
107.04946	0.8
107.08567	2.6
108.04481	1.2
109.02882	1.1
109.10185	0.8
114.10919	0.7
117.07028	1.1
119.04935	9.1
119.08562	1.3
120.04436	0.8
120.77337	0.7
121.06520	1.5
121.10122	0.9
122.06017	1.8
123.04391	1.4
123.08002	0.8
124.07551	1.2
127.03925	1.0
128.68091	0.6
129.06917	1.0
131.08521	0.7
133.06587	0.8
135.08038	2.9
136.07597	1.6
137.09615	0.8
138.05438	1.2
139.03885	5.0
140.07024	2.3
143.08151	5.0
144.06569	2.8
147.04398	25.0
147.08102	0.7
150.96884	0.8
156.65376	0.9
159.07947	1.1
160.07561	1.6
161.09193	3.0
163.03949	1.3
163.08614	1.7
166.08650	0.8
168.06537	2.6
170.06021	0.8
174.09146	2.0
177.10277	0.8
178.08623	14.4
182.08098	1.3
182.09654	0.9
184.07552	2.3
188.07056	4.1
198.09088	2.4
201.10229	3.0
202.08653	6.3
205.09705	4.2
206.08138	2.8
212.07062	1.4
216.10242	2.8
219.07716	1.1
219.11308	4.6
220.09715	3.0
226.08650	2.7
229.09810	5.1
229.11823	1.0
230.08234	3.6
243.11356	1.5
244.09648	4.6
247.10797	12.5
247.13156	1.0
248.09125	1.3
261.12326	2.0
262.10812	1.7
265.11801	13.5
271.10706	1.9
272.09326	0.7
289.11789	15.7
307.12866	100.0
308.13187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2053
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
50.77199	2.0
53.03947	4.3
55.01867	4.9
55.05499	6.0
57.03421	3.3
57.07068	2.3
67.05492	11.7
69.07050	9.2
71.04976	2.2
71.13419	2.5
71.13761	4.1
79.05474	12.4
81.03409	3.8
81.07048	21.3
83.08620	2.5
87.49743	2.0
91.05460	23.5
93.07055	16.5
95.04959	20.4
95.08606	6.5
97.06526	13.8
98.98414	2.5
105.07020	36.5
107.04945	2.8
107.08591	13.2
109.06487	7.1
109.10164	3.1
115.05434	5.1
117.07024	11.2
119.08562	33.6
121.02847	5.8
121.06498	4.3
121.10144	8.7
123.08069	2.5
128.06223	8.9
129.06992	11.8
130.07793	4.3
131.08540	19.9
133.10117	50.3
135.04471	2.4
135.08014	4.6
137.09647	2.4
139.03882	27.3
141.06985	10.7
142.07724	12.9
143.08560	32.8
144.09375	6.0
145.06491	4.0
145.10117	23.8
147.08023	8.7
147.11662	6.2
149.09660	2.4
153.07008	4.1
154.07773	3.9
155.08499	10.4
156.09355	6.1
157.10112	24.5
158.10934	4.5
159.08032	4.0
159.11658	17.1
159.72752	2.0
161.09592	11.0
163.03842	3.0
165.06985	4.9
167.08578	14.1
168.09258	3.9
169.10106	19.5
170.10846	2.6
171.11678	10.9
173.13249	9.8
175.11237	2.3
177.05441	2.6
179.08563	8.4
181.10078	11.3
182.10922	13.8
183.11641	12.3
184.12379	2.6
185.09644	2.7
185.13228	4.1
187.11234	6.3
187.14803	2.5
192.09351	6.7
193.10107	11.6
194.10933	6.5
195.11632	12.8
196.12425	5.5
197.13217	20.4
198.14102	2.2
199.14798	4.8
201.12715	2.9
205.04933	3.0
205.10155	5.1
206.10907	8.2
207.11601	20.9
208.12396	4.4
209.13190	17.7
211.14812	12.6
213.05505	3.1
217.10150	2.8
218.10910	4.2
219.11757	10.8
220.12514	6.6
221.13292	20.2
222.14087	4.3
223.14819	16.2
225.12814	2.5
225.16393	2.8
231.11667	5.9
232.12404	6.8
233.13219	10.0
234.14078	5.2
235.14793	5.6
236.11662	2.1
237.12682	2.7
237.16336	5.6
244.12595	2.5
245.13182	5.1
246.13945	5.8
247.14813	7.0
248.15608	7.5
249.16380	6.2
251.14172	10.5
251.18010	3.4
259.14832	12.0
260.15536	3.9
261.16309	3.6
263.17944	19.8
265.15845	3.7
265.19522	3.2
266.41687	2.3
274.17188	7.1
279.20966	5.2
289.19519	18.8
292.18243	3.1
307.10565	9.1
307.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03945	0.8
55.01871	5.8
55.05258	1.1
55.05506	12.7
57.03419	1.4
57.07054	1.0
59.86982	0.7
65.03922	1.2
67.05167	1.1
67.05501	12.1
69.03413	2.2
69.07063	11.0
69.52959	1.2
69.53358	5.3
71.04989	1.8
71.08606	0.7
72.04469	0.8
74.44842	0.7
76.70406	0.7
79.05484	8.0
79.94574	0.8
81.03421	0.9
81.07048	19.0
83.04964	2.1
83.08597	4.2
85.06547	1.0
91.05478	4.5
93.07027	10.3
95.04958	10.1
95.08047	1.2
95.08603	15.6
97.06522	8.6
97.10146	4.2
99.08083	1.0
105.07021	8.3
107.05030	0.8
107.08598	7.2
109.06509	80.5
109.10151	2.7
110.06831	1.3
111.08075	1.5
117.07005	1.6
119.08582	6.4
121.06494	4.3
121.10114	4.4
123.08061	5.7
123.11697	2.2
125.09579	0.9
131.08545	3.6
133.10124	3.4
135.08029	3.6
135.11647	1.9
137.09625	3.0
139.11189	1.8
143.08551	1.1
145.10107	2.7
147.11674	3.9
149.09605	2.6
149.13252	1.7
151.11177	1.3
159.11664	1.3
161.09587	0.8
161.13205	1.3
163.11162	3.7
165.12711	6.3
171.11780	1.1
173.13254	2.3
175.14732	0.8
177.12671	1.0
191.14288	2.3
197.13274	1.3
215.14201	1.0
216.34720	0.8
233.15381	2.7
251.16409	27.7
252.16670	1.3
261.22110	1.6
271.20416	1.5
279.23309	0.8
289.21561	13.5
291.23129	4.0
298.65912	1.0
307.22647	100.0
308.22873	4.4
308.25888	4.1
324.26923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2627
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.17253	0.7
53.03939	1.3
53.91413	0.7
55.01869	0.8
55.05499	15.9
57.03409	1.1
57.07064	4.8
59.05005	0.8
65.03915	0.8
65.36732	0.7
65.64477	0.7
67.05495	27.4
68.84015	0.9
69.03410	1.0
69.07055	20.7
69.20297	0.7
70.79996	2.2
71.04986	1.6
71.08627	1.8
76.02223	2.1
78.61488	0.7
79.05479	10.5
81.07045	100.0
82.07369	1.1
83.08609	8.8
85.06516	1.4
91.05458	2.6
93.07032	11.3
95.04954	1.8
95.08591	90.8
96.08934	1.0
97.06526	2.3
97.10146	8.9
99.08068	1.8
102.45204	0.7
105.06996	2.9
107.08582	12.3
109.10139	44.4
111.08094	1.8
111.11696	3.1
111.69796	0.8
119.08543	4.3
121.10126	8.5
123.11694	24.1
125.09613	2.3
125.13203	0.9
131.08488	1.0
133.10123	3.2
135.11655	5.0
137.05840	0.8
137.09612	1.3
137.13234	8.3
139.03915	4.6
139.11168	2.9
145.10089	1.2
147.11688	2.1
149.13237	5.0
151.11176	3.0
151.14804	14.4
159.11719	1.9
161.13229	1.7
163.11150	1.7
163.14825	3.3
163.34657	0.8
165.12724	1.3
165.16353	1.8
173.13242	1.5
175.14928	1.8
177.16342	1.9
179.14314	1.6
187.14833	0.9
189.16367	1.1
191.17946	1.6
195.13788	1.1
196.49873	0.7
205.15915	1.0
209.15416	1.0
209.18797	1.0
215.17941	1.0
223.16956	2.1
233.22777	1.2
237.18393	3.9
251.20010	1.0
271.24185	1.8
289.25296	4.2
306.72064	0.8
307.26233	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05502	0.3
56.46732	0.2
57.07053	0.6
58.99560	0.4
67.05492	0.6
69.07057	0.9
69.80637	0.9
69.81068	0.9
70.04063	0.3
71.04965	0.3
71.08611	0.9
76.02212	1.1
79.05449	0.6
81.07046	2.0
84.04472	0.9
91.05473	0.6
94.04183	2.2
95.04953	0.3
95.08588	1.1
95.39605	0.3
100.48948	0.3
107.04932	0.3
107.08543	0.4
109.06521	1.0
115.72220	0.3
122.03628	6.8
125.17228	0.3
135.11745	0.4
137.05959	100.0
137.13223	0.7
138.06281	2.1
155.14273	0.3
162.02220	0.4
165.12784	0.5
172.16940	1.4
175.58553	0.3
179.04800	0.4
184.16951	2.8
291.23151	1.8
295.88019	0.3
308.22324	0.5
308.25784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41334	0.2
53.03950	1.0
53.04156	0.2
53.34747	0.2
57.03424	0.7
59.05005	0.3
65.03929	0.6
67.05493	0.2
69.03424	4.3
71.04981	0.5
71.27583	0.3
73.02924	0.5
76.84354	0.2
81.03410	12.8
83.49118	0.2
85.02900	4.9
91.05473	11.5
92.05795	0.2
97.02859	0.9
99.04435	1.2
109.02868	5.2
119.04932	28.0
120.05240	0.4
127.03921	1.4
141.82758	0.2
147.04395	100.0
148.04736	2.0
162.41795	0.2
165.05457	3.4
205.74590	0.2
218.34380	0.2
249.09251	0.4
277.08655	0.3
291.08600	11.3
292.08835	0.3
309.09769	0.7
326.30341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81064	0.2
53.03925	0.8
55.01852	0.3
55.05508	1.6
57.03418	1.4
64.86475	0.2
65.03921	0.7
67.05492	0.5
69.03421	7.2
69.07064	1.8
70.32582	0.4
70.32926	1.0
71.01339	0.4
71.04984	0.7
73.60307	0.3
76.02215	0.7
77.02513	0.3
79.05458	0.4
81.03410	2.2
81.07052	2.3
83.04933	0.3
83.08614	0.5
85.02892	3.9
85.06524	0.5
87.50281	0.2
89.31551	0.3
91.05470	10.1
93.07023	0.8
95.04942	0.4
95.08587	1.9
97.02881	14.4
97.10158	2.3
99.04436	0.9
100.96774	0.2
101.02348	0.8
105.07012	0.3
107.08574	0.9
109.02853	0.9
109.10118	1.5
113.01656	0.3
119.04931	25.0
119.08552	0.5
120.05254	0.6
121.10110	0.5
123.11720	1.5
125.00654	0.2
125.09635	0.4
127.03900	1.0
133.10136	0.3
135.11655	0.5
137.13225	0.3
143.10651	0.7
147.04391	100.0
147.11674	0.5
148.04744	2.0
149.13226	0.3
163.14928	0.3
165.05461	4.3
235.17014	0.4
291.08542	1.9
291.23230	0.4
309.09579	4.6
309.24133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.61861	0.2
55.01863	0.2
55.05505	0.6
57.03431	0.6
61.02919	0.6
65.03930	1.1
67.05492	0.7
69.03419	4.0
69.07056	1.7
69.37048	0.7
69.37470	1.0
71.04984	0.3
79.05485	0.3
81.03407	4.5
81.03851	0.4
81.07051	1.5
83.08616	0.3
85.02888	2.5
85.06528	0.2
91.05466	10.5
93.07037	0.7
95.04992	0.2
95.08596	1.2
97.02893	1.1
97.06547	0.2
97.10143	0.3
99.04439	0.7
105.07011	0.4
107.04945	0.4
107.08573	0.7
107.70114	0.2
109.02863	2.0
109.10137	0.5
111.08067	0.5
111.11661	0.2
111.95300	0.2
113.55615	0.2
115.40974	0.2
119.04924	26.8
119.08546	0.3
120.05270	0.5
121.10114	0.3
123.11679	0.6
127.03910	1.5
135.11697	0.4
147.04387	100.0
148.04713	2.0
149.13190	0.4
153.12764	0.2
165.05463	2.4
168.79570	0.2
183.04317	0.2
277.08539	0.4
281.11804	0.2
291.08591	4.1
291.26779	0.2
294.97882	0.2
309.09421	1.5
309.27667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
53.05475	0.4
55.01868	0.5
55.05484	0.4
57.03421	0.9
61.02899	0.7
65.03910	1.0
65.75409	0.3
69.03421	3.9
69.87649	0.7
69.88053	1.8
71.04980	0.8
76.02209	1.3
77.45362	0.4
81.02970	0.6
81.03407	7.2
81.07034	0.4
83.04965	0.4
84.04485	0.7
84.08138	0.4
85.02894	4.8
85.97853	0.3
91.05466	9.4
93.07043	0.6
97.02885	1.0
98.20777	0.5
99.04442	0.6
105.07014	0.4
107.04948	0.7
109.02847	2.9
119.04927	25.7
121.02954	0.4
121.10175	0.4
122.06104	0.4
123.04399	0.5
127.03896	1.3
131.42354	0.4
147.04385	100.0
148.04698	1.9
161.02232	0.5
165.05482	2.7
169.17641	0.3
176.87024	0.3
177.05476	0.6
221.06032	0.8
234.06522	0.5
235.07411	0.5
263.07016	1.0
267.61450	0.4
277.08603	0.6
281.07898	0.5
291.08679	5.8
291.13443	0.5
309.07037	0.8
309.10275	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1537
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.55066	0.8
53.03939	1.7
55.01860	4.0
55.05288	1.0
55.05507	9.9
56.35169	0.8
57.03428	6.3
59.04985	2.7
61.02916	9.2
63.41843	0.9
67.05492	2.4
69.03075	1.3
69.03423	19.4
69.07048	2.2
70.89104	2.8
71.04979	2.9
73.02896	4.2
77.24100	1.1
79.05460	1.1
81.03404	9.4
81.07039	1.6
83.08607	24.5
85.02895	100.0
87.04443	3.1
91.03955	5.1
91.05486	2.8
93.07036	1.5
97.02272	1.7
97.02882	24.5
99.04443	3.1
101.09640	15.3
105.06993	2.2
107.08640	1.1
109.02865	9.0
109.06489	1.2
115.05351	1.5
117.03397	0.9
119.04896	7.1
127.03897	22.2
129.06940	1.1
131.08607	1.1
135.08040	1.3
145.04944	22.6
145.06592	1.1
147.04393	22.3
151.07539	1.3
155.08612	0.9
163.05943	1.6
163.07506	1.5
165.05434	1.5
169.06438	1.0
171.08002	1.1
175.07527	2.9
177.05414	1.2
179.51184	1.0
181.06337	1.0
187.07520	1.3
189.09059	1.4
191.07080	1.5
203.07016	1.3
206.07135	1.1
213.08974	1.3
217.08621	2.1
219.08217	1.1
219.10115	2.1
234.06731	1.1
245.08130	1.1
249.09019	1.3
249.11464	1.2
263.09186	2.0
277.08627	1.9
291.12585	1.6
309.10840	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	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.38757	4.2
53.03926	6.5
55.01860	11.6
55.05298	4.7
55.05510	48.6
67.05495	50.5
69.03407	9.7
69.07046	25.3
71.04966	5.9
71.53917	6.4
79.05489	33.0
81.03400	16.1
81.07050	100.0
83.04963	21.1
83.08598	21.5
85.06516	5.2
91.05454	21.7
93.07047	27.6
95.04953	15.1
95.08600	31.5
97.06506	9.6
97.10164	42.7
101.05964	5.3
105.07008	18.9
107.04905	4.9
107.08564	18.4
109.06484	7.8
109.10174	12.2
111.04424	13.6
111.08049	8.6
117.07007	8.6
119.08568	21.6
121.10141	15.1
123.08060	32.4
125.09630	22.6
131.08562	9.6
133.10089	8.8
135.07997	8.6
135.11667	7.8
137.09578	12.0
139.11153	4.3
145.10103	12.9
147.04434	9.9
147.08087	8.1
149.09604	8.3
149.13252	5.8
157.10085	7.1
159.54958	4.9
163.11131	25.3
165.09047	9.6
165.94983	4.4
171.11600	7.1
175.11182	6.1
189.11140	11.6
191.10599	5.3
193.12227	8.0
193.60548	4.7
242.91229	6.0
273.18420	16.5
278.72574	5.3
291.19534	56.7
309.20563	6.1
309.27634	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03920	5.9
54.81377	3.1
55.01871	19.8
55.05281	3.8
55.05505	39.9
57.03426	8.7
57.07063	6.2
65.03908	4.0
67.05151	5.4
67.05499	78.9
69.03411	6.8
69.07059	33.0
71.04978	9.4
71.48906	3.6
71.49249	5.6
73.45441	3.1
76.02220	5.2
79.05489	54.2
79.28248	3.0
79.89208	2.9
80.20828	2.9
81.03426	4.5
81.07050	100.0
83.01333	3.9
83.04988	15.2
83.05393	2.9
83.08611	16.8
84.04510	2.8
85.02879	3.6
85.06532	12.1
91.05468	58.7
93.07038	59.6
95.04964	12.9
95.08597	42.8
97.02885	5.4
97.06523	11.8
97.10152	3.9
99.04467	6.6
99.08112	3.6
105.07019	62.3
107.04943	8.3
107.08581	52.1
109.06509	17.7
109.10146	79.4
110.03084	3.1
111.04411	6.9
111.08055	8.7
113.05972	3.5
117.07004	10.8
119.08563	22.6
121.06498	15.0
121.10120	11.8
123.04463	4.6
123.08050	7.5
123.11693	10.9
125.05956	4.5
129.07014	6.1
131.08591	19.1
133.06448	8.9
133.10112	81.3
135.08057	10.1
135.11673	8.8
137.09586	7.2
139.07545	5.7
142.07755	3.6
143.08536	10.8
145.10123	11.1
147.08006	8.2
147.11664	8.6
149.09602	4.8
151.11162	59.8
157.10168	4.3
159.11690	4.6
161.09619	13.6
161.13301	5.5
169.12209	10.1
171.11702	9.0
179.14214	3.5
181.08621	5.8
199.11227	4.3
203.14302	6.4
209.13287	4.5
227.17821	3.2
245.18991	19.7
255.17290	5.4
263.20053	13.9
273.18451	35.0
291.19528	68.4
291.22784	3.5
292.19656	3.7
293.13718	3.4
309.20670	23.8
309.23840	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03922	1.6
55.01859	5.1
55.05506	30.5
57.03411	1.6
59.04954	1.6
67.05163	1.4
67.05499	16.9
69.03416	3.1
69.07072	10.5
70.61446	5.5
71.04968	1.6
76.02197	4.4
79.05482	14.3
81.03400	2.6
81.07050	20.5
83.04962	4.6
83.08612	14.4
84.04513	2.1
85.06530	1.5
91.05473	12.6
93.07024	12.4
95.01288	1.5
95.04951	5.6
95.08571	8.7
97.06506	2.3
97.10152	24.3
102.13334	1.4
105.07008	8.3
105.50526	1.4
107.04935	4.1
107.08572	9.9
109.06516	3.1
109.10138	5.6
109.72585	1.3
111.04471	1.9
111.08059	1.8
117.06991	3.9
119.08555	8.1
121.06459	3.1
121.10117	4.6
123.08038	10.2
123.11665	1.7
125.09618	18.3
129.07018	3.0
131.08534	5.7
133.06445	3.2
133.10094	3.1
135.08046	2.6
135.11636	1.7
137.09627	2.2
143.08571	3.3
145.10101	3.7
147.08008	4.5
147.11670	2.4
149.09622	2.6
157.10065	1.8
159.11589	1.9
161.09584	2.2
163.11142	2.2
165.09064	4.2
175.11235	1.4
177.76547	1.5
181.12233	1.7
189.11191	12.2
189.12714	2.1
193.12233	1.5
202.12157	1.5
223.13242	2.6
241.84720	1.4
245.18929	2.1
249.14729	2.7
255.17285	2.2
273.18445	11.6
291.19492	100.0
292.19806	4.7
301.01852	1.5
309.20621	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	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03932	4.7
55.01855	4.1
55.05502	13.2
57.03411	6.4
57.07064	2.9
65.03928	2.8
67.05502	21.7
69.07059	19.1
69.70946	17.5
71.04956	3.6
79.05482	33.3
81.03397	5.6
81.07051	44.2
83.04957	2.8
83.08598	4.9
91.05470	35.7
93.06461	4.0
93.07034	64.4
95.04963	50.1
95.08599	40.4
97.06516	16.5
103.05437	5.4
105.07019	83.0
106.07322	2.8
107.04950	2.7
107.08575	36.9
109.06491	11.4
109.10139	20.3
115.05426	5.4
117.07006	12.4
119.08571	63.5
121.06467	9.9
121.10128	100.0
123.08046	11.5
123.11704	5.7
128.06166	11.3
129.06972	11.6
130.07748	7.5
131.08556	38.7
133.10115	39.5
135.08066	3.0
135.11684	8.6
141.06975	5.4
142.07762	16.1
143.08569	30.9
144.09308	7.9
145.06438	3.5
145.10095	50.1
147.08012	3.7
147.11650	12.9
153.06996	4.7
154.07785	3.5
155.08479	15.1
156.09326	10.8
157.10118	34.7
158.10802	4.5
159.11667	38.1
161.09607	11.5
161.13257	6.6
165.06897	4.1
168.09361	5.0
169.10135	20.5
170.10942	4.2
171.11681	19.4
172.12401	3.4
173.09705	3.2
173.13258	16.5
175.11180	3.2
175.14812	6.7
179.08589	4.2
181.10086	9.6
182.10815	3.4
183.11678	15.0
185.09674	2.8
185.13272	13.8
187.11169	8.7
187.14803	16.8
189.12694	3.7
193.10143	7.3
194.10934	2.9
195.11674	13.5
196.12442	5.5
197.13148	15.9
199.11179	3.4
199.14809	10.4
201.12650	3.0
205.10155	3.8
206.10913	3.1
207.11662	4.9
209.13203	8.5
211.14781	13.4
213.16386	5.3
215.14282	3.5
220.12325	3.2
221.13181	4.6
223.14777	5.3
225.12822	3.7
225.16411	5.6
235.14795	7.5
237.16386	3.0
239.14352	3.8
239.17938	5.3
241.15721	2.9
249.16214	5.9
251.17900	3.7
253.15959	8.8
265.19537	3.5
266.87393	3.1
281.22629	10.5
291.20993	14.8
309.22089	91.7
310.22473	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	309.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26636	2.4
53.03930	5.0
55.01853	3.5
55.05511	12.6
57.03426	4.4
57.07051	2.7
59.40561	2.0
67.05497	25.0
68.25861	2.1
69.03437	5.7
69.07063	16.7
69.65065	13.9
70.62238	2.3
79.05484	28.3
81.03406	5.1
81.07052	35.1
83.04969	4.6
83.08602	8.5
86.94034	2.0
89.97976	2.2
91.05461	34.3
93.07037	59.3
95.04963	55.0
95.08595	36.0
97.06537	14.5
98.20819	4.6
103.05433	4.8
105.07019	73.1
105.20420	2.3
107.04936	2.3
107.08584	27.2
107.10452	2.1
109.06491	9.9
109.10145	17.1
115.05415	4.8
117.07011	17.0
119.08563	55.6
121.06499	9.4
121.10133	100.0
122.10520	3.3
123.08080	11.6
123.11687	8.7
128.06200	8.9
129.06989	13.6
130.07753	8.9
131.08560	40.4
133.10114	40.6
135.08067	4.9
135.11684	11.0
141.06941	6.0
142.07784	15.8
143.08533	27.6
144.09323	4.9
145.10103	37.3
147.08032	5.6
147.11636	15.4
153.06973	2.5
155.07356	2.1
155.08420	10.7
156.09312	8.3
157.10118	35.1
158.10873	2.9
159.08069	3.1
159.11688	34.3
161.09595	11.0
161.13266	7.3
165.07130	3.0
167.08554	3.8
169.10124	16.4
170.10817	6.3
171.11678	18.1
172.11983	3.0
173.13222	14.4
175.14783	8.4
179.08559	5.1
181.10107	6.3
183.11702	16.7
184.12354	2.8
185.13248	9.9
187.11139	7.4
187.14780	20.3
189.12715	2.8
193.10066	6.4
194.10847	3.5
195.11667	9.3
196.44606	2.5
197.09587	2.8
197.13193	8.9
199.14772	6.5
201.12770	3.0
206.10921	3.3
207.11661	4.6
209.13234	7.8
211.14790	9.3
213.16396	4.9
215.14314	4.0
217.34343	2.3
221.13307	4.6
223.14751	2.7
225.16386	6.8
233.13255	2.7
235.14841	5.9
239.17899	4.7
253.15848	5.7
265.19461	3.7
281.22665	6.7
291.21155	10.8
309.18442	4.6
309.22076	78.4
310.22433	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62381	5.0
55.05496	19.2
57.07070	8.3
67.05499	61.2
69.07062	28.3
71.08333	4.8
71.08629	49.5
71.53705	7.3
79.05486	46.8
81.03404	17.6
81.07051	53.7
83.04989	13.5
83.08603	10.9
87.30974	5.0
90.22067	4.9
91.05475	31.4
93.06459	7.3
93.07029	65.7
95.04945	14.6
95.08593	40.4
97.06532	12.5
99.08086	49.4
100.42546	4.8
105.07011	23.7
107.04951	10.5
107.08590	35.4
109.06523	8.7
109.10137	14.2
117.07042	6.9
119.08569	13.1
121.06487	5.9
121.10146	27.5
123.04389	6.7
123.08075	5.7
131.08551	12.7
133.10118	15.0
135.11678	34.9
145.10127	5.7
149.13190	13.2
151.11150	16.0
159.11664	5.7
161.13203	17.6
163.11171	9.2
171.11676	6.7
179.14299	100.0
235.16963	7.8
277.21628	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	2.1
54.99488	0.7
55.01858	1.4
55.05504	45.1
57.03423	2.0
57.07061	3.6
59.04985	2.3
67.05492	9.3
69.03411	3.9
69.07059	25.2
70.79377	1.9
71.04986	1.4
71.08606	1.1
79.05482	4.4
81.03405	5.3
81.07048	20.1
83.04935	1.3
83.08605	8.3
85.02901	2.2
85.06522	3.7
85.10192	0.7
87.08096	1.1
91.05468	8.8
93.07026	9.2
95.04950	1.2
95.08595	23.1
97.02855	1.0
97.06521	4.5
97.10155	100.0
98.06025	0.7
98.10431	0.9
98.98456	2.3
99.08067	2.1
101.90858	0.7
105.07022	4.4
107.08580	10.3
108.89375	0.7
109.02885	1.5
109.06492	1.5
109.10139	13.7
111.08060	2.3
111.11710	2.6
113.09599	0.8
113.86755	0.8
117.07007	0.8
119.04918	12.2
119.08575	4.8
121.10114	6.3
123.04420	0.8
123.08067	3.5
123.11691	8.0
125.09612	23.5
127.03897	0.8
129.06927	0.7
133.10115	3.1
134.06894	0.8
135.08086	0.7
135.11671	4.8
137.09586	1.8
137.13239	3.1
139.11171	2.4
141.09166	1.1
142.81419	0.8
143.09782	0.7
143.10654	45.1
147.04388	48.6
147.11653	2.3
148.04721	1.3
149.13228	6.8
151.07562	1.6
151.11147	1.6
153.09157	0.8
153.10500	0.8
153.12738	1.7
157.12202	0.8
161.09631	0.9
161.13254	1.6
163.11221	0.8
163.14819	1.8
165.05450	1.7
165.09132	2.6
165.12779	1.5
167.14340	1.0
171.10179	3.3
175.14816	2.4
177.16414	1.0
189.11192	8.8
189.16399	1.3
193.15900	2.3
235.16936	0.8
245.22629	1.6
249.09105	1.3
263.23703	2.7
265.08359	1.0
273.22205	1.6
277.08646	1.4
291.08527	3.9
291.23148	8.1
291.26410	1.4
309.11053	2.3
309.21103	1.0
309.24271	19.6
309.27823	1.9
310.24365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	1.2
55.05504	43.8
57.03421	1.6
57.07068	2.6
59.04984	1.5
67.05494	14.3
69.03418	3.3
69.07059	27.0
70.60282	2.3
71.03564	0.8
71.04980	1.7
76.02222	1.1
79.05471	4.5
81.03419	2.1
81.07045	24.3
83.04980	1.3
83.08610	6.1
85.02892	2.7
85.06529	2.5
87.08087	0.9
91.05458	6.0
93.07041	8.2
95.04957	2.1
95.08598	15.2
97.02875	4.6
97.06508	3.6
97.10157	100.0
98.98455	2.5
105.07026	4.8
107.08570	10.7
109.06552	1.4
109.10143	32.2
110.10529	1.0
111.08103	1.0
111.11710	3.4
119.04929	10.0
119.08572	3.4
121.10125	6.6
123.08110	0.9
123.11691	10.1
125.09612	19.3
125.10526	1.1
133.10132	2.9
135.11684	10.6
137.09650	1.5
137.13249	2.1
139.11169	5.1
143.10660	42.3
147.04391	40.4
147.11653	3.9
148.04825	1.2
149.13255	5.2
151.11200	2.0
153.12700	4.2
153.20996	0.8
157.12216	2.5
159.11642	1.2
161.13297	2.1
163.10989	0.9
163.14787	1.6
165.05533	1.9
165.12773	1.3
171.10126	3.2
171.13800	1.0
175.14803	2.8
189.11212	10.1
189.16330	1.4
193.15744	1.1
197.07899	0.8
215.18065	0.9
234.06552	0.9
235.16928	0.9
245.22736	1.9
249.09132	1.0
263.23682	3.0
273.21967	2.0
277.08585	1.7
281.24738	0.8
283.94577	0.8
291.08533	1.0
291.23160	16.4
291.26230	1.6
302.93414	0.7
309.11035	2.5
309.24252	12.7
309.27573	1.1
310.24149	1.0
331.71320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	1.1
55.05503	23.5
55.05772	1.1
55.90232	0.6
57.03416	2.2
57.07073	3.8
59.04987	2.0
67.05499	16.2
69.03421	2.4
69.07058	100.0
70.07399	1.1
70.52362	1.5
70.52734	1.5
71.04982	2.5
71.08623	1.1
72.43624	0.7
73.06539	1.2
73.55077	0.6
79.05477	6.5
81.03419	1.4
81.07047	45.7
82.07378	0.8
83.04989	1.5
83.08602	7.6
85.02915	1.8
85.06525	5.2
85.10184	0.6
91.05477	4.9
93.07030	13.2
95.04958	1.5
95.08592	28.7
97.06513	5.4
97.09515	1.2
97.10153	25.0
98.06066	2.4
98.98462	2.5
99.08086	2.9
105.07016	7.7
107.08575	14.3
107.09251	0.8
109.06516	1.5
109.10138	34.9
110.10460	1.0
111.08095	2.7
111.11703	23.8
113.09646	1.1
119.04945	4.2
119.08544	4.6
121.10124	13.6
122.10508	0.7
122.41621	0.6
123.04440	0.7
123.08105	1.2
123.11690	17.6
123.12554	1.2
125.09589	4.8
129.12779	2.6
133.10117	4.7
135.11685	9.7
137.05997	0.9
137.09650	0.9
137.13263	4.9
139.11159	19.1
139.12161	1.3
143.10675	6.8
145.10150	0.9
146.74426	0.6
147.04384	14.9
147.05464	0.9
147.11682	3.8
148.04771	0.8
149.13260	6.3
151.11232	1.5
151.14873	1.3
153.12762	2.6
157.12186	4.2
161.13277	2.7
163.11256	1.0
163.14804	4.1
165.12862	1.2
167.14305	0.8
175.14786	1.4
177.16431	1.9
189.11235	2.0
189.16478	1.2
191.18024	0.9
203.18040	0.7
217.19548	0.7
221.09895	0.7
234.06578	0.7
235.16971	2.0
245.22646	1.3
249.09227	1.1
263.23709	1.8
268.95990	0.7
273.22083	0.8
277.08768	2.1
281.11829	1.3
281.24637	0.9
291.23288	8.0
291.26910	3.2
301.13080	0.8
309.08231	0.8
309.11447	2.9
309.24286	5.3
309.27985	11.1
310.23737	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Ethyl linoleate
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	1.1
55.05503	23.5
55.05772	1.1
55.90232	0.6
57.03416	2.2
57.07073	3.8
59.04987	2.0
67.05499	16.2
69.03421	2.4
69.07058	100.0
70.07399	1.1
70.52362	1.5
70.52734	1.5
71.04982	2.5
71.08623	1.1
72.43624	0.7
73.06539	1.2
73.55077	0.6
79.05477	6.5
81.03419	1.4
81.07047	45.7
82.07378	0.8
83.04989	1.5
83.08602	7.6
85.02915	1.8
85.06525	5.2
85.10184	0.6
91.05477	4.9
93.07030	13.2
95.04958	1.5
95.08592	28.7
97.06513	5.4
97.09515	1.2
97.10153	25.0
98.06066	2.4
98.98462	2.5
99.08086	2.9
105.07016	7.7
107.08575	14.3
107.09251	0.8
109.06516	1.5
109.10138	34.9
110.10460	1.0
111.08095	2.7
111.11703	23.8
113.09646	1.1
119.04945	4.2
119.08544	4.6
121.10124	13.6
122.10508	0.7
122.41621	0.6
123.04440	0.7
123.08105	1.2
123.11690	17.6
123.12554	1.2
125.09589	4.8
129.12779	2.6
133.10117	4.7
135.11685	9.7
137.05997	0.9
137.09650	0.9
137.13263	4.9
139.11159	19.1
139.12161	1.3
143.10675	6.8
145.10150	0.9
146.74426	0.6
147.04384	14.9
147.05464	0.9
147.11682	3.8
148.04771	0.8
149.13260	6.3
151.11232	1.5
151.14873	1.3
153.12762	2.6
157.12186	4.2
161.13277	2.7
163.11256	1.0
163.14804	4.1
165.12862	1.2
167.14305	0.8
175.14786	1.4
177.16431	1.9
189.11235	2.0
189.16478	1.2
191.18024	0.9
203.18040	0.7
217.19548	0.7
221.09895	0.7
234.06578	0.7
235.16971	2.0
245.22646	1.3
249.09227	1.1
263.23709	1.8
268.95990	0.7
273.22083	0.8
277.08768	2.1
281.11829	1.3
281.24637	0.9
291.23288	8.0
291.26910	3.2
301.13080	0.8
309.08231	0.8
309.11447	2.9
309.24286	5.3
309.27985	11.1
310.23737	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35207	9.3
55.05494	42.7
57.07056	30.4
67.05482	30.3
69.07065	65.0
71.01904	17.7
71.02236	14.2
71.08617	23.4
77.94469	9.1
78.58713	11.8
81.07056	65.9
83.08601	40.8
85.10181	11.3
95.08586	100.0
97.10162	48.3
109.10159	51.0
111.11752	15.5
123.11681	12.1
125.13279	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.14074	1.0
53.03915	1.5
55.01860	3.1
55.05505	66.7
56.05843	0.9
57.03431	27.1
57.07068	31.5
57.50091	0.7
58.07387	0.9
60.54166	1.1
60.69931	1.0
67.05498	8.5
68.76275	0.9
69.07058	74.9
70.45146	0.8
70.79472	2.4
71.08621	18.2
73.02896	1.6
79.05468	5.8
81.07047	11.6
83.04963	1.8
83.08609	59.7
85.10183	5.5
85.77757	0.9
88.26059	0.9
93.07027	8.6
95.08594	10.6
97.06532	7.0
97.10159	42.2
101.05995	1.0
107.08593	4.6
109.10114	3.2
111.08041	1.7
111.11691	12.9
120.41696	0.8
121.10123	8.8
123.11665	1.4
123.90231	1.1
125.09654	2.7
125.13255	3.4
135.11722	6.6
139.11168	1.9
149.13239	3.4
163.14848	1.2
163.27644	1.1
219.21100	1.3
237.22180	2.1
238.78867	0.9
311.25769	100.0
312.26077	6.1
318.22781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03930	3.5
55.01847	3.7
55.05503	85.5
56.05831	2.3
57.03434	2.0
57.06808	1.7
57.07068	21.8
59.04978	2.9
64.34594	1.4
67.05158	1.8
67.05499	27.1
69.03419	5.4
69.07060	100.0
71.04976	5.5
71.08626	10.1
71.09264	2.4
73.06599	1.4
79.05492	12.0
81.07049	85.2
82.07392	1.6
83.04962	4.4
83.08607	59.8
85.06544	3.2
91.05470	7.8
93.07031	37.5
93.68349	1.5
95.04940	1.4
95.08596	74.9
97.06527	10.4
97.10159	94.1
98.06033	1.4
98.10493	4.1
99.08067	2.8
102.80685	1.3
105.06999	8.0
107.08581	35.7
109.06519	2.4
109.10143	56.5
111.08062	9.0
111.11697	11.0
111.31095	1.3
112.85692	1.5
113.09651	2.5
119.08582	6.6
121.10129	33.2
123.08087	2.1
123.11691	34.0
125.09606	13.1
127.11149	2.1
131.04910	1.7
133.10175	3.0
135.11685	17.5
137.05966	19.2
137.09575	2.7
137.13243	22.7
138.06331	1.9
139.11174	12.6
141.09024	1.9
143.10658	9.9
144.11143	1.5
145.10106	3.2
147.11678	5.8
149.05995	2.5
149.13242	23.1
149.14340	2.2
151.14775	7.1
153.12735	14.4
155.10686	3.4
157.12169	1.7
159.11627	1.7
161.05968	2.5
161.13252	3.6
163.11200	3.3
163.14803	10.1
165.06953	1.6
165.12756	1.9
165.16394	8.4
165.17554	1.3
167.10654	6.4
167.14383	6.6
169.15897	1.8
172.05238	2.0
173.13208	1.5
175.14778	2.3
177.16335	9.5
179.14290	2.3
179.17926	2.0
183.13789	2.0
187.07521	5.8
189.06993	2.8
190.07780	2.3
191.08499	10.7
191.14392	1.8
191.17920	7.9
193.15822	2.1
195.13713	1.9
201.16330	2.9
207.08075	1.9
208.08861	2.3
209.09727	1.8
209.11621	1.5
209.15266	2.9
209.18956	8.3
217.19513	1.8
218.07211	2.7
219.08020	17.1
219.17407	4.1
220.08600	2.9
223.16988	3.4
235.07547	2.6
236.08272	5.1
237.09001	1.4
237.18495	11.3
247.07529	6.9
247.24185	22.7
251.10620	16.0
257.22668	7.9
260.59665	1.4
264.07672	4.2
265.25223	35.5
272.47256	1.6
275.23697	22.2
279.10162	25.2
280.10812	1.8
283.09933	1.4
283.13422	2.1
291.08884	1.5
293.24707	48.8
296.10361	3.1
311.09164	2.0
311.12741	25.8
311.25803	23.8
312.12964	2.5
325.03162	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.8
55.66715	1.5
57.03411	5.7
57.40628	1.5
60.76445	1.7
61.02927	10.1
69.03425	16.3
69.07063	10.8
69.69621	11.4
71.04971	3.0
73.02896	4.8
81.03409	7.6
82.82401	1.7
85.02899	100.0
87.04468	3.0
87.08096	18.1
91.03928	7.4
97.02885	24.1
98.21449	3.2
99.04430	3.7
109.02847	9.4
115.03913	1.6
119.25519	1.5
119.70163	1.8
123.04408	4.7
127.03909	26.6
128.72659	1.5
133.08565	3.4
135.04379	2.7
138.09158	1.7
145.04947	42.9
147.04419	4.2
163.03903	4.0
163.05989	7.3
180.08633	1.8
187.13287	1.6
251.06879	2.7
312.08640	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	313.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	8.7
55.05477	7.6
57.03415	12.7
57.07079	10.1
58.99566	7.0
59.23024	7.9
67.05491	11.5
68.05024	13.3
69.03451	8.2
69.63957	58.0
70.06578	10.5
71.98952	7.8
76.50475	8.3
79.05518	15.6
80.95757	7.6
81.07035	49.1
82.06583	9.9
84.04504	44.6
85.01103	9.7
85.02878	9.4
86.00640	29.2
91.05463	36.6
94.06554	12.4
95.08620	16.2
96.04507	8.6
97.35694	6.9
103.05473	13.4
105.07021	10.6
107.04960	8.2
111.04425	8.7
113.04176	13.3
114.05521	21.8
119.04931	29.2
122.09615	8.6
124.11237	11.2
130.05006	29.8
131.04890	10.8
137.05957	22.3
138.05522	13.5
139.03822	7.4
142.04988	23.0
147.04398	73.8
151.07547	35.1
156.08418	79.2
163.07527	12.8
166.08571	11.7
166.12276	14.5
168.06578	14.2
172.04343	9.3
186.95120	7.6
189.09116	17.6
210.11211	100.0
215.04726	11.7
223.07504	8.7
313.06732	11.3
313.11502	26.3
313.23788	8.0
313.27426	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	313.143
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
51.02372	0.5
53.03928	0.6
55.01864	0.7
55.05471	0.3
58.86574	0.3
65.03925	1.9
67.05495	0.5
71.11612	0.3
71.56418	0.4
79.05473	1.8
81.07047	1.5
91.05469	41.1
92.05804	0.5
93.07020	0.5
94.04174	3.0
95.04956	6.9
103.05450	2.3
105.07017	1.9
107.04951	3.3
108.05711	0.6
109.06496	2.6
115.05429	1.9
116.06243	0.4
117.03368	0.3
117.07008	1.4
119.04930	25.4
119.08583	0.3
121.06489	1.1
122.03631	6.9
123.04439	0.6
123.08048	1.0
128.05254	0.7
128.06200	9.6
129.06990	22.4
131.04909	2.3
131.08546	1.0
132.05701	0.5
133.06433	1.5
135.04422	0.6
135.08023	0.8
136.05182	5.5
137.05960	69.9
138.06285	0.8
141.06950	0.4
143.04883	0.8
145.06468	3.0
146.07243	1.2
147.07994	0.9
149.05983	1.4
151.07523	100.0
152.06233	0.6
152.07841	1.8
153.06967	0.3
155.05997	0.7
156.05690	1.8
157.06473	14.5
158.07191	0.9
159.04346	0.7
160.05138	1.0
161.05966	2.3
161.09592	1.8
163.07510	3.2
165.06976	2.3
167.08562	0.4
169.06497	0.7
173.05969	0.9
174.06743	12.6
175.07516	7.2
176.08278	0.7
177.09065	1.0
178.07742	4.7
178.09175	0.5
179.08554	0.5
181.06445	1.1
182.07268	0.6
189.09085	59.1
190.09450	1.3
191.08652	0.5
191.10631	0.3
192.09296	1.3
193.06441	1.0
193.10100	5.3
194.07256	0.3
195.08014	1.2
196.05238	0.3
197.05928	1.4
202.07776	1.8
203.08546	3.1
205.06467	0.7
206.07263	1.7
207.08005	0.7
209.05931	0.9
209.09644	0.4
210.06715	1.3
211.07487	1.0
212.08273	0.6
219.07967	0.7
220.08801	1.2
221.05960	0.8
221.09586	9.8
221.11649	0.7
222.10120	0.9
223.07559	1.1
224.08344	0.7
225.05463	0.4
225.09087	1.4
231.08037	1.2
232.08641	0.4
233.06067	0.4
234.06628	1.1
235.07599	0.4
235.11130	0.6
237.05325	0.6
237.09076	0.8
238.06319	0.5
238.09837	1.2
239.07021	0.8
240.07652	0.4
241.08525	1.1
248.08160	0.4
249.09079	8.2
250.09685	0.8
251.07039	0.8
252.07788	0.6
253.08627	0.9
253.12201	10.3
255.06490	0.3
263.10657	0.9
265.08472	0.6
266.09311	1.0
267.10257	0.7
269.08047	3.2
272.10349	1.3
277.65695	0.4
280.10977	0.3
281.11700	7.7
282.12506	0.4
284.10413	1.9
285.11142	0.7
295.13263	0.3
313.14294	33.8
314.14441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	Engelhardione
Peak:m/z	Relative Intensity
50.91087	2.7
55.01857	3.3
55.05502	6.0
56.34446	2.6
57.07057	3.7
57.99741	2.9
67.05490	13.4
69.07050	12.1
69.45233	7.9
69.45644	16.8
71.08620	3.3
76.13002	3.0
77.02277	2.8
79.05471	4.8
81.07032	9.2
83.08578	5.3
91.05470	5.4
93.07023	8.2
95.04967	3.8
95.08609	31.2
97.53918	3.1
98.21530	5.7
99.14120	2.9
103.05444	5.3
105.07000	6.9
107.08574	6.3
109.06499	4.1
117.07006	3.7
119.08544	6.6
121.06469	4.2
121.10133	3.8
123.04367	3.3
123.08009	4.7
131.04880	6.4
133.10049	3.4
137.05980	19.3
141.06981	5.2
143.08551	5.0
155.04871	6.2
157.06421	3.4
163.07578	6.2
166.07797	3.9
169.06551	7.3
169.08443	2.7
175.07516	6.1
176.04573	3.3
181.10118	7.6
183.04475	6.2
183.07994	3.8
184.45700	3.2
187.07527	12.0
189.05423	6.6
189.09081	8.5
191.06976	5.2
195.08009	3.8
197.06004	3.9
199.07565	3.0
200.04704	4.1
201.05458	4.3
201.09160	8.9
203.06981	4.2
207.11696	6.6
209.09636	21.0
211.03854	6.3
211.07532	11.2
213.05429	6.4
215.07034	12.1
215.10783	3.6
217.16414	2.9
219.06511	17.0
220.08835	7.3
225.05446	4.2
225.09038	7.1
225.12788	3.7
226.09773	4.8
227.06903	3.2
228.04204	4.2
229.08606	8.2
231.10760	4.7
235.11201	11.7
237.09113	8.8
238.09760	3.3
238.16995	3.1
239.06937	7.1
241.12215	25.4
243.06520	26.4
243.10234	5.4
244.07298	9.6
248.58974	3.1
252.11449	4.6
253.08572	4.1
253.12338	9.6
257.08124	9.6
257.15372	7.1
263.10739	11.3
265.08496	4.1
266.09293	4.1
267.13803	17.0
269.11734	3.3
271.09595	3.2
271.13281	8.9
280.10919	6.3
280.72650	3.4
281.11761	15.0
285.14795	29.9
295.13153	27.4
313.11078	3.4
313.14294	100.0
313.17999	5.5
313.21609	9.1
313.27420	6.1
314.14267	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	313.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.05504	4.9
57.03390	4.6
57.07071	17.7
59.04950	4.0
66.62613	0.8
67.05498	13.2
69.07055	7.3
71.04947	1.0
71.08628	11.6
71.57024	1.2
79.05477	6.7
81.07050	14.0
82.58949	1.0
83.04941	1.1
83.08611	5.0
85.06494	1.7
85.10168	5.9
91.05453	4.8
93.07030	16.2
95.08595	27.2
95.27761	0.9
97.06477	1.4
97.10084	2.9
99.08004	0.9
105.07013	11.2
107.08585	12.1
109.06354	1.2
109.10153	17.2
113.09586	1.5
115.77426	0.9
117.06924	3.4
119.08575	10.4
121.10130	17.3
123.07986	1.6
123.11697	4.7
125.09543	2.3
129.06891	1.3
131.04826	0.9
131.08546	6.8
133.10109	8.9
135.08028	1.0
135.11685	5.5
142.07652	0.9
143.08548	5.1
144.09299	0.9
145.10089	6.8
146.79340	0.9
147.11659	9.0
149.13142	3.2
156.09261	1.7
157.10158	4.7
159.11697	9.5
161.09419	1.1
161.13243	8.8
163.14665	1.2
171.11676	4.9
173.13232	6.4
175.14787	6.1
177.12640	1.0
183.11534	1.1
185.13219	5.2
187.14793	4.6
189.12706	1.5
189.16257	2.0
191.14180	0.9
193.15813	1.8
197.13107	1.8
199.14792	13.5
201.16203	1.5
203.14145	2.6
203.17848	2.1
205.15700	1.4
211.14607	1.1
213.16209	3.9
217.15721	2.4
225.16237	2.0
227.17909	7.0
229.19487	1.2
231.17438	1.6
239.17702	3.4
253.19252	1.1
255.21045	6.7
257.18811	1.6
257.24374	1.4
295.24139	9.5
313.24902	100.0
314.25345	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05511	6.3
57.03149	0.9
57.03430	20.7
57.07068	56.4
67.05169	0.9
67.05495	11.3
69.07059	9.7
71.04966	1.1
71.08621	34.9
71.53522	0.8
72.08911	0.6
75.04452	0.8
79.05473	0.9
81.07045	15.7
83.08607	11.3
85.06513	1.0
85.10169	19.5
89.06020	2.3
93.07034	1.7
94.89231	0.5
95.08591	21.5
97.10160	5.9
99.11717	1.4
101.17496	0.5
102.23611	0.5
103.07536	1.4
109.10144	9.4
111.08067	0.6
111.11702	1.2
113.13258	0.8
117.09096	0.8
123.11651	3.5
137.13214	1.6
151.14690	0.7
179.95959	0.5
212.23744	1.3
239.23682	5.0
257.24683	4.8
258.24933	0.7
270.24023	0.6
275.25775	0.8
298.27451	0.7
313.27322	100.0
313.36722	1.7
314.13776	1.3
314.27643	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.8
57.03430	27.2
57.07068	71.5
67.05494	15.8
69.07060	14.0
69.41837	1.9
69.42242	9.0
71.08623	49.9
81.07044	21.7
83.04931	1.4
83.08607	17.0
85.10175	30.2
89.06020	4.2
93.07001	1.8
95.08031	2.0
95.08593	27.3
97.10162	7.3
98.20670	1.9
99.11728	1.7
103.07541	3.7
109.10139	11.3
111.11669	1.3
122.98499	1.2
123.11692	4.8
129.25047	1.1
137.13240	2.2
151.14877	1.1
169.04080	1.0
236.78790	1.2
239.23683	3.8
257.24701	7.4
266.49472	1.4
313.27322	100.0
314.27673	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.1
57.03429	24.2
57.07071	68.7
57.32482	1.3
57.70716	1.3
62.11474	1.4
67.05492	15.6
69.07055	13.7
70.79114	4.1
71.04964	1.6
71.08230	2.2
71.08623	43.3
73.36629	1.2
76.09036	1.3
79.05478	1.9
81.07047	18.2
83.08618	15.4
85.02889	1.8
85.09698	2.1
85.10176	25.7
85.14099	1.5
89.06013	4.8
91.05479	2.1
91.31353	1.2
93.07028	2.8
95.08589	29.0
97.06497	1.7
97.10149	6.8
101.05991	1.5
103.05415	1.8
103.07571	3.2
105.20151	1.2
107.08580	2.2
109.10147	12.2
111.11736	2.1
117.09064	1.3
119.08588	1.3
123.11708	3.0
136.36478	1.2
137.13251	2.7
161.05917	1.6
239.23718	5.5
257.24677	4.2
298.10687	3.6
299.11621	2.9
313.27332	100.0
314.13931	8.1
314.27750	2.8
314.34106	3.2
319.01743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70524	0.9
55.05500	10.1
57.03180	1.7
57.03432	23.2
57.07069	68.1
64.17212	1.0
67.05500	14.1
69.07056	12.7
69.34958	9.2
71.04981	1.2
71.08621	44.2
79.47866	0.9
81.07048	18.4
83.08611	14.6
85.06501	1.2
85.10170	23.4
89.05998	3.1
93.07021	1.7
95.08591	24.0
97.10156	6.5
98.20730	1.9
99.11716	1.4
103.07582	1.6
109.10138	12.0
111.11725	1.3
113.13258	1.1
115.90794	0.9
123.11683	4.9
137.13246	1.9
178.07149	0.9
188.53206	1.1
225.07336	0.9
239.23688	5.7
257.24619	6.8
298.27301	1.7
313.27319	100.0
314.27722	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18551	1.6
55.05509	9.0
57.03435	24.3
57.07072	67.1
59.10571	1.4
59.92370	1.6
67.05505	14.8
69.07069	11.1
71.07127	2.4
71.07479	3.8
71.08630	45.9
72.08939	1.7
75.04456	1.5
79.05470	2.4
81.07059	18.7
83.08615	16.2
85.10178	25.4
89.06029	3.6
95.08033	2.3
95.08603	27.3
95.22645	1.5
97.06496	1.5
97.10146	7.0
103.07558	3.0
109.10153	11.0
117.09037	1.5
123.11699	5.5
161.94048	1.4
165.07933	1.7
239.23619	2.4
257.24786	3.9
298.10843	3.1
298.27325	2.4
299.11432	2.4
313.27362	100.0
314.13745	5.7
314.27756	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	315.1221
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
55.01867	1.4
55.05501	1.9
56.96538	1.2
57.03421	1.2
57.48165	1.0
65.03931	1.8
67.05471	2.3
69.07053	1.6
69.96284	2.6
69.96701	4.0
71.08595	1.3
75.63864	1.2
78.23044	1.0
79.05020	1.0
79.05482	3.3
81.07039	2.9
83.04975	1.7
85.06506	1.5
91.05474	7.2
93.07026	3.4
95.04960	2.9
95.08595	2.3
98.20772	1.1
100.07606	3.6
103.05434	6.0
105.07019	4.5
107.04949	2.9
107.08642	1.2
115.05421	2.7
117.06998	1.5
119.04961	1.6
119.08561	2.1
120.05765	1.6
121.05660	1.4
121.06504	3.9
122.03613	1.5
123.04462	1.4
123.08064	1.8
129.06953	2.7
131.04904	3.6
135.04391	2.2
135.08043	4.2
137.02322	2.3
137.05968	21.1
137.17461	1.1
138.06248	1.1
139.06467	1.6
141.06952	1.5
143.08664	1.6
145.06525	1.8
146.03621	4.6
147.04424	1.9
147.11662	1.3
148.05226	2.9
149.05952	3.0
151.03886	2.1
151.07527	10.5
152.06233	3.0
153.06940	3.5
154.07748	2.3
155.08551	2.2
157.06491	2.6
157.10179	1.5
159.04332	1.2
159.11667	1.2
161.05974	10.9
161.09543	1.2
163.03870	1.7
163.07532	15.7
165.05560	2.0
165.06973	32.4
166.07788	14.0
167.04979	1.1
167.08557	4.2
168.05635	3.1
169.06439	3.1
170.15341	1.4
171.08026	1.7
173.06148	1.4
174.06731	3.1
176.06123	2.3
177.06941	7.3
178.07756	7.1
179.08597	7.4
181.06444	7.1
182.07246	6.2
183.08073	6.0
185.05928	2.2
189.06961	1.5
190.07742	2.4
191.03325	7.5
191.07008	6.7
191.08539	2.5
193.06447	14.6
194.07246	46.0
195.07994	9.7
196.05196	2.4
196.08763	2.1
197.05937	3.3
197.09598	1.7
198.06790	1.4
199.07516	2.4
204.05672	1.4
205.06464	17.5
206.07237	3.9
207.04303	1.7
207.07994	4.3
208.05185	1.8
208.08789	2.1
209.05980	3.9
209.09531	6.9
210.06760	10.1
211.07495	15.5
212.08025	1.8
213.05457	2.7
218.07274	1.5
219.08044	3.6
221.05945	23.6
222.06721	33.0
223.07504	5.8
224.08324	7.6
225.09096	14.3
226.06302	1.2
226.09770	2.2
227.07050	5.5
228.07729	1.2
233.05974	5.3
234.06660	3.6
235.07552	5.1
236.08284	4.1
237.05434	2.4
237.09073	27.7
238.06221	4.0
239.06990	10.6
239.10686	3.2
240.07727	2.5
241.04930	2.2
241.08682	1.9
242.09326	1.7
249.05461	1.8
250.06302	7.4
251.07089	5.3
252.07751	6.4
253.08524	17.3
254.09305	6.4
255.06532	3.9
255.10179	4.3
256.07278	5.0
259.07968	3.7
264.07758	2.4
265.08578	100.0
266.08990	3.1
267.06937	1.7
267.10092	13.2
268.08517	2.1
269.08282	3.7
269.11725	3.4
270.08694	2.2
271.09604	12.3
279.10190	2.4
282.08844	5.9
283.09607	9.1
285.04074	2.2
285.11176	43.4
287.09625	2.9
292.10187	3.6
297.11182	97.4
298.11548	3.0
315.04868	6.2
315.08551	7.5
315.12259	31.2
315.19397	2.3
315.22864	1.5
316.12555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
54.19870	8.2
55.01872	14.2
55.05501	14.9
57.03423	10.8
58.92319	8.4
63.79609	8.7
67.05498	22.5
69.03419	36.5
69.07072	24.1
71.05000	16.1
71.56369	13.8
73.02925	8.9
79.05484	32.0
81.03400	28.9
81.07043	54.1
83.04990	16.1
85.02900	77.7
87.04469	11.2
91.05464	39.4
93.07037	98.1
95.04962	27.9
95.08581	42.7
97.02889	19.0
103.03975	8.9
103.05479	10.5
105.07009	64.8
107.04932	11.2
107.08582	100.0
109.02877	17.3
109.06506	23.1
109.10126	16.3
111.04420	18.8
115.03909	10.6
117.07035	14.6
119.04990	9.6
119.08581	41.7
121.10127	25.3
123.04408	19.6
123.08076	14.9
127.03915	14.6
129.07005	12.7
131.04912	14.4
131.08542	24.3
133.04958	16.0
133.10135	22.4
135.08029	17.9
135.11650	62.0
137.02351	19.0
137.05995	37.6
137.09587	12.6
139.03940	10.0
143.08507	18.4
145.04926	10.5
145.10133	24.1
147.08026	22.9
147.11665	18.7
149.09598	10.6
151.07526	13.9
151.11192	12.5
153.01811	19.3
153.12746	21.7
159.11740	14.8
161.05954	10.2
163.07571	10.9
163.11180	12.8
165.01833	8.7
165.12764	23.8
167.08575	12.0
173.13153	13.7
175.07556	11.8
195.02893	27.2
201.12779	12.1
211.07594	10.2
215.14449	9.5
218.02002	8.3
219.13817	11.0
223.07600	10.1
231.13765	19.8
241.05032	10.4
243.13730	15.7
255.11302	11.9
259.06012	10.8
261.14771	17.2
265.08578	9.7
279.15912	17.1
283.09537	19.5
287.05273	10.0
297.11896	18.3
297.16992	14.0
300.06284	11.4
315.04922	74.4
315.08640	61.3
315.12643	32.4
315.18610	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	316.2841
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.43926	0.7
53.03946	0.7
55.01876	0.9
55.05505	5.6
56.05029	4.3
57.07068	2.1
60.04519	100.0
62.24559	0.7
63.08451	0.6
66.98850	0.7
67.05495	11.1
67.28380	0.7
68.05035	0.7
69.07053	5.4
69.85153	0.6
71.04964	0.7
71.08635	1.1
71.15015	1.6
72.04516	2.3
74.06077	3.1
75.58679	0.7
79.05482	4.2
80.94891	0.7
81.03399	0.9
81.07042	9.4
83.08607	3.5
86.06093	0.7
87.04462	3.7
90.05572	0.7
91.05464	3.1
93.07016	5.1
94.06541	1.0
95.04962	1.5
95.08595	8.1
96.08131	1.1
97.06540	0.8
103.85976	0.7
105.07013	1.8
105.73603	0.9
107.08582	4.0
109.06480	0.9
109.10146	6.0
119.08575	4.2
121.10130	2.4
123.08083	2.0
123.11696	1.0
133.10187	0.8
135.11694	1.3
137.05975	1.7
137.09595	3.1
140.88741	0.8
147.11713	1.1
151.07475	1.0
161.09619	1.3
213.66855	0.7
237.27069	0.8
250.25345	1.0
251.23581	0.7
256.26456	1.1
262.25430	1.2
268.26157	0.9
280.26312	11.9
285.09793	0.8
298.27365	12.9
299.12759	1.1
316.28427	37.2
317.21136	3.6
317.28812	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.55994	0.1
59.44052	0.1
65.03938	0.7
67.01837	0.2
68.99776	0.5
70.35602	0.3
70.35977	0.3
79.29553	0.2
87.93227	0.1
87.93814	0.1
92.02615	3.0
93.03399	3.1
98.59461	0.1
109.02862	0.2
111.00777	0.4
111.04460	0.2
121.02853	2.0
122.03618	0.3
126.03115	1.3
133.02818	0.2
137.02322	0.6
139.03896	1.5
145.06482	0.2
149.02296	0.2
150.03053	0.2
151.03893	1.4
152.01036	0.2
153.01810	16.4
154.02428	0.2
155.04860	0.3
161.05992	0.2
163.03918	0.2
165.01833	1.4
166.02588	0.4
170.02119	0.2
173.05931	0.4
177.05405	0.5
179.03377	0.4
183.02884	0.3
183.04356	0.3
187.03888	0.3
189.05475	0.2
190.02608	0.2
190.06187	0.2
192.04051	0.2
197.16095	0.1
200.04721	0.7
201.05455	1.6
203.03372	1.7
204.04131	0.3
212.24808	0.1
217.04933	3.0
218.05742	1.3
219.02869	0.7
228.04152	4.3
229.04927	6.9
230.05455	0.3
231.02808	1.2
233.04399	0.2
239.03406	0.2
243.06551	0.3
245.04413	3.4
246.05202	3.2
256.03641	0.6
257.01724	0.2
257.04434	4.8
258.05200	0.3
259.02283	0.2
260.03058	0.7
261.07538	0.4
271.05984	0.4
273.03885	3.2
274.04694	6.5
275.05139	0.2
284.03165	0.6
285.03912	7.2
286.04517	0.3
287.02106	0.2
288.06189	0.3
299.05472	0.2
301.03348	0.4
302.04175	21.8
303.04480	0.5
317.06519	100.0
318.03152	0.3
318.06836	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	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
56.52461	0.3
60.31025	0.3
65.03931	0.7
66.91594	0.4
67.05502	0.4
68.99781	0.5
69.03413	0.5
69.50730	0.9
69.51143	1.9
79.05465	0.7
81.03407	0.7
81.07021	0.4
85.02906	0.4
91.05463	0.6
92.02617	2.9
93.02966	0.3
93.03399	3.1
93.07054	0.4
95.04969	0.4
103.68719	0.3
105.07014	0.5
107.08604	0.5
109.02874	0.5
119.08601	0.4
121.02838	2.6
121.06504	0.4
125.98724	0.4
126.03109	1.3
131.08580	0.4
137.02275	0.6
137.05957	0.6
139.03899	1.2
145.06386	0.4
151.03885	1.4
151.07602	0.5
153.01807	17.2
159.04478	0.4
159.08046	0.4
161.05934	0.8
161.09503	0.5
163.03819	0.7
165.01814	1.0
166.02602	0.6
177.05394	0.4
179.03375	0.4
183.04460	0.4
187.03825	0.3
200.04649	0.9
201.05437	1.5
203.03372	1.4
205.04936	0.4
215.03526	0.5
217.04939	2.9
218.05693	1.0
219.02986	0.4
228.04164	3.6
229.04932	5.2
231.02879	1.2
233.04286	0.4
243.06601	0.4
245.04373	3.1
246.05177	3.1
253.08585	0.4
253.12172	0.4
256.03812	0.5
257.04376	3.9
260.03091	0.9
261.07458	0.5
271.13373	0.4
273.03973	3.6
274.04700	8.3
275.54355	0.4
285.03894	5.2
287.02155	0.5
289.03357	0.4
299.09146	0.3
299.12573	0.4
301.03531	0.5
302.04169	22.9
317.06516	100.0
318.06784	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33234	0.1
65.03931	0.9
67.01861	0.2
67.50196	0.1
68.99785	0.6
70.67564	0.3
70.67933	0.3
79.05460	0.2
81.03427	0.2
81.07045	0.2
92.02618	3.5
93.03395	3.4
93.07024	0.2
94.04202	0.2
95.01333	0.2
95.04961	0.4
105.07016	0.3
107.04945	3.1
107.08577	0.1
109.02892	0.3
110.79290	0.1
111.00791	0.3
120.02076	0.2
121.02856	1.9
122.03625	0.3
123.04445	0.2
124.05177	0.1
126.03117	1.5
131.04927	0.2
133.06468	0.1
135.04404	0.1
137.02274	0.7
139.03902	1.6
140.75929	0.1
143.08597	0.2
145.06438	0.3
145.10138	0.1
146.48186	0.1
147.04375	0.2
150.03072	0.3
151.03899	2.0
152.01038	0.2
153.01813	19.9
153.52832	0.1
153.93146	0.1
154.02063	0.1
155.04893	0.2
161.05959	0.2
161.09636	0.2
163.03908	0.4
165.01790	1.1
166.02551	0.3
173.05963	0.5
176.04662	0.3
177.01738	0.2
177.05466	0.6
179.03374	0.4
182.88823	0.1
183.02879	0.4
183.04411	0.4
187.03844	0.5
189.05351	0.2
190.06279	0.3
192.04036	0.3
193.01329	0.3
193.04993	0.1
200.04660	0.8
201.05457	1.9
203.03418	1.7
204.04158	0.3
205.05020	0.1
211.03871	0.3
211.05872	0.3
217.04950	3.4
218.05737	1.4
219.02846	0.7
228.04158	4.3
229.04932	7.7
230.05461	0.4
231.02827	1.3
232.03651	0.3
239.03294	0.2
243.06421	0.2
245.04434	4.2
246.05222	3.9
247.05798	0.2
256.03763	0.7
257.04422	4.8
260.03210	0.7
261.07523	0.4
271.06027	0.4
273.00879	0.2
273.03900	4.0
274.04697	7.0
275.05072	0.4
284.03159	0.6
285.03912	7.6
286.04449	0.3
287.01874	0.3
288.06461	0.2
301.03442	0.5
302.04184	22.0
303.04550	0.9
317.06525	100.0
318.06891	3.3
318.10464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01868	0.2
59.74073	0.2
62.16531	0.2
65.03927	0.6
67.01862	0.3
67.05483	0.3
68.99773	0.6
69.03419	0.2
69.90695	0.7
69.91113	0.4
79.05476	0.3
81.03415	0.3
81.07052	0.3
85.74712	0.2
91.05482	0.2
92.02615	3.3
93.02872	0.2
93.03402	2.9
93.07072	0.3
95.04932	0.3
105.07034	0.4
107.04934	1.2
107.08595	0.4
109.02908	0.2
109.10178	0.2
111.00800	0.5
111.04414	0.2
121.02853	2.7
121.06464	0.2
122.03640	0.4
123.04506	0.2
126.03111	1.3
131.08559	0.3
133.02756	0.2
133.10153	0.2
137.02327	0.6
137.05988	0.2
139.03905	1.6
145.02820	0.7
145.06502	0.4
149.05952	0.3
151.03940	1.3
151.04985	0.3
151.07475	0.3
152.01010	0.2
153.01813	19.8
154.02161	0.3
155.04884	0.5
161.05956	0.7
161.09602	0.6
163.03847	0.3
165.01831	0.8
166.02562	0.4
167.03410	1.6
173.05942	0.5
175.53438	0.2
177.05437	1.2
179.03343	0.3
183.02917	0.3
183.04364	0.3
185.13242	0.2
189.05484	0.3
190.06218	0.4
192.04181	0.2
193.05144	0.2
200.04701	0.7
201.05397	1.8
203.03348	2.3
204.04160	0.4
217.04948	3.7
218.05731	1.4
219.02896	0.8
219.06038	0.2
228.04140	4.7
229.04930	7.6
230.05347	0.3
231.02872	1.4
232.03687	0.2
239.03462	0.3
243.06509	0.4
245.04417	4.4
246.05238	2.8
256.03671	0.7
257.04431	5.2
258.04922	0.4
260.03128	0.8
261.07593	0.6
271.13266	0.2
273.03894	3.1
274.04697	7.7
275.05066	0.2
284.03000	0.9
285.03918	8.4
286.04535	0.3
287.01843	0.4
288.06299	0.4
299.12909	0.3
301.03400	0.3
302.04181	21.8
303.04407	0.4
317.06531	100.0
318.06918	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	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02484	0.1
55.01861	0.3
57.80944	0.1
65.03934	0.9
68.99775	0.5
69.07040	0.2
71.29768	0.2
76.48888	0.2
78.15141	0.2
79.05476	0.3
81.03392	0.3
81.07021	0.3
91.05458	0.4
92.02615	3.9
93.03393	3.3
93.07024	0.4
95.01312	0.2
95.04960	0.3
105.07019	0.4
105.52464	0.2
107.04945	1.3
107.08575	0.4
108.02046	0.2
109.02860	0.2
109.10098	0.2
111.00784	0.6
117.03381	0.3
119.08549	0.4
121.02845	2.3
121.06467	0.3
122.03584	0.4
123.04386	0.3
124.05215	0.2
126.03082	1.2
131.04912	0.2
133.02831	0.3
135.04417	0.2
137.02304	0.7
137.05951	0.2
139.03889	1.9
139.14561	0.2
145.02817	0.6
145.06435	0.2
145.10118	0.2
147.04395	0.2
147.11617	0.2
149.05954	0.4
150.03114	0.2
151.03925	1.5
151.07549	0.2
153.01805	20.4
154.02264	0.2
155.04890	0.4
161.05939	0.5
161.09572	0.5
163.03888	0.5
165.01830	1.4
166.02602	0.5
167.03416	2.2
170.02127	0.2
173.05945	0.6
177.05440	1.2
179.03331	0.5
183.02895	0.5
183.04385	0.3
185.04395	0.3
187.03888	0.5
189.05508	0.2
190.02588	0.2
190.06256	0.3
191.03362	0.3
192.04033	0.3
200.04701	0.8
201.05453	2.0
203.03363	1.9
204.04189	0.2
211.03931	0.3
215.03320	0.2
217.04938	3.9
218.05699	1.4
218.11679	0.2
219.02901	0.8
228.04149	4.4
229.04919	8.2
230.05428	0.2
231.02853	1.3
232.03748	0.3
239.03432	0.2
243.06458	0.3
245.04424	4.4
246.05225	3.7
247.02654	0.2
256.03674	0.4
257.04410	4.8
257.07034	0.3
258.04962	0.2
260.03162	0.8
261.07455	0.5
262.51907	0.2
271.05960	0.3
273.03922	3.7
274.04681	7.6
275.04691	0.2
284.03262	1.1
285.03906	8.7
286.04605	0.3
287.02057	0.3
287.05606	0.2
288.06223	0.3
301.03418	0.8
302.04175	23.8
303.04626	0.7
317.06519	100.0
318.06894	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	5,2'-Dihydroxy-7,5'-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	1.9
62.58875	0.5
66.54523	0.5
67.05482	1.6
68.99785	1.4
69.03420	18.8
69.07066	0.6
70.70201	1.6
79.05476	3.8
81.03412	3.2
81.07043	1.5
85.02876	1.4
85.49515	0.6
91.05470	4.5
93.03407	0.8
93.07051	1.3
95.04974	2.8
95.08613	0.6
97.02867	1.0
97.06485	0.8
99.04448	0.7
103.05463	0.6
105.06983	1.6
107.04931	1.9
107.08569	1.6
109.02858	1.0
109.06481	0.9
111.00793	0.7
111.04411	1.0
115.05442	1.6
119.04929	7.1
119.08569	0.9
121.02876	1.3
121.06461	2.0
123.04414	57.2
124.04733	1.6
125.05965	0.7
126.02734	0.6
127.03940	0.8
131.04921	0.8
133.06429	1.1
133.10129	1.0
135.04359	0.9
137.02377	1.1
137.05959	5.0
138.05493	0.8
138.09122	1.0
139.03880	6.9
141.05460	3.8
141.06950	0.5
141.85571	0.5
143.04980	1.3
145.06439	0.7
145.10152	0.7
147.04391	20.0
149.05956	3.1
151.03873	2.0
151.07436	0.7
153.01837	2.9
153.05444	6.6
156.10181	4.3
159.08063	1.1
161.05957	7.5
161.09567	3.5
163.03920	3.3
165.01817	4.0
165.05457	100.0
166.05820	1.7
167.03409	0.7
175.03769	0.5
177.05444	3.5
179.03383	1.1
179.07045	3.1
181.06413	1.0
183.02908	4.2
183.08037	0.9
185.09679	0.7
189.05455	2.3
193.04883	1.4
195.02826	1.6
195.06570	3.2
207.02785	0.8
207.06471	6.1
235.11273	0.6
237.12761	0.6
239.07054	0.7
243.11154	0.8
253.12196	1.0
257.08121	1.8
267.06454	0.8
271.05899	0.6
271.10464	1.7
271.13290	1.4
274.04706	1.2
281.08063	0.7
287.10114	1.8
299.05597	1.0
299.09250	5.9
299.12686	1.1
317.02823	1.2
317.06500	11.2
317.10208	25.0
318.10361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
51.48056	0.9
53.03908	1.1
55.01859	1.7
55.05492	2.4
57.01410	0.9
57.36858	1.0
62.68790	0.9
65.03912	1.0
67.01856	7.5
67.05477	4.3
68.99773	2.3
69.03407	1.7
69.07047	3.0
71.54720	1.9
79.05479	9.6
80.06226	1.1
81.03429	7.1
81.07050	5.0
83.04958	2.0
84.19015	0.9
89.03901	5.8
91.05460	5.4
93.07019	6.4
95.04969	5.0
95.08564	4.2
97.06492	1.4
97.10148	1.7
99.04452	1.2
101.53426	1.1
105.07014	6.7
107.04929	1.2
107.07883	1.2
107.08576	7.4
109.06461	2.1
109.10146	2.8
111.04430	8.4
117.03366	17.8
117.06992	1.9
119.04916	1.6
119.08542	4.9
121.02824	2.2
121.06512	5.2
121.10109	1.8
123.04397	3.8
123.11665	0.9
125.05978	1.4
131.04890	1.4
131.08539	3.7
133.06511	1.6
133.10106	3.7
134.03629	2.4
135.04395	1.6
135.07999	1.3
135.11644	1.0
137.05949	6.4
137.09544	1.7
139.03885	1.4
142.86800	1.0
143.08542	3.0
145.02826	38.9
145.06485	1.4
145.10088	2.8
147.04338	1.5
149.05972	6.6
149.09663	1.2
151.03859	1.5
151.07509	2.1
152.98517	1.0
153.01804	1.7
153.05457	1.2
157.10081	1.4
159.07977	2.1
159.11673	1.3
161.05960	8.9
161.09616	11.3
161.13161	1.2
163.03841	2.8
165.05444	6.3
167.03384	100.0
168.03711	1.4
173.09547	1.2
175.07491	0.9
177.05452	53.3
185.04440	17.7
186.05447	1.5
192.09416	1.2
193.04947	6.8
197.09593	1.3
197.13234	1.2
211.11169	1.4
215.14566	0.9
219.06500	1.0
225.12665	2.1
235.11055	1.6
253.12277	3.4
271.13214	4.5
275.09363	1.0
281.11679	2.2
299.09552	1.1
299.12738	3.7
299.19916	2.2
302.04175	1.6
317.06555	10.2
317.10129	70.4
317.13699	3.9
317.20871	5.1
318.10406	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03920	1.4
55.01857	3.6
55.05503	11.1
57.07074	7.1
57.07299	1.3
59.05000	6.1
59.53819	1.3
59.73562	1.1
60.04503	3.7
65.03941	2.5
67.03243	1.2
67.05499	63.5
69.03421	4.2
69.07052	6.4
70.06573	4.4
70.82182	2.6
70.82520	1.7
71.04970	2.3
76.07919	1.2
76.86108	1.1
79.05478	13.0
81.03414	2.6
81.07050	31.0
83.04974	1.6
85.06557	2.8
86.05480	1.3
88.07616	5.7
91.05466	17.7
93.07024	15.8
94.31660	1.1
95.04959	27.6
95.08598	20.2
97.06521	4.8
102.09151	2.5
105.07015	16.2
107.04946	1.6
107.08582	43.9
109.06509	17.4
109.10145	100.0
110.10439	2.1
111.08095	1.3
117.07014	5.0
119.08568	58.7
121.06517	6.4
121.10142	6.4
123.08054	19.8
123.11706	1.2
125.05971	2.4
128.06204	1.6
129.07004	3.0
131.08553	5.7
133.06453	3.1
133.10115	6.4
135.08060	9.6
135.11652	2.9
137.05934	1.7
137.09599	84.8
138.09871	2.0
139.07526	1.5
141.06949	1.5
143.08578	5.1
145.06487	1.6
145.10094	6.6
147.08011	5.1
147.11636	3.2
149.09602	4.6
151.07527	48.8
153.05452	5.6
153.09140	1.6
155.08513	3.1
156.09360	3.4
157.10103	4.0
159.08052	4.3
159.11696	4.2
161.05986	1.9
161.09599	8.1
161.13214	2.8
163.07584	1.7
163.11168	5.5
165.09099	5.5
167.07037	3.5
167.08463	1.5
169.10117	2.1
171.11681	3.3
173.09714	2.5
173.13248	2.8
174.10378	1.4
175.11259	1.9
177.09125	2.6
181.08572	5.2
181.10074	2.0
181.12198	2.3
183.11685	3.4
187.11034	1.5
189.12753	19.5
197.11646	1.8
197.13292	2.1
199.11186	4.8
201.12773	1.5
203.14217	2.6
207.13774	14.4
215.10643	1.4
215.14244	4.1
217.12256	2.3
219.13812	2.9
225.12761	3.0
233.15422	1.6
237.14731	6.2
239.17888	1.6
243.13741	7.1
256.26343	8.9
261.14844	2.3
271.13345	2.1
281.18909	3.6
299.12811	1.7
299.20068	8.5
317.06583	4.4
317.21106	64.3
317.29025	2.5
318.21515	3.5
318.29999	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	317.2108
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03926	1.6
55.01850	2.8
55.05502	14.2
57.03418	1.5
57.07064	7.8
57.65881	1.1
59.05001	6.6
60.04511	2.6
65.03923	2.4
67.05495	66.8
69.03427	4.9
69.07055	6.9
69.54552	8.6
70.06580	2.4
71.04983	2.9
71.08604	1.7
79.05482	16.8
81.03416	5.8
81.07043	32.0
83.04971	2.5
83.08611	1.2
85.02902	1.2
85.06532	2.8
87.04428	1.2
88.07615	3.2
91.04987	0.7
91.05467	22.2
93.07039	21.4
95.04955	32.4
95.08598	24.6
97.06535	6.2
102.09168	3.6
103.05451	1.2
105.07020	20.6
107.04914	2.9
107.08579	51.8
108.08911	1.4
109.06499	18.0
109.10142	100.0
110.10455	1.8
110.74996	1.1
111.04391	1.3
117.07001	4.6
119.04875	1.1
119.08562	61.4
120.70875	1.1
121.02853	1.4
121.06496	8.6
121.10133	5.2
122.07242	1.1
123.04453	1.1
123.08061	20.5
125.05912	2.7
128.06230	1.5
129.06969	2.9
130.07747	1.1
131.04837	1.2
131.08536	7.9
133.06444	5.8
133.10100	9.6
135.08066	10.4
135.11673	2.0
137.05986	2.3
137.09598	81.4
138.09909	1.5
139.07561	1.6
142.07767	2.3
143.08525	7.4
145.06480	1.1
145.10115	6.8
147.08017	4.1
147.11678	4.3
149.05971	1.5
149.09604	4.7
151.07523	48.9
153.05452	6.3
153.09073	1.0
155.08539	1.5
156.09355	2.4
157.10043	4.9
159.08063	5.0
159.11658	4.7
161.05939	6.7
161.09607	17.2
161.13226	1.4
163.07510	2.6
163.11211	5.9
165.09099	5.2
167.07117	1.8
167.08499	1.5
169.10104	1.8
171.07993	1.2
171.11693	4.5
172.08823	1.3
173.09633	1.6
173.13272	3.9
175.07610	1.2
175.11226	2.6
175.14746	1.3
177.09120	2.5
179.10730	1.9
181.08611	5.2
181.10112	1.9
181.12206	2.5
182.10883	2.1
183.08018	1.4
183.11594	2.6
185.09612	1.3
185.13228	1.6
187.11234	1.7
189.12744	20.4
191.10602	2.2
192.11487	1.2
197.13214	2.6
199.11183	3.2
199.14781	1.1
201.09270	1.1
203.14352	2.0
207.11806	1.9
207.13750	16.8
215.14272	2.6
217.12212	1.8
219.13779	1.3
221.15298	3.0
225.12709	3.4
233.15331	2.0
235.11131	1.7
237.14839	5.6
243.13765	8.2
252.36757	1.0
253.12155	2.4
256.26251	6.3
261.14862	3.9
271.13312	4.0
281.11707	1.9
281.18890	3.5
294.22598	1.1
299.12775	4.3
299.20020	9.4
299.27792	1.2
302.04034	1.7
317.03073	1.6
317.06509	5.3
317.13770	4.0
317.21082	65.6
317.28821	4.3
318.21497	3.7
318.29944	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2471
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
53.03925	0.8
53.52974	0.6
55.01857	1.9
55.05509	3.1
57.07069	0.8
60.04517	11.6
61.04854	1.2
67.05495	8.3
69.03391	0.7
69.07065	3.6
69.67175	0.7
71.04977	1.8
79.05484	13.6
81.03388	2.7
81.07048	13.9
83.04972	6.4
83.08598	1.2
87.04452	1.2
88.07594	0.8
91.05473	5.8
93.07037	8.5
95.04957	4.6
95.08598	12.7
97.06516	100.0
98.06817	0.8
98.10522	0.7
98.21500	1.6
102.09155	1.1
105.07012	8.6
105.35314	0.6
107.04976	1.3
107.08585	9.8
109.06500	94.9
109.10139	10.3
110.06815	0.8
113.09506	0.6
117.07008	1.8
119.08561	8.9
121.06497	4.3
121.10122	7.2
123.08057	12.9
123.11675	2.7
128.06183	0.7
129.06990	1.5
131.08575	3.6
133.10118	7.1
135.08018	1.5
135.11703	3.4
136.90985	0.7
137.05937	0.9
137.09610	3.8
143.08589	3.2
145.06438	1.2
145.10095	3.3
147.04405	0.7
147.08051	0.7
147.11647	3.9
149.09581	1.9
149.13232	2.8
151.07513	1.4
155.08507	1.3
157.10092	2.0
159.08104	0.8
159.11684	4.7
161.05963	3.5
161.09590	3.5
161.13255	2.9
163.11169	2.7
163.14795	1.0
169.10153	0.7
171.11650	1.8
173.13161	3.1
175.11171	0.9
175.14819	3.3
177.12752	5.6
177.14146	0.8
177.16389	0.8
181.03952	0.7
183.11681	0.9
185.13240	1.4
187.14757	1.6
189.12688	1.7
189.16327	1.3
191.17931	1.5
197.13286	1.2
199.14772	2.2
201.16360	0.7
203.14183	0.8
203.17892	3.3
203.30946	0.8
205.19756	0.7
207.11795	0.7
211.14748	1.3
213.16394	1.1
215.17990	0.9
217.19583	1.4
225.12708	1.4
225.16333	1.4
229.15962	0.8
229.19028	0.7
235.11165	0.9
241.19382	1.4
245.57764	0.7
253.12248	0.7
255.21025	3.2
256.26340	2.5
271.13297	2.1
273.21924	3.3
281.11481	0.8
281.22629	7.7
281.26422	1.6
299.12689	2.8
299.20316	1.0
299.23663	10.3
299.27591	2.1
300.23920	0.8
317.06577	3.8
317.13986	2.0
317.21286	4.0
317.24725	72.6
317.28690	6.1
318.06683	0.8
318.25000	2.1
318.30048	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05503	0.7
57.03425	1.1
59.05020	0.5
61.02906	1.7
67.05485	1.1
69.03419	3.8
69.07063	0.5
69.21641	3.0
69.22073	2.8
79.05471	0.8
81.03419	0.9
82.06551	1.0
85.02896	5.8
87.04469	0.8
91.05462	0.9
93.07023	1.5
95.04932	0.5
95.08582	1.4
96.04505	3.1
96.08115	1.8
97.02901	2.4
97.05270	2.6
97.06554	1.0
100.07617	0.8
109.02853	0.9
109.06493	0.4
110.06036	6.2
110.09660	3.7
111.04420	0.8
111.08104	0.7
119.67226	0.5
120.08032	0.4
121.06487	0.6
123.04424	0.6
125.08329	0.6
126.09149	7.5
127.03883	1.4
135.04372	1.1
137.02350	1.2
138.09123	20.9
139.03888	10.3
139.07538	1.5
145.04922	0.8
149.05919	0.7
153.01804	2.0
156.10184	100.0
157.10503	2.2
163.03853	2.3
165.01913	0.6
168.10204	1.0
169.01396	0.6
181.04936	0.6
183.08003	0.5
191.03369	3.1
198.11269	0.7
217.05078	0.6
245.04382	0.7
255.06566	1.5
259.06186	0.9
272.09207	0.7
273.03864	0.7
273.12326	0.6
301.11719	1.5
318.03436	0.7
318.06870	1.5
318.15302	1.4
319.04520	10.8
319.07916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0444
Annotation	Myricetin
Peak:m/z	Relative Intensity
52.76441	0.3
55.01860	0.4
56.75716	0.4
63.17972	0.3
65.03912	0.5
67.01839	0.5
68.99781	3.8
69.03384	0.5
70.97527	0.9
79.01850	0.6
81.03401	0.8
86.53789	0.4
91.05412	0.4
93.03400	0.5
95.04923	0.4
104.94231	0.3
109.02850	2.6
111.00787	4.6
111.04432	0.6
121.02862	0.5
121.06474	0.5
125.02328	0.7
127.03920	0.8
133.06491	0.4
135.04359	0.8
137.02338	4.2
139.03867	0.7
145.02892	0.4
147.04413	1.1
149.02353	0.5
149.05965	0.6
151.03873	1.5
153.01814	21.2
153.05402	0.6
161.05971	0.9
163.03897	3.4
165.01828	5.8
166.02586	0.9
169.01280	0.9
171.04439	1.0
175.03874	0.9
177.05476	1.7
179.03403	3.3
183.02885	2.4
189.05499	2.2
193.01318	0.6
195.02841	0.7
199.03868	1.1
203.03355	1.3
207.02835	0.8
216.03992	0.6
217.04938	7.9
217.06984	0.5
219.02902	0.6
221.04515	0.6
227.03386	0.9
229.04979	1.0
231.02917	0.5
235.05966	0.5
244.03645	0.8
245.04436	8.8
255.02936	1.2
263.05466	1.4
272.03015	0.7
273.03900	9.1
283.02496	0.4
284.49557	0.4
290.04184	2.2
291.04700	0.4
301.03412	2.2
301.11856	0.7
319.04449	100.0
320.04840	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	319.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36261	0.3
55.01843	0.6
57.23124	0.4
59.30891	0.4
60.66533	0.4
63.59469	0.4
64.28161	0.3
68.99777	3.4
69.71060	0.9
69.71471	1.5
81.03401	0.4
81.91939	0.4
86.89851	0.4
95.04951	0.5
97.02886	0.5
104.72069	0.4
109.02864	2.5
111.00775	3.9
111.04446	0.9
115.05413	0.6
121.02854	0.5
121.06464	0.6
125.02338	0.4
126.03143	0.5
127.03929	0.6
135.04381	1.2
137.02324	4.1
139.03935	0.7
146.50006	0.4
147.04326	0.7
149.02298	0.4
153.01813	22.3
161.05898	1.2
163.03857	3.2
165.01834	5.4
165.03110	0.7
166.02586	1.7
169.36064	0.5
171.04382	1.1
175.03818	0.4
177.05508	0.5
179.03346	3.2
183.02814	2.2
189.05402	2.1
193.01314	0.5
195.02852	1.3
199.03845	0.9
203.03380	1.6
207.02917	0.8
217.04944	8.5
221.04456	0.5
227.03384	0.7
229.04924	0.6
231.02809	0.5
235.02248	0.6
235.06137	0.7
244.03563	0.7
245.02402	0.3
245.04419	8.6
255.02870	1.0
263.05487	0.8
272.03204	0.5
273.03909	8.5
273.12524	0.5
283.02307	0.4
290.04160	2.0
301.03397	2.0
319.04446	100.0
320.04758	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	319.0442
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01863	0.4
57.28790	0.2
58.44368	0.2
65.03925	0.6
67.01851	0.5
68.99424	0.3
68.99776	4.1
69.03413	0.4
70.68466	0.6
70.68806	0.2
79.01846	0.4
81.03396	0.7
86.02819	0.2
92.23762	0.2
93.03392	0.4
95.01305	0.3
97.02851	0.4
105.07046	0.2
107.01318	0.2
109.02861	2.4
111.00786	4.7
111.04395	0.6
115.05444	0.4
121.02832	0.6
121.06490	0.4
123.04398	0.2
125.02354	0.4
126.03084	0.5
127.03867	0.7
133.02806	0.5
133.06438	0.3
137.02307	4.4
139.03909	0.9
143.03416	0.2
143.04924	0.2
145.81134	0.2
147.04381	0.6
149.02312	0.4
149.05934	0.2
153.01802	22.9
153.05443	0.6
154.02200	0.6
155.45943	0.2
161.02321	0.2
161.05913	1.0
165.01813	5.7
166.02579	1.1
167.03320	0.2
171.04431	0.7
175.03880	0.8
177.05405	0.6
179.03384	3.1
183.02882	1.8
183.04311	0.4
189.05460	2.4
191.03400	0.3
193.01350	0.7
195.02844	1.4
199.03868	1.0
200.04550	0.2
203.03343	1.4
207.02773	0.6
216.04189	0.4
217.04919	9.0
219.02847	0.7
221.04422	0.9
227.03323	1.0
229.04958	0.7
231.02855	0.6
232.03598	0.5
233.04263	0.2
235.02232	0.4
235.06018	0.7
239.01917	0.3
244.03619	0.8
245.04417	10.2
246.04849	0.4
255.02779	1.1
263.05484	1.2
272.03043	0.3
273.03894	8.0
274.04285	0.2
283.02271	0.2
286.50980	0.2
290.04175	1.8
291.04813	0.2
301.03430	1.7
302.03668	0.2
319.04428	100.0
320.04739	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.60390	0.2
55.01860	0.6
65.03915	0.5
67.01858	0.4
68.99780	3.9
69.03419	0.5
70.58887	0.7
71.01350	0.2
79.01835	0.3
81.03383	0.5
93.03419	0.4
95.01289	0.3
97.02891	0.6
109.02863	2.3
111.00788	4.9
111.04415	0.6
114.06624	0.2
115.05448	0.3
120.04484	0.2
121.02859	0.5
121.06487	0.5
123.04409	0.4
125.02339	0.6
126.03137	0.4
127.03876	0.4
133.02815	0.6
135.04430	0.2
137.02322	4.9
139.03876	0.8
143.03407	0.2
147.04398	0.8
149.02284	0.4
153.01814	23.5
154.02161	0.3
161.02393	0.3
161.05956	0.8
163.03839	0.3
164.07033	0.4
165.01817	6.4
166.02615	1.1
167.23842	0.2
169.01225	0.5
171.04395	1.0
175.03925	0.6
177.05455	0.8
179.03398	2.9
183.02884	1.9
187.03966	0.3
189.05447	2.2
193.01302	0.7
195.02898	1.2
199.03894	0.9
203.03372	1.4
207.02866	0.8
209.04428	0.3
217.04950	8.3
219.02869	0.4
221.04414	0.8
227.03427	0.7
228.07567	0.3
229.04962	0.6
231.02818	0.6
233.04399	0.4
235.02368	0.4
235.05936	0.8
239.01671	0.2
244.03621	0.8
245.04440	10.2
245.10274	0.9
246.04759	0.4
249.03888	0.2
255.02873	1.3
263.05484	1.1
272.03113	0.4
273.03918	8.8
274.04349	0.5
277.12943	1.6
283.02307	0.4
288.11142	0.5
290.04123	2.0
291.04935	0.5
301.03430	2.0
319.04453	100.0
320.04788	3.5
343.04318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0444
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01860	0.4
57.58873	0.3
65.03918	0.6
67.01849	0.6
68.99785	4.7
69.03420	0.6
69.70648	0.3
70.56892	1.0
79.01840	0.3
81.03381	0.8
93.03399	0.5
95.01302	0.3
97.02899	0.4
99.27513	0.3
103.05463	0.3
107.01259	0.3
109.02882	2.6
111.00791	4.6
111.04450	0.5
115.05434	0.4
121.02831	0.6
121.06493	0.6
123.04427	0.3
125.02348	0.5
126.03121	0.5
127.03884	0.7
133.02835	0.3
133.06451	0.4
137.01326	0.4
137.02333	4.3
137.03293	0.5
139.03870	0.7
143.03343	0.5
147.04382	0.6
149.06004	0.3
153.01811	25.3
154.16516	0.3
161.05963	1.0
162.08310	0.3
165.01807	5.8
166.02596	1.1
171.04425	1.3
175.03897	0.5
177.05475	0.8
179.03383	2.8
183.02863	2.2
189.01801	0.4
189.05469	2.2
191.03401	0.3
193.01315	0.6
195.02902	1.4
199.03909	1.1
203.03378	1.8
204.97536	0.3
207.02905	0.8
217.04936	9.1
219.02919	0.8
221.04454	0.8
227.03448	0.7
229.04980	0.7
231.02840	0.5
232.03679	0.7
233.04474	0.4
235.05925	0.6
244.03639	0.7
245.04434	8.4
249.03879	0.4
255.02846	1.3
263.05496	1.1
268.63290	0.3
272.03171	0.4
273.03909	9.4
290.04114	2.3
301.03488	1.3
319.04443	100.0
320.04742	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	319.0445
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01849	0.9
65.03939	0.5
66.84167	0.2
67.05474	0.5
68.99779	2.7
69.03433	0.3
69.07061	0.4
70.80784	0.9
71.61996	0.3
79.01834	0.5
79.05465	0.5
79.57147	0.2
81.03391	1.3
81.07046	0.9
87.59435	0.3
91.05450	0.5
93.03396	0.5
93.06131	0.3
93.07014	0.7
95.01317	0.9
95.04943	1.3
95.08582	0.5
97.02898	0.4
97.10173	0.6
105.03409	0.3
105.07012	0.5
107.01283	0.3
107.04951	0.6
107.08587	0.6
109.02858	1.0
109.06498	0.8
109.10133	0.4
111.00764	0.9
111.04426	0.4
115.05414	0.9
119.04834	0.3
119.08566	0.4
121.02841	1.4
121.06474	0.6
121.10143	0.5
123.00776	1.6
123.04431	1.1
125.02334	0.9
127.03915	0.6
131.04866	0.6
133.02769	0.5
133.06479	0.5
133.10114	0.3
135.08011	0.6
137.02333	22.4
137.03386	1.9
137.09634	0.3
141.01782	0.5
143.04884	0.9
145.10091	0.5
147.04384	1.6
149.02338	0.7
150.03149	0.7
151.00240	0.3
151.03943	0.3
153.01817	6.3
154.02147	0.4
161.05933	1.0
163.03947	0.6
163.11137	0.4
165.01860	1.6
169.01311	8.0
171.02975	0.6
171.04349	2.7
175.03847	1.0
179.03310	0.3
181.01297	1.8
185.00749	0.5
189.05428	1.8
195.02991	0.5
199.03902	3.9
201.05463	0.4
203.03372	0.8
217.04939	3.9
227.03329	2.2
229.05013	0.4
231.02829	0.8
235.05986	0.4
244.03600	0.4
245.04430	7.7
249.03940	0.8
255.02892	2.2
263.05463	1.1
273.03897	18.0
274.04227	0.9
275.05350	0.4
276.05490	0.3
283.02383	1.0
284.03098	0.4
290.04028	0.8
291.04889	0.6
301.03400	13.7
301.21643	0.4
302.03903	0.8
319.04440	100.0
319.22668	0.9
320.04797	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	319.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	62.7
61.02909	72.2
61.74912	16.9
69.03414	15.9
69.45419	44.9
69.45840	100.0
73.02906	38.4
85.02885	54.0
92.50510	17.6
97.02898	31.3
98.97569	77.6
101.00856	24.7
116.98633	21.6
119.01883	84.6
121.01665	29.0
127.03882	26.9
128.02287	40.8
128.98630	24.8
131.01878	49.2
133.01695	18.4
133.03462	36.7
137.02936	30.7
143.01918	34.7
145.03476	34.3
155.01801	22.1
161.02843	33.3
163.03857	22.5
164.79747	19.2
173.02940	39.6
175.02696	32.5
175.04611	21.2
177.00700	20.8
177.02263	17.9
184.03168	24.3
191.03896	24.5
192.02896	16.7
201.06102	16.4
203.03966	28.3
213.03378	61.0
213.53537	19.2
217.01958	38.0
220.04269	42.2
221.05045	23.3
229.04808	22.5
258.96436	18.8
259.06403	17.1
277.06134	22.7
289.07544	21.9
301.11807	44.5
319.04242	29.8
319.07495	81.7
319.10022	89.7
319.13300	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99639	1.4
69.00021	1.2
69.03316	0.7
70.24010	1.1
70.24409	0.7
79.05341	0.5
81.03293	0.4
83.04858	0.6
85.02787	0.9
86.09571	0.6
89.03770	0.8
91.05349	1.1
93.03277	0.8
95.04837	0.9
95.08464	0.5
97.02757	1.0
105.06881	0.5
107.04822	0.9
109.02691	1.5
109.26800	0.6
111.00602	2.1
111.04280	1.0
117.03265	0.6
119.04832	0.8
121.02625	0.7
121.06320	0.5
125.02213	0.8
127.03759	0.7
128.36769	0.5
131.04863	0.6
131.08369	0.5
135.04221	2.0
135.07928	0.6
137.02161	3.2
137.05746	0.4
139.03679	2.0
145.02654	1.3
147.04231	1.5
149.02269	0.6
149.05870	1.0
151.03685	1.8
153.01796	11.6
156.10150	0.8
157.08556	0.9
157.10330	1.4
161.05846	1.0
163.03908	6.5
165.01839	4.4
166.02177	0.6
166.04878	0.5
167.07054	0.6
169.01216	1.2
171.04259	0.5
171.09004	1.6
172.11006	0.5
174.08995	1.0
175.03767	0.9
177.05315	1.8
179.03255	2.2
181.06393	0.6
182.09512	0.9
183.02754	1.3
183.09087	1.3
184.09914	2.5
186.05286	0.7
189.05292	1.4
191.03302	0.5
194.08194	0.9
195.02736	1.3
197.07100	0.6
198.07764	1.2
199.03799	0.9
199.08498	2.0
199.12120	1.5
200.10594	1.0
203.03235	1.1
205.04890	0.6
207.02698	0.9
209.10614	1.1
210.11295	0.6
211.08530	2.1
211.12134	0.5
212.09404	4.9
213.10234	4.5
217.04926	3.8
225.10193	4.4
226.08957	0.7
226.10976	10.9
227.03299	0.8
227.11757	13.5
228.10197	5.8
229.09784	0.7
231.02672	0.8
241.09598	0.9
245.04419	6.8
245.12848	0.6
255.02777	0.9
255.06776	0.6
255.11201	7.9
257.09192	1.2
270.09970	20.0
270.12915	1.0
271.10703	4.3
272.11499	17.8
273.03970	5.5
273.12299	11.0
277.12961	1.4
283.10773	7.4
290.04178	1.8
301.11783	100.0
302.12122	5.4
319.04474	60.8
319.07806	2.1
319.12744	27.1
320.04776	4.4
320.13162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11696	3.5
50.64090	2.9
57.52637	3.6
69.85328	19.9
76.63835	3.0
84.78008	3.4
98.97625	7.0
101.00850	16.8
101.25789	3.6
111.05538	5.6
113.00880	4.1
115.02448	9.4
117.52946	3.2
119.01906	37.0
131.01910	15.6
133.03471	18.5
135.04980	3.5
137.02968	5.4
141.06572	8.3
143.01917	4.3
147.05020	8.5
155.01843	3.8
158.97798	3.9
159.05061	4.9
159.07570	7.4
161.02930	9.3
173.02914	11.4
177.06053	5.1
183.05006	4.2
187.00882	8.5
189.02563	3.5
189.06149	3.2
191.04042	4.2
200.83862	3.9
215.00343	8.7
219.07159	10.2
221.05057	4.1
229.01875	7.5
231.07095	9.5
245.05014	6.4
247.02936	18.6
261.07803	3.2
279.09158	3.2
321.11868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79354	1.9
56.05035	17.2
57.34008	1.7
58.99574	2.5
66.60968	1.8
67.01859	14.2
68.05022	9.2
68.99762	2.9
69.03417	2.9
70.06579	2.1
71.53372	2.9
81.05851	1.9
83.04932	2.3
84.04493	29.4
84.08149	2.4
85.02874	2.9
86.99052	4.3
90.94821	2.3
91.05473	3.4
93.03381	2.3
94.06570	4.8
95.04964	2.4
97.02876	3.6
98.97549	4.8
102.05528	2.3
109.02882	2.3
111.00807	2.0
112.07587	8.0
114.03742	9.9
114.05526	25.8
116.98617	3.1
119.01640	2.6
121.02869	2.3
123.04366	4.1
124.07607	2.3
125.02374	3.3
127.03905	4.3
128.98610	1.8
130.04990	3.6
134.99596	3.8
135.04416	2.3
139.03880	21.6
140.07074	12.5
142.04951	14.1
143.03424	2.6
147.04395	6.3
149.02342	3.2
151.03848	5.5
153.01833	5.2
155.03363	13.4
158.97403	2.6
161.01164	2.6
163.03865	13.2
168.06583	9.7
170.08101	7.8
174.05829	29.3
176.98402	2.2
177.00594	2.9
179.03372	7.2
186.07590	100.0
190.05339	2.0
203.03362	3.8
205.04959	2.6
215.03337	2.6
218.04794	31.2
219.06557	2.6
229.04863	3.6
231.03099	2.5
233.04437	3.4
234.98987	5.7
237.02789	3.7
243.07948	20.5
244.06395	5.4
247.06041	3.4
247.09619	5.1
257.04404	4.1
260.06729	3.1
275.05551	5.1
275.08768	2.7
279.07410	4.5
285.12140	3.3
288.06119	2.8
303.05023	5.1
303.10104	16.1
304.08398	4.4
308.70630	2.5
321.05911	4.8
321.09866	32.1
334.66525	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71888	1.0
54.22709	0.9
57.20732	0.9
58.42067	0.8
65.03941	1.3
67.01862	5.1
67.05476	3.0
69.03434	1.1
71.56150	2.1
71.93403	0.9
72.08129	1.2
72.26323	0.9
73.02920	1.5
79.05472	1.2
81.03424	1.1
91.05444	2.0
94.06547	3.5
95.04918	2.4
107.04964	1.1
108.08099	3.1
111.04408	2.2
112.07586	2.0
115.05428	1.0
118.06518	2.7
119.04904	3.8
120.08076	3.0
121.02827	2.1
122.06009	4.8
123.04404	4.4
131.02905	1.1
131.08568	1.1
136.07510	3.4
138.05409	1.5
138.09134	1.0
139.03877	7.7
145.07585	5.6
146.05980	4.8
146.08389	6.3
146.09418	1.0
147.04385	12.4
148.07542	2.2
148.11081	1.0
149.02327	5.6
150.05481	1.3
151.03748	1.0
151.88573	0.9
153.01826	9.4
154.02173	1.0
155.03371	2.4
158.09671	1.7
159.09126	1.7
161.07092	2.3
163.03885	1.4
163.08673	1.4
165.05434	1.7
166.08565	1.2
167.03273	1.3
173.05692	1.3
173.07089	20.4
173.10738	3.5
174.07829	9.5
174.09167	2.2
174.11516	2.0
175.12277	2.7
179.03352	1.3
183.09163	1.2
185.10783	1.0
189.10208	33.0
194.09636	1.3
195.02782	1.9
195.09134	2.0
196.09921	8.4
197.10687	2.3
201.05428	1.4
201.10223	5.0
202.10968	10.6
203.03409	1.6
203.11786	12.6
206.08385	11.9
209.10629	1.4
210.11424	1.8
211.08769	1.5
211.12224	8.4
213.10289	1.2
215.11757	1.1
219.06418	1.4
220.09872	2.0
221.10707	5.8
221.12715	2.1
223.06676	1.2
223.08559	5.4
224.09383	6.6
226.10831	1.2
227.08128	1.9
227.11887	1.3
229.04933	2.8
229.09695	3.0
229.13329	3.9
230.11647	1.2
231.11438	1.2
232.12076	4.4
237.10208	3.5
238.10973	5.0
239.08092	1.7
239.11765	20.6
241.09645	2.0
243.11209	4.5
244.12054	32.9
245.12758	1.9
247.05945	2.8
254.10240	1.2
255.11275	1.6
257.04291	1.6
257.12854	20.8
257.39496	0.9
262.13095	15.4
267.11261	30.2
268.11578	1.2
272.11630	2.4
275.05615	5.1
275.13901	16.9
285.12311	43.9
286.12613	1.1
290.12598	22.4
291.12637	1.0
293.14929	4.4
303.04889	2.0
303.09869	1.1
303.13309	29.5
304.13840	1.1
316.30450	1.0
321.05908	2.3
321.09756	14.6
321.14392	100.0
322.14767	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	321.2422
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03938	8.6
55.05509	50.7
57.03416	3.3
57.07063	6.2
59.04987	4.2
62.65606	2.3
65.03946	4.1
67.01855	4.3
67.05498	40.1
69.03439	11.1
69.07066	42.5
69.42475	4.2
69.42883	14.7
70.29413	2.0
71.04984	10.8
71.16114	1.8
73.06545	3.0
79.05492	32.0
81.03412	25.5
81.07051	100.0
83.04967	18.0
83.08605	11.6
85.06547	5.3
91.05476	22.3
93.07035	73.2
95.04962	88.8
95.08599	77.5
97.06541	15.4
97.10159	38.3
99.08085	5.1
101.05991	2.4
105.04527	1.9
105.07024	51.3
107.08588	60.4
109.02885	4.7
109.06507	22.6
109.10143	48.8
111.08077	10.5
111.11697	6.8
113.09686	2.9
117.03336	6.4
117.06996	5.3
119.08568	39.2
121.06512	5.1
121.10132	47.2
123.08076	9.9
123.11701	30.2
125.09653	10.8
131.08502	10.4
131.84267	2.3
133.10121	25.3
135.11664	34.4
137.09622	8.9
137.13196	4.5
139.11171	12.0
143.10686	6.8
145.02803	10.7
145.10120	16.5
147.11671	42.0
149.09621	6.6
149.13246	28.0
151.11150	15.2
153.12744	7.6
157.10155	2.5
157.12227	2.3
159.11679	16.7
161.09561	2.3
161.13232	15.9
163.11186	12.7
163.13560	2.2
163.14792	9.5
165.12706	16.2
171.11613	2.9
173.13339	8.5
175.14856	9.0
177.05490	16.1
177.12732	6.6
177.16298	3.7
179.14258	2.7
187.14819	14.5
189.16391	3.3
191.14290	3.9
193.15903	4.0
198.85788	2.5
201.16376	4.3
203.17856	2.1
205.15891	6.6
211.14806	3.4
215.17993	2.8
223.16920	3.2
233.15486	2.3
237.49760	2.4
257.22650	6.1
267.20944	5.0
275.23700	13.6
285.22104	11.9
286.27908	2.3
291.23318	2.8
293.24820	3.1
303.23166	67.0
304.23462	2.5
321.09644	19.9
321.24222	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03936	2.7
55.01847	3.0
55.05505	70.9
57.07057	5.7
59.04987	1.8
61.19753	1.6
65.03905	1.9
67.01842	2.5
67.05497	30.1
69.03401	6.1
69.07061	44.0
69.75826	10.8
71.01327	3.2
71.04966	9.1
77.28365	1.6
79.05482	20.7
81.07046	81.6
82.07355	2.3
83.04973	9.4
83.08604	12.2
85.06523	5.2
91.05463	18.4
93.06467	3.6
93.07031	60.1
95.04955	27.5
95.07982	2.5
95.08596	70.0
97.06507	9.9
97.10161	100.0
105.07021	36.4
107.08576	56.0
109.06502	16.4
109.10145	47.2
111.08060	6.9
111.11694	4.6
115.07558	2.3
117.06992	2.1
119.08570	36.2
121.06428	2.8
121.10131	42.4
123.08035	7.0
123.11706	27.6
125.09604	22.4
125.13246	3.7
125.25057	1.7
131.08554	7.3
133.10118	19.0
135.08002	3.3
135.11673	31.8
137.09592	6.6
137.13225	4.2
139.11139	9.0
143.08568	3.9
143.10651	34.6
145.10103	12.4
147.11673	30.0
149.09612	4.3
149.13242	17.4
151.11160	10.5
153.12701	3.7
157.10117	2.8
157.12202	3.9
159.11688	19.6
161.13231	13.5
163.11098	10.1
163.14827	6.6
165.12730	12.9
167.14307	2.3
171.10245	2.6
171.11678	1.9
173.11891	1.8
173.13167	9.8
175.14819	7.3
177.12694	6.6
177.16316	2.4
179.14294	3.3
181.12234	4.6
185.13301	2.2
187.14793	10.7
189.11150	4.1
189.16354	2.6
191.14253	3.6
193.15880	2.2
195.13831	4.0
201.16399	2.1
203.14191	2.0
205.15848	5.9
209.15324	2.8
223.16998	1.7
229.15926	1.9
230.21144	2.9
247.30580	1.6
257.22562	3.6
267.21039	3.5
273.22006	2.1
275.23608	12.5
285.22104	10.6
291.22955	3.6
303.19641	3.1
303.23129	57.3
304.23578	3.0
321.09790	6.1
321.24200	56.3
322.25693	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	321.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.8
62.30461	0.1
64.57714	0.2
69.86361	0.3
69.86768	0.6
71.95241	0.2
97.02886	0.2
98.97571	2.8
101.00843	0.3
113.03453	0.2
116.98606	2.7
119.01890	1.7
122.97778	0.3
134.99635	2.0
137.02943	0.9
140.98778	0.4
142.03491	0.1
153.00761	0.4
158.99905	0.5
172.57793	0.1
177.00931	13.9
178.01018	1.1
179.00752	0.1
182.99724	1.6
184.00014	0.2
195.01918	0.4
200.02515	0.3
201.00876	4.3
202.00981	0.4
202.93431	0.3
214.95569	0.2
216.98608	0.2
218.03587	0.5
219.01976	100.0
220.02098	7.4
221.02390	0.8
224.02567	0.3
232.92986	0.3
232.96599	0.2
234.99788	0.5
235.99950	0.3
236.99474	1.3
237.03072	0.3
238.95386	0.7
242.03580	6.1
243.03694	0.5
256.96594	8.0
257.96701	0.7
258.96674	0.3
258.99814	0.7
260.00217	0.3
260.04706	0.7
261.02975	0.8
262.03287	0.2
262.95587	0.5
263.02682	0.2
265.05176	0.3
272.94394	0.6
274.94098	1.1
274.97647	3.1
275.97748	0.4
276.04572	0.2
276.95578	0.2
277.00830	0.7
278.01147	0.5
278.26639	0.1
279.00742	0.3
279.98160	1.3
280.96442	1.1
290.95724	0.4
292.95050	0.7
297.99210	0.5
298.97641	29.6
299.05347	0.6
299.18668	0.2
299.97787	2.5
300.97980	0.2
301.00946	0.3
312.99225	0.3
314.95895	0.2
315.95901	0.2
316.92560	0.2
316.95682	0.3
316.98734	0.3
317.06357	0.2
317.43420	0.3
317.95151	0.3
319.93561	0.2
321.99194	4.1
322.99411	0.4
325.42319	0.2
325.92197	0.2
328.44238	0.9
328.94211	0.5
334.92590	0.3
334.96466	0.3
339.95212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0544
Annotation	7,7'-Dihydroxy-3,8'-biscoumarin
Peak:m/z	Relative Intensity
55.01850	1.4
55.05495	0.7
65.03922	0.8
71.52806	0.4
71.53226	0.7
89.03911	0.7
95.04911	0.8
105.03390	0.9
107.04921	0.8
111.04415	1.1
116.09722	0.4
117.03290	0.5
121.02827	1.1
123.04381	2.3
125.30622	0.5
133.02821	2.1
134.03600	0.6
137.02313	0.9
139.03845	1.0
141.06976	1.1
144.08057	0.6
145.02792	2.5
147.04387	0.9
149.02335	1.8
149.06020	0.6
151.03883	1.0
152.06190	0.7
153.06934	0.7
155.03343	1.3
155.08498	0.7
161.02289	2.3
162.03096	1.0
163.03882	3.0
165.06975	17.9
166.07408	0.9
167.03450	0.5
168.05557	0.5
169.06458	1.7
173.02330	1.1
175.03813	0.5
175.08611	1.3
176.06042	2.2
177.05429	2.5
177.06955	3.5
181.06436	1.2
182.07246	0.5
183.08012	0.9
187.03819	0.6
189.10274	0.8
190.09763	0.5
192.05751	0.7
193.04768	0.9
193.06458	13.3
194.06934	0.6
195.07840	0.6
197.05981	2.4
201.01714	0.7
203.04892	1.3
203.08147	1.9
205.06447	5.6
210.06758	0.8
211.07500	4.4
217.09683	2.9
220.05212	0.5
221.05942	34.7
222.06468	1.6
223.07567	2.3
225.05460	2.4
231.04362	1.1
233.05934	3.9
235.10727	0.6
237.05367	0.8
239.04855	0.4
239.06987	8.8
245.09189	1.3
248.04617	0.5
249.05426	40.4
250.06075	2.8
251.06985	1.9
253.04944	0.7
259.03903	0.8
261.05408	3.0
263.10242	5.4
266.05792	1.0
267.06482	9.4
268.06836	0.6
277.04910	26.8
278.05505	1.7
279.06473	5.1
281.04440	1.4
291.09744	1.6
294.04907	0.4
295.05963	39.6
296.06293	1.7
305.04361	9.6
323.05444	100.0
323.12244	7.2
324.05685	4.7
324.15366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55097	5.4
64.97322	5.8
70.58169	9.9
70.58556	14.0
99.19512	5.1
119.01871	6.1
143.01895	21.6
149.83350	5.5
161.02963	37.6
173.02960	15.4
191.03984	10.1
208.82706	7.3
237.67607	5.7
263.05923	6.4
323.07343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0757
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
51.02369	1.2
53.03947	2.0
55.01859	4.4
64.13087	0.9
65.03922	1.5
67.01855	4.7
67.05488	3.8
68.99783	9.6
69.03415	2.9
69.70269	0.9
69.79234	2.8
69.79645	3.8
70.06588	2.9
71.05000	2.2
74.75680	0.9
75.13574	0.9
78.04684	2.9
79.05461	1.9
81.03395	2.8
81.07049	1.3
82.62978	0.9
83.01334	5.4
85.02881	1.9
86.09703	1.5
89.03883	1.0
91.05479	3.2
91.64405	1.0
93.07107	1.3
94.55772	1.1
95.04965	5.2
97.02895	1.8
98.06021	1.0
99.04440	1.2
103.05442	1.1
105.03374	2.7
105.07016	2.1
107.04925	1.9
109.02851	5.3
111.00783	2.2
111.04421	3.8
113.02346	1.8
115.05444	2.3
117.06967	1.2
119.04935	6.0
120.08088	1.2
121.30141	1.0
123.04411	82.7
124.05216	24.7
125.02342	3.0
127.03889	4.1
129.06958	2.2
131.04933	1.4
133.02870	1.4
133.06464	1.1
135.04378	5.9
137.02333	6.8
139.03886	39.3
141.01764	1.4
143.04889	1.4
144.08090	6.3
145.02843	2.1
147.04399	12.4
149.02293	2.5
149.06015	1.7
150.03113	1.3
151.03859	5.1
152.04674	16.0
153.01807	5.9
154.02614	6.2
155.03374	100.0
156.03822	1.2
156.08093	3.1
157.33934	1.1
158.09669	2.6
160.19693	1.0
161.05965	3.0
163.03903	9.4
165.05437	3.2
165.07062	1.2
167.03403	3.4
168.08073	1.4
169.04959	1.1
171.02888	3.1
171.04411	1.6
173.05898	1.1
176.10316	1.9
177.05447	5.2
179.03387	4.4
180.03879	1.1
181.04915	1.6
182.02182	1.5
183.02879	4.6
186.09108	3.4
189.05487	2.4
193.04913	1.9
197.04451	1.6
213.05461	2.2
217.05029	2.4
221.06085	2.3
231.06319	1.6
241.04974	2.3
243.06549	1.3
245.04425	2.4
249.05544	1.3
249.16806	1.0
259.06100	1.8
263.05490	1.3
263.10339	1.5
269.04520	1.3
277.04974	1.2
277.84558	1.1
287.05603	2.1
290.07867	1.8
295.05798	1.4
301.83401	1.1
305.06702	2.8
305.11096	1.1
306.13358	4.5
323.05411	3.5
323.12628	1.7
323.15927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0757
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
52.28319	0.7
53.03940	1.4
55.01847	1.6
65.03926	2.9
67.01852	2.4
67.05485	3.0
68.99774	6.7
69.03408	3.0
71.52912	1.3
79.05479	4.5
79.07520	0.7
81.03391	2.7
83.04964	1.8
85.02885	0.8
89.03896	1.0
91.05519	0.9
91.06109	0.7
93.03383	1.6
93.07047	0.9
95.04955	6.0
97.02870	7.3
99.04444	3.0
103.80836	0.8
107.04947	7.6
109.02866	3.1
111.00792	1.9
111.04417	6.3
117.03362	1.4
119.04962	0.8
121.02821	2.8
121.06463	0.9
123.04430	10.1
127.03890	5.8
131.04849	0.7
133.02840	2.1
135.04391	10.2
137.02330	1.8
139.03882	100.0
140.04247	1.8
143.03409	0.9
145.02850	1.1
145.06520	1.0
147.04381	3.8
149.02350	1.9
149.05960	1.1
151.03877	10.1
153.01843	1.7
153.05489	1.9
155.03371	39.2
156.03690	3.6
157.06535	1.0
159.04364	1.6
160.07645	0.8
160.49794	0.8
161.05966	1.0
163.03885	26.7
163.92233	0.8
164.04185	1.2
165.05440	1.1
167.03378	3.1
169.04947	2.1
173.05986	1.7
175.03889	2.8
177.05434	1.5
179.03386	8.5
181.04924	17.5
185.06039	1.1
189.05438	1.7
191.07117	0.8
193.04926	5.1
197.05968	1.1
199.03954	1.6
201.05420	2.3
201.56686	0.8
203.03372	3.0
212.04675	2.8
213.05405	2.8
215.06982	2.9
217.04942	2.4
219.06479	0.8
231.06491	1.4
235.05975	0.9
240.04147	4.2
241.04892	2.4
243.06506	3.6
245.04446	3.0
246.96393	0.7
259.05960	3.3
261.07550	5.7
263.10217	0.8
269.04462	14.2
270.04834	1.0
277.07010	1.2
287.05475	14.5
305.06519	6.9
323.07513	2.4
323.12723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71549	0.3
51.02366	0.3
53.03918	0.4
65.03938	0.9
69.07058	0.3
69.88708	1.4
77.03887	0.4
79.05468	1.8
81.07028	0.3
85.41786	0.2
91.05464	20.2
92.05793	0.4
93.06997	0.3
94.77235	0.2
95.04963	0.5
95.08572	0.4
98.21481	0.3
105.03399	0.6
105.07006	1.0
108.76000	0.2
118.47581	0.2
119.04923	18.5
120.05298	0.3
123.11801	0.3
128.06181	2.3
131.04898	0.5
133.06445	0.9
135.04391	51.9
136.04750	1.0
137.05954	4.2
143.08534	10.3
145.06461	0.3
145.10094	0.3
149.05957	100.0
150.06306	2.5
158.07260	0.3
163.07516	6.7
163.08789	0.5
171.08034	7.6
173.05983	0.4
186.06726	3.6
187.07474	0.6
188.08282	0.4
201.09073	25.2
202.09418	0.5
209.05894	0.3
218.02562	0.3
221.05916	0.4
223.07504	0.8
236.08232	0.5
250.06245	0.7
251.07016	0.5
263.10742	0.3
264.07803	0.4
279.06570	0.5
280.07339	2.1
281.08047	0.5
293.11517	0.4
294.08832	1.4
323.12729	15.1
324.13123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00581	0.3
53.03944	0.6
55.01853	0.4
55.05506	1.9
57.07064	0.6
64.73544	0.3
65.03917	0.3
67.05502	2.5
69.07069	2.3
70.73100	0.7
70.73502	0.7
79.05482	4.2
81.07043	6.3
83.08595	0.8
88.99162	0.3
91.05470	4.4
92.09714	0.3
93.07030	4.6
95.04944	0.5
95.08601	5.5
97.06500	0.3
103.05462	0.4
105.07018	6.3
107.08578	5.5
109.06490	0.9
109.10138	1.0
113.05949	0.4
115.05415	0.6
117.06992	2.0
119.08572	3.0
119.41616	0.3
121.06461	0.3
121.10159	1.5
123.08042	0.4
128.06186	2.1
129.06993	3.8
130.07784	0.6
131.08551	3.7
132.45634	0.3
133.09090	0.4
133.10104	6.0
135.11668	0.7
141.06956	2.9
142.07750	3.8
143.08540	7.3
144.09315	0.6
145.06447	0.7
145.10114	3.5
147.07935	0.3
147.11649	1.1
151.07460	0.4
152.06209	0.6
153.06984	1.8
154.07716	0.9
155.08531	5.0
156.09326	2.0
157.06493	0.4
157.10100	13.2
158.10817	0.5
159.11661	3.0
163.07378	0.3
165.06976	3.4
166.07776	1.8
167.08540	4.9
168.09338	2.2
169.06433	0.6
169.10104	5.5
170.10754	0.4
171.07979	0.4
171.11673	5.1
173.09651	0.4
173.13237	1.4
178.07741	1.6
179.08524	6.6
180.09282	2.6
181.06451	0.7
181.10083	9.2
182.10847	2.4
183.08052	0.7
183.11665	11.3
184.12325	0.4
185.09653	0.4
185.13208	1.9
187.07535	0.7
188.08290	0.6
189.08916	0.4
190.07759	0.3
191.08528	1.3
192.09300	2.2
193.06422	0.7
193.08310	0.5
193.10109	9.3
194.10867	4.5
195.08011	0.7
195.11662	9.7
196.12370	1.5
197.09584	0.8
197.13245	4.2
198.13892	0.4
201.09096	1.0
203.08643	0.4
203.10660	2.8
204.09355	0.6
205.10078	2.7
206.10873	3.7
207.08073	4.6
207.11658	9.1
208.08836	0.3
208.12411	4.6
209.09654	0.6
209.13223	6.6
210.13965	0.9
211.07436	0.5
211.11278	0.4
211.14799	1.7
213.09010	0.5
215.08743	0.4
215.10658	1.6
217.10309	0.5
217.12210	1.6
218.10835	0.5
219.08041	0.8
219.11641	3.1
220.08813	0.3
220.12440	2.7
221.09703	5.3
221.13203	11.2
222.13907	1.5
223.11270	0.5
223.14784	15.5
224.15353	0.8
225.09140	1.9
225.12639	0.7
225.16338	1.0
226.09677	0.3
227.10568	0.7
227.14262	0.3
229.12085	1.7
229.69954	0.3
231.11674	0.9
232.12436	0.5
233.09686	1.7
233.13190	3.0
234.10393	0.5
234.13980	1.6
235.11127	1.4
235.14763	9.5
236.15483	0.5
237.12708	0.4
237.16315	1.5
238.17184	1.0
239.10574	2.8
239.14314	0.5
239.17931	0.9
240.18718	1.3
241.12196	2.2
243.13817	1.4
245.13243	1.4
247.11168	0.8
247.14783	2.7
248.11952	1.1
248.15533	2.0
249.12657	2.6
249.16324	3.4
250.17082	0.4
251.18027	0.5
252.11432	0.5
253.12151	3.4
255.13715	0.7
261.16370	0.7
262.17075	2.0
263.14294	8.4
263.17899	5.3
264.18384	0.4
265.12253	1.7
266.12949	0.4
267.13782	7.1
277.19452	13.0
278.20004	1.0
279.13791	0.7
279.20999	0.7
280.14597	1.5
280.91193	0.3
281.15353	4.5
282.81598	0.3
287.17841	0.7
291.32895	0.3
293.15335	3.8
295.17163	1.4
295.20108	0.5
305.18903	4.6
308.17700	3.7
323.20004	100.0
324.20358	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	323.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.5
55.05510	2.5
57.07042	0.6
59.53262	0.3
67.05501	3.0
67.07862	0.4
69.07060	2.3
69.68217	2.4
79.05457	2.6
81.07050	5.0
83.04960	1.1
83.08604	1.9
83.29050	0.4
83.35847	0.4
91.05463	3.7
93.07029	5.9
95.04930	0.8
95.08598	6.8
97.10175	0.5
99.80602	0.4
105.07016	4.0
107.08583	3.8
109.06505	0.6
109.10136	2.4
111.04425	0.5
115.05437	0.9
117.07002	1.2
119.08549	3.0
121.06462	0.5
121.10128	0.9
123.08057	0.8
125.09627	0.4
128.06203	1.3
129.06984	4.9
131.08543	3.8
133.10100	2.8
135.07935	0.4
141.06960	3.1
142.07777	4.1
143.08557	4.8
144.09309	0.5
145.06468	0.8
145.10097	3.5
145.13988	0.5
147.11635	1.2
153.06937	2.1
154.07745	1.3
155.08546	5.8
156.09358	2.0
157.06470	0.4
157.10115	8.4
159.08061	1.7
159.11674	2.8
161.09541	0.6
163.07486	0.5
165.06969	3.7
166.07790	0.9
167.08533	4.2
168.05727	0.7
168.09334	3.0
169.10115	9.1
170.10767	0.9
171.08046	1.4
171.11655	4.2
173.09630	0.7
173.13234	0.7
178.07758	0.7
179.08542	5.2
180.09346	3.2
181.10083	7.6
182.10818	2.4
183.08032	1.1
183.11670	12.4
184.12341	1.2
185.09637	1.1
185.13235	2.7
186.06740	1.7
187.07536	1.2
187.11133	1.2
191.08536	1.1
192.09332	1.7
193.10098	6.0
194.10846	2.8
195.07993	0.7
195.11673	16.3
196.12340	1.1
197.09554	1.3
197.13239	3.1
199.07611	0.5
199.11050	0.8
201.09081	4.8
201.12753	1.6
203.10762	0.9
204.09267	0.4
205.10086	1.3
206.10832	2.6
207.08304	0.5
207.11661	8.4
208.08829	0.4
208.12390	3.0
209.09647	0.7
209.13214	6.7
210.13890	1.2
211.11186	1.2
211.14795	1.5
213.12668	1.9
213.16338	0.5
215.10640	3.7
217.10048	0.5
217.12080	0.6
218.10947	0.6
219.11681	2.8
220.12381	2.0
221.09749	0.6
221.13223	10.9
222.13939	2.2
223.11397	2.2
223.14789	10.0
224.15486	1.6
225.09062	1.0
225.12730	1.0
225.16348	0.9
226.09851	0.5
227.10641	4.9
227.14330	0.4
229.12209	7.0
230.12553	0.5
231.11765	0.5
233.13177	2.6
234.13963	1.7
235.11218	0.7
235.14774	9.9
236.15309	0.7
237.12605	0.5
237.16313	1.3
239.10547	1.1
239.14497	0.9
239.17928	0.8
241.12227	9.9
243.13829	1.1
247.14767	3.0
248.11804	0.5
248.15581	3.4
249.12759	2.4
249.16380	3.9
250.17072	0.5
251.18024	0.9
253.12212	5.2
253.15736	1.9
255.13776	1.2
261.16391	0.5
262.17075	2.3
263.14270	1.4
263.17917	4.7
264.18530	0.5
265.12268	0.7
265.15701	0.4
266.13049	0.5
267.13779	7.6
268.14355	0.8
277.16165	1.0
277.19455	17.2
277.22485	1.0
278.20087	2.3
279.20950	0.8
280.14478	1.0
281.15335	3.1
287.18121	0.5
293.15445	0.6
294.15863	0.7
295.16861	1.6
295.20541	1.4
305.18958	4.9
308.17691	1.2
323.20007	100.0
324.20331	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	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03934	1.0
55.01858	0.6
55.05503	46.3
56.05812	0.6
57.03431	1.6
57.07055	1.9
57.47032	0.5
57.97443	0.5
67.05496	5.0
68.88489	0.6
69.03431	0.7
69.07057	15.5
71.04990	0.9
71.08632	0.7
71.57251	0.6
79.05486	2.9
81.07049	19.3
83.04991	0.8
83.08613	4.4
85.06534	2.2
87.08103	1.1
91.05490	1.8
93.07035	7.5
95.04951	0.7
95.08603	14.8
97.06532	1.6
97.10158	100.0
98.10488	1.5
99.08081	1.2
105.07005	3.4
107.08575	10.3
109.06516	1.0
109.10146	7.6
110.10484	0.4
111.08063	1.6
111.11710	1.0
113.09657	0.8
116.98592	0.5
119.08584	3.1
121.10119	6.2
122.97691	0.5
123.08067	1.3
123.11692	7.3
125.09616	19.3
127.11208	0.6
131.31750	0.6
133.10135	2.0
135.11673	4.3
137.05962	1.0
137.09578	1.1
137.13248	4.0
139.11067	2.4
141.09035	0.7
143.10657	46.4
144.11000	0.5
147.11661	1.6
149.13248	4.2
151.11160	0.6
153.12743	1.1
157.12256	0.9
159.11703	0.7
161.09602	0.5
161.13266	2.2
163.11220	0.6
163.14821	5.0
171.10164	3.6
175.14790	0.6
177.16339	0.9
179.03403	0.6
179.14304	2.1
189.11200	9.2
189.16302	1.2
191.64258	0.5
199.07555	0.6
203.17958	1.0
209.15346	0.7
223.55869	0.5
235.16870	1.8
249.18523	1.1
249.22260	0.5
259.24268	0.6
269.22815	0.7
277.25262	1.0
287.23608	0.5
291.10144	0.6
305.24704	12.6
323.12677	1.3
323.25821	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	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
50.05689	0.6
53.03934	1.5
53.39369	0.6
55.05505	45.1
56.05848	0.8
57.03419	1.0
57.07065	1.1
59.04989	0.8
67.05498	5.5
69.03406	1.5
69.07061	16.7
72.90485	0.6
79.05475	3.7
81.07050	18.8
82.07412	0.9
83.08605	4.6
85.06531	2.8
86.79597	0.6
87.04498	0.7
91.05469	1.8
93.07038	7.9
95.04960	4.5
95.07970	0.9
95.08598	16.1
96.08875	0.7
97.06532	1.4
97.10158	100.0
98.10503	1.9
99.08079	1.4
105.07033	4.0
107.04929	1.4
107.08579	9.1
109.06493	1.5
109.10145	9.4
111.08064	2.2
111.11689	1.2
119.08594	3.3
120.05896	0.8
121.10126	6.2
123.11688	7.8
124.07629	1.0
125.09615	22.7
126.09991	1.0
126.41913	0.6
130.93217	0.6
131.08588	0.7
133.10101	3.4
135.11697	4.5
137.05975	1.1
137.13240	3.0
138.03658	0.7
139.11156	2.5
143.10660	44.4
144.11014	0.9
145.10107	0.9
147.11685	1.2
149.09613	1.1
149.13249	5.4
151.11226	0.8
153.12709	0.9
157.12207	0.8
161.13261	1.9
163.10976	0.6
163.14848	3.6
165.12727	1.3
166.08633	0.8
170.18695	0.7
171.10214	3.0
175.14810	0.8
179.14301	2.6
189.11189	9.8
189.16373	0.9
191.14658	0.8
209.15385	0.6
213.16438	0.9
221.15224	0.7
235.17038	0.9
249.18449	1.0
259.24234	0.7
277.25110	1.0
291.10114	0.8
305.24686	11.3
306.25198	0.9
323.05695	0.8
323.09293	0.9
323.12762	2.3
323.25797	13.3
324.25998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03926	1.1
55.01863	1.1
55.05505	49.6
57.03431	1.8
57.07063	2.0
59.04981	0.6
65.03936	0.6
67.05497	6.4
69.03413	1.7
69.07061	20.4
70.81581	1.7
71.04977	1.1
73.06558	0.6
79.05492	3.7
80.58472	0.6
81.07048	22.6
83.04986	1.0
83.08616	4.6
85.06536	2.2
87.08107	0.5
91.05477	2.0
93.07040	9.2
95.04932	0.6
95.08598	20.5
95.09216	1.0
97.06520	2.2
97.10159	100.0
98.10471	1.3
99.08066	2.0
105.07035	4.5
107.08578	12.1
109.06486	1.7
109.10146	9.1
111.08058	3.2
111.11712	1.8
113.09621	0.6
119.08558	3.2
121.10134	7.8
122.03661	0.6
123.08068	0.7
123.11685	9.8
123.12540	0.7
125.09616	19.9
125.10530	1.0
133.10132	3.0
135.11667	5.7
137.05975	3.6
137.09636	0.9
137.13240	5.7
137.84618	0.6
139.11148	6.5
143.10657	41.9
144.10989	0.9
145.10049	0.8
146.03677	0.6
147.11687	2.2
149.13245	8.9
151.11183	1.5
153.12776	2.0
157.12230	3.3
161.05971	2.8
161.13274	2.4
163.14799	4.1
171.10133	3.9
175.14822	0.9
177.16357	1.0
179.14250	3.1
189.11176	6.7
189.16429	1.5
199.07582	2.1
202.07779	0.9
203.08501	1.7
203.12749	0.9
207.17484	0.6
209.15355	0.9
219.08308	0.9
231.08049	1.7
235.17004	1.2
248.08377	1.6
249.18472	0.9
259.07483	1.1
259.24179	0.8
263.10654	1.8
269.22797	0.8
276.07690	0.7
277.25247	1.1
287.23666	1.6
291.10049	4.7
292.10712	0.6
295.13416	0.7
305.24728	10.7
323.12677	3.9
323.21945	1.0
323.25754	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
52.37639	1.1
53.03927	1.3
55.05504	49.1
57.03418	1.1
57.07072	2.7
63.84670	0.9
67.05499	8.3
69.03426	2.2
69.06702	1.9
69.07059	24.0
71.04982	1.5
71.09309	2.5
74.78565	0.8
79.05477	6.2
81.07047	21.9
83.08610	5.8
85.06540	3.1
87.08097	1.0
91.05481	3.0
93.07039	10.7
95.04932	1.2
95.08596	20.8
97.06519	3.1
97.10159	100.0
98.10518	1.4
99.08051	1.6
104.07043	0.9
105.07003	4.6
107.08578	12.0
109.06502	2.1
109.10135	12.2
111.08065	3.0
111.11694	1.2
119.08554	5.0
121.10130	8.2
123.08054	2.0
123.11708	9.6
125.09628	19.3
129.07031	1.2
131.08514	1.0
133.10094	3.7
135.11688	3.8
137.06006	1.0
137.09734	1.2
137.13243	5.3
139.11215	2.6
141.06987	1.0
143.10654	42.4
147.11688	2.7
149.09608	1.4
149.13248	10.6
151.11160	1.6
153.12726	2.4
157.10135	1.3
157.12254	1.2
159.11667	1.9
161.09641	1.1
161.13208	2.6
163.14816	3.7
165.12665	1.3
167.10689	1.0
167.14301	1.4
171.10155	2.7
173.13191	1.0
175.14853	2.0
179.14284	1.7
189.11198	7.4
189.16370	2.2
201.16284	1.3
207.17456	1.0
223.17038	0.9
235.16861	1.5
240.88330	0.8
263.10440	1.2
277.25266	1.7
287.23697	2.7
305.24695	9.8
323.09338	1.2
323.12671	2.1
323.19727	1.0
323.25754	10.5
332.93774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03934	1.6
54.97274	0.4
55.05504	46.8
56.05830	0.7
56.50355	0.5
57.03427	1.5
57.07056	1.4
59.04993	0.6
66.74065	0.5
67.05495	5.1
69.03419	1.3
69.07059	18.2
70.48354	1.7
79.05478	3.2
81.07047	17.4
81.07413	0.3
83.04969	0.5
83.08603	3.2
85.06535	2.0
87.08110	1.0
91.05473	1.2
92.78172	0.5
93.07030	6.0
95.08600	16.4
97.00343	0.5
97.06524	1.6
97.10158	100.0
98.10497	2.1
99.08080	0.6
104.64357	0.5
105.07029	1.8
107.07881	0.3
107.08578	8.3
109.06503	0.6
109.10146	7.6
111.08078	2.0
111.11720	1.7
119.08584	2.1
121.10128	5.8
123.08090	0.6
123.10890	0.9
123.11696	9.1
125.09612	17.9
126.09978	0.5
128.08243	0.5
133.10120	1.9
135.11696	3.0
137.09595	0.5
137.13249	4.0
139.11150	3.0
141.56895	0.5
143.10652	39.4
144.10979	0.6
147.11705	1.4
149.13255	5.4
151.14780	0.7
153.12680	1.3
157.12173	2.3
159.11682	0.5
161.13255	2.2
161.70764	0.5
163.14833	3.9
167.14403	0.5
171.10144	3.5
175.14737	0.7
177.16376	0.8
179.14311	2.0
189.11230	6.5
189.16423	1.1
191.14253	0.8
207.17502	0.6
223.16739	0.6
235.16965	0.7
249.18463	0.7
277.25162	0.7
287.23694	1.6
305.24728	10.2
323.25775	11.6
324.26062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03944	1.8
55.01866	0.6
55.05495	0.7
57.03422	0.8
57.07044	0.5
63.02339	0.8
67.05479	1.5
69.03419	4.9
69.07060	0.8
69.19325	3.2
69.19737	0.6
71.04975	1.2
73.02869	0.4
79.05498	1.9
81.03408	13.2
81.07037	2.4
82.03717	0.5
83.08617	0.5
83.84033	0.3
85.02411	0.5
85.02894	5.8
89.03905	8.2
91.05471	0.4
93.07017	0.8
95.04939	0.4
95.08572	1.5
97.02865	1.0
97.10168	0.5
99.04440	2.0
105.07000	0.7
107.04951	2.6
107.08572	0.8
109.02858	4.8
109.10144	1.8
110.05973	0.4
111.08058	0.4
117.03363	9.0
121.10104	0.7
123.11657	0.9
127.03889	1.5
131.04941	0.5
135.04399	20.3
135.11624	0.6
136.04744	0.6
137.06001	0.6
137.13234	0.5
138.97467	0.3
145.02829	14.2
146.03203	0.4
149.13216	0.6
163.03882	100.0
164.04239	3.2
181.04918	2.4
235.41618	0.3
265.07062	0.4
307.08099	11.6
308.08435	0.9
325.09711	0.5
325.14304	0.5
325.27390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05504	0.4
57.03419	1.1
63.02362	0.4
69.03419	6.0
69.07066	0.6
69.32262	2.9
71.01340	0.6
71.04982	0.7
79.05470	1.0
81.03400	2.3
81.07041	1.1
85.02895	3.6
89.03905	6.0
93.07054	0.3
95.04973	0.3
95.08580	1.2
97.02882	16.9
99.04458	0.8
101.02350	0.7
105.07043	0.4
107.04948	1.8
107.08549	0.3
109.02843	1.0
109.10133	0.5
117.02608	0.5
117.03368	7.1
121.10157	0.4
127.03895	1.5
133.10074	0.4
135.04401	16.1
136.04700	0.6
137.05946	0.7
144.18343	0.3
145.01743	0.6
145.02835	10.5
145.03999	0.5
149.13177	0.3
152.22015	0.3
163.03885	100.0
164.04189	2.6
171.11690	0.3
175.07469	0.6
181.04910	3.3
187.07594	0.3
261.21692	0.3
307.08057	2.3
316.17227	0.3
325.09128	6.2
325.14029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01863	7.4
56.50661	2.6
56.96553	35.7
57.03434	24.7
61.02922	55.0
69.03419	36.7
70.98102	2.9
71.04962	5.7
71.51890	2.8
73.02915	25.4
73.80515	2.4
78.34067	2.7
79.26804	2.3
81.03407	8.7
81.07035	3.7
83.04958	5.6
83.50884	2.8
84.96028	5.2
85.02895	100.0
86.03189	2.7
91.03953	6.0
91.05479	4.2
93.03402	3.2
95.04976	4.8
96.01537	3.8
97.02886	32.7
98.01258	4.6
98.97572	41.7
99.04437	7.7
101.00768	3.3
101.02419	7.6
105.03368	3.6
106.44464	2.4
107.04906	3.0
109.02828	8.8
110.01232	9.4
110.97547	7.4
113.02335	8.3
116.98607	23.9
117.02003	3.2
117.03360	2.9
118.03706	3.7
119.01806	37.5
123.04468	5.8
124.01085	3.5
125.01710	3.2
126.02522	3.9
127.01499	3.4
127.03886	41.7
128.02280	34.0
128.52562	3.5
128.98607	16.6
131.00182	4.9
132.00829	4.2
132.02550	7.4
133.01491	3.3
134.02269	4.0
134.45177	2.8
134.99634	8.3
135.03059	17.8
135.04221	4.3
137.02812	15.2
139.01572	3.9
139.53099	3.1
140.02280	2.8
141.01295	3.8
144.03577	6.7
145.01620	7.0
145.04939	24.2
145.07596	12.5
146.99602	14.3
150.01767	8.7
150.24677	2.6
153.01172	4.3
158.99646	9.7
160.01932	3.7
160.97556	4.3
161.01237	5.7
162.01851	5.6
162.03621	3.3
163.02710	10.0
163.04236	19.3
163.08650	3.1
165.00670	7.1
170.99666	5.5
171.02303	4.7
171.04980	6.5
172.95241	4.2
173.02890	5.5
174.99117	4.0
175.02605	7.6
176.03447	3.1
177.00711	8.6
177.02313	9.3
177.03975	3.1
178.03078	3.9
183.02357	18.1
186.99153	3.4
187.02798	4.1
187.04480	3.6
188.97043	6.5
189.00674	15.3
189.02266	3.4
190.03108	10.4
190.98636	3.5
191.03836	3.0
192.02759	17.0
193.00218	9.3
195.01601	3.3
197.02937	7.5
199.03590	5.2
201.00696	10.2
202.98602	4.8
203.02135	3.4
203.53583	3.1
204.02899	7.3
204.04739	7.6
204.97620	2.9
205.00153	6.8
205.01898	3.6
205.03745	4.0
206.98178	2.9
207.01723	6.7
213.03366	53.4
213.05243	4.7
213.53499	8.9
214.06039	3.6
215.04018	12.5
217.00226	5.3
217.03687	4.5
219.01698	10.4
220.04156	32.2
220.54387	4.0
221.03056	3.8
222.03836	21.4
223.01131	4.4
223.04616	7.6
226.04123	6.3
229.04764	5.3
230.98071	7.1
232.99623	3.8
233.05098	3.3
233.54823	2.9
235.01164	4.0
235.06561	15.5
235.56609	4.4
236.53017	3.2
237.02803	13.5
244.07031	14.7
247.01132	4.3
248.99019	4.0
249.02856	4.0
251.04453	3.8
263.00610	3.1
267.03604	3.3
269.05164	2.8
283.02689	2.9
307.08884	4.9
325.07965	4.9
325.13791	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	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
54.27900	0.5
55.01858	1.5
57.03435	2.9
69.03424	17.9
69.32466	4.8
71.01330	1.5
71.04987	5.0
73.02879	0.8
75.04468	0.5
79.05466	1.3
81.03410	14.9
85.02883	1.1
91.05450	1.6
92.84131	0.4
93.07027	0.6
95.04980	0.7
97.06528	0.5
99.04445	5.7
103.05409	0.6
105.07008	1.3
107.04923	1.0
107.08571	4.1
109.02855	0.5
115.05417	0.9
116.05028	0.7
117.05506	1.2
117.06982	1.1
118.06521	5.0
127.03938	0.7
131.04930	0.7
135.08051	5.0
137.05946	2.6
145.07594	7.0
147.08076	0.4
147.09148	8.0
151.07518	0.9
161.07092	0.5
162.07903	0.9
163.03883	1.7
163.07524	4.3
163.08716	1.0
173.07098	13.0
175.08661	5.6
181.08537	1.0
191.08134	100.0
192.08508	1.4
205.09758	0.7
213.10167	0.5
233.09225	1.5
289.11789	2.2
293.11606	0.4
301.86255	0.4
307.12851	32.3
308.13098	1.0
325.13895	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	325.1393
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.05505	0.7
55.40031	0.3
56.96554	3.2
57.03413	0.4
61.02919	0.5
65.03921	0.4
69.03432	1.5
70.06596	0.4
73.02870	0.4
73.29060	0.3
75.66508	0.4
79.05481	0.6
82.92883	0.3
83.04978	0.5
84.04513	0.4
85.02908	2.0
87.04431	0.4
89.03897	1.0
91.05475	1.0
93.39806	0.3
95.04946	0.6
96.42962	0.3
97.02901	0.6
107.04925	0.8
111.04480	0.4
116.98599	0.5
117.03323	0.7
118.06538	4.6
123.04433	1.8
125.72046	0.4
127.03905	1.1
128.98616	0.5
133.07574	4.5
134.99579	0.4
135.04398	1.1
135.43184	0.3
137.05981	0.3
139.03909	1.2
143.00143	0.4
145.07588	100.0
146.08394	2.5
147.04356	0.7
147.09146	0.5
152.05753	0.5
152.07086	0.3
161.01236	0.5
163.03888	4.3
163.05034	2.8
163.08647	60.7
164.08997	1.0
169.01668	0.5
171.36295	0.3
172.95209	0.3
177.00685	0.6
188.34734	0.3
189.00656	0.3
193.00214	0.4
193.08321	1.1
206.08723	0.4
209.02969	0.3
213.00644	0.4
229.57831	0.5
231.01698	0.4
234.78821	0.3
325.13898	68.0
326.14194	2.0
343.92731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1429
Annotation	Otobain
Peak:m/z	Relative Intensity
53.03928	1.0
62.26175	0.6
63.33291	0.6
65.03912	1.2
66.19031	0.6
67.88912	0.6
69.07066	0.7
69.27143	4.5
69.27570	1.9
72.25391	0.6
74.59151	0.6
78.62220	0.6
79.05485	2.4
81.07040	1.0
84.41924	0.6
91.05470	29.4
94.04202	0.8
95.04950	2.9
98.21437	1.3
105.07007	2.0
107.04950	0.7
119.04929	26.7
122.03637	2.0
128.06201	2.5
131.04932	0.9
131.08516	0.8
135.04399	59.6
136.05077	0.9
137.05957	32.9
143.08514	9.5
145.10081	0.9
149.05962	100.0
150.06276	1.1
151.07521	36.6
160.73947	0.8
163.07515	7.9
165.09116	3.0
171.08023	9.0
172.08737	1.8
173.05984	1.8
175.07524	1.1
178.06711	0.6
186.06721	1.6
188.08275	9.1
188.09773	0.8
189.09004	0.6
193.04944	1.4
201.09065	11.7
203.10641	30.7
251.07022	1.1
267.06503	2.3
281.07895	0.8
282.08914	1.8
296.10635	0.7
325.14297	26.8
325.25986	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.32851	0.7
55.05513	4.4
57.03388	0.7
57.07048	1.5
59.04970	1.1
67.05469	3.0
69.06730	0.7
69.07059	10.7
69.43333	6.0
79.05463	1.5
81.07018	3.1
83.08585	2.1
86.70717	0.6
89.87383	0.7
91.05444	1.1
93.06995	2.4
95.08587	10.6
105.06980	0.8
107.08609	3.4
109.10114	2.2
117.06975	1.2
119.08591	0.9
121.10103	1.7
123.11646	1.4
125.54082	0.6
128.06218	1.1
129.06985	3.5
131.08566	0.9
133.10095	0.7
138.85022	0.7
141.06956	3.0
142.07738	4.0
143.08563	3.5
153.06937	2.3
154.07767	1.5
155.08543	5.8
156.09232	2.0
157.10101	18.3
165.07001	4.9
166.07701	1.9
167.08534	9.2
168.09409	1.5
169.10117	4.5
171.11633	3.4
178.07758	1.6
179.08540	9.7
180.09332	4.7
181.10107	16.5
182.10840	1.6
183.11673	6.5
185.13222	1.6
191.08330	0.8
193.10135	3.6
194.10907	9.4
195.08038	2.7
195.11668	27.0
196.12329	3.1
197.09557	1.6
197.13200	3.8
199.11133	2.9
203.08580	0.8
207.11684	3.8
208.12431	3.1
209.13231	52.1
210.13823	4.9
211.11110	1.3
211.14655	1.7
213.09055	5.8
213.12578	1.2
215.10757	1.1
217.12215	17.1
218.10716	1.4
219.11649	2.8
221.13211	2.3
223.11220	1.7
223.14787	14.2
224.15186	0.9
225.12674	1.0
227.10608	2.3
227.14273	0.7
229.12131	1.3
231.13800	4.5
233.13257	4.7
235.14815	1.3
237.12726	4.0
237.16325	1.2
239.14302	1.4
241.12212	1.0
243.13821	6.0
247.14774	1.3
248.15669	0.9
249.16232	1.0
250.17110	1.6
251.14281	18.4
252.14719	1.0
255.11325	1.4
255.13783	16.4
256.14142	0.9
257.15286	1.5
263.17920	0.9
265.15961	1.9
265.19489	25.2
266.19772	1.8
269.15329	100.0
270.15698	7.3
279.21066	3.4
283.16977	1.7
289.19473	6.7
307.20544	14.1
308.20819	1.0
325.21579	62.9
326.22052	5.9
347.49649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03947	1.1
55.01887	1.0
55.05502	6.1
57.03424	1.0
57.07055	1.7
59.28588	0.7
67.05492	9.7
69.03408	0.9
69.07058	4.8
71.54405	1.7
73.02930	0.9
77.80674	1.1
79.05476	8.1
81.07041	16.6
83.04961	3.5
83.08589	2.4
91.05458	10.6
93.07030	18.4
95.04971	3.2
95.08594	19.4
97.02887	1.2
97.06502	1.4
105.07021	16.5
105.18054	1.0
107.08577	11.2
107.93101	0.8
109.06507	0.9
109.10149	4.1
109.43996	0.9
111.04430	2.4
111.08052	1.5
112.33402	0.9
113.48724	0.8
115.05453	0.9
117.07042	4.4
119.08561	12.8
121.06518	1.6
121.10143	5.7
123.08084	2.1
123.11664	2.0
128.06165	5.1
129.06998	10.9
130.07776	1.4
131.08551	20.9
132.61697	0.8
133.10104	10.5
135.08006	1.1
135.11703	1.6
137.05943	1.3
139.07477	1.1
141.06987	3.2
142.07756	5.2
143.08537	27.2
144.09332	1.9
145.06517	1.2
145.10112	14.2
147.08083	2.5
147.11649	9.4
149.02348	2.0
151.07544	1.2
153.07022	2.1
154.07730	1.3
155.08540	13.2
156.09325	4.7
157.06482	1.4
157.10115	20.9
158.10574	1.5
159.08061	1.7
159.11674	11.1
161.09645	2.4
161.13245	2.9
165.06982	2.1
166.07800	1.5
167.07176	1.4
167.08507	6.4
167.09792	1.0
168.09317	2.4
169.10130	12.8
170.10854	3.8
171.11673	18.5
173.13255	13.2
179.08556	2.2
180.09319	2.4
181.10104	13.4
182.10881	3.1
183.08060	2.1
183.11670	14.1
184.12390	2.6
185.09618	2.6
185.13234	36.4
185.56412	1.0
186.13828	4.0
187.11186	1.4
187.14835	4.4
189.09137	2.1
191.10704	1.3
193.04971	3.4
193.10187	2.1
194.10918	1.2
195.08046	2.1
195.11661	17.4
196.12335	3.1
197.13274	11.9
198.13925	2.1
199.11160	1.3
199.14780	4.8
199.22969	0.9
201.09128	2.7
201.12810	1.3
203.10666	2.6
207.11636	2.6
208.12373	1.2
209.09706	1.9
209.13214	10.8
210.13713	1.5
211.11063	1.4
211.14809	11.4
212.15414	1.4
213.12796	2.9
213.16299	4.3
215.10858	1.3
217.12234	3.6
221.13193	4.2
223.11150	2.4
223.14798	29.3
224.15350	2.2
225.12814	1.4
225.16368	7.3
226.17065	7.4
227.10628	1.6
227.14345	1.2
227.17906	3.5
228.23259	1.1
229.12190	3.9
231.13762	6.5
235.14726	1.0
237.12775	2.1
237.16446	5.6
241.12386	2.2
243.13776	7.0
245.15259	1.4
247.14851	3.5
249.16064	0.9
251.14372	2.9
251.17931	3.2
252.18646	1.1
255.13739	2.6
265.16083	7.0
265.19449	13.1
269.15375	7.4
279.21027	12.3
280.21442	1.0
282.16122	1.3
283.16919	5.9
289.19373	2.4
297.21909	1.1
307.20505	11.4
325.21564	100.0
325.76349	1.5
326.21951	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	326.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31842	0.5
56.00988	0.5
59.04994	23.9
59.41790	0.5
61.02909	0.9
69.03413	1.4
70.06574	0.7
70.71133	0.8
70.71475	1.2
74.98738	0.5
81.03399	1.0
85.02891	4.5
87.04447	1.9
95.04953	0.5
97.02875	1.7
98.98456	100.0
101.06004	7.8
105.06888	0.5
115.03926	6.3
116.99483	4.1
123.04420	0.8
129.05463	59.3
130.05791	1.4
135.04456	0.7
137.05933	0.6
140.01074	0.6
143.38353	0.5
145.04987	1.2
147.04585	0.8
147.06506	20.3
148.06807	0.6
148.12715	0.5
163.03925	0.7
164.04274	0.6
164.07036	1.6
174.03343	0.5
174.97704	0.8
174.99203	14.2
175.00656	0.9
180.08604	0.9
200.29346	0.5
250.99902	1.1
257.58725	0.5
309.11197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59509	2.2
70.59892	3.6
91.54434	1.0
98.98457	58.2
116.99443	2.2
118.99244	1.3
123.51009	1.2
153.00301	7.3
155.01875	20.4
156.99823	3.2
171.01384	100.0
172.99391	2.0
174.99248	7.5
178.03442	2.0
194.02995	7.4
199.77348	1.2
219.08727	1.4
221.10255	6.6
237.09688	16.6
259.60699	1.2
260.11301	2.0
285.17014	1.9
303.18018	30.5
304.18268	1.0
326.19684	1.4
327.18015	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	327.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23627	3.8
53.52357	3.6
56.96532	5.3
61.75528	4.1
69.22793	43.0
69.23438	4.3
70.06563	7.5
72.10973	3.7
76.58984	4.1
92.31097	4.2
97.93082	4.2
98.98457	100.0
108.22639	4.0
111.05542	3.7
116.99463	4.3
119.01862	5.0
120.02454	4.0
127.03918	7.8
131.01868	4.5
133.03508	5.4
145.16972	3.9
147.57054	4.7
153.05376	5.4
156.97458	11.3
173.73230	4.6
174.99211	6.6
189.00124	5.0
198.98540	4.9
224.96468	4.8
327.04672	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.32218	0.5
51.63909	0.5
55.01840	0.8
55.05505	0.7
57.48964	0.5
58.35497	0.5
67.05498	0.7
67.26244	0.6
69.03386	0.6
69.44287	4.9
73.02959	0.5
74.65069	0.5
79.05476	2.1
81.07040	0.6
82.39242	0.5
91.05466	2.4
94.04160	1.6
95.04961	0.7
98.98452	100.0
103.05454	12.4
105.07018	6.6
107.04946	1.8
107.08551	0.5
108.08125	0.7
109.06478	1.9
115.05409	1.1
116.99477	2.6
117.07009	0.8
119.04951	0.8
121.06497	3.3
122.03627	3.7
123.08073	0.8
129.07016	0.9
131.04903	15.8
133.06474	21.1
135.08028	8.1
137.05957	63.2
138.06328	1.1
140.01038	0.6
143.04999	0.6
145.06490	4.4
147.07991	1.0
149.05968	1.9
151.03951	0.7
151.07510	6.9
155.99094	0.6
157.06505	2.0
159.08069	0.8
162.06726	0.7
163.07518	34.6
164.07932	1.1
165.09073	0.6
171.07936	0.8
174.99200	10.8
175.07552	2.3
177.09142	1.3
187.03885	0.6
187.07486	1.2
189.09117	1.1
203.06940	1.0
203.10660	1.3
207.08095	0.6
225.09100	0.6
231.08252	0.5
235.07440	1.2
235.11191	1.5
236.20326	0.7
245.09409	0.9
248.08179	0.7
249.09198	0.6
250.99965	1.2
263.10684	2.0
277.08588	0.7
281.11743	0.6
283.17407	2.7
295.06155	0.6
295.09903	1.1
295.13245	5.3
327.08597	1.0
327.12213	4.5
327.15942	4.5
327.19962	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	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01857	1.6
55.05505	6.5
57.02082	0.9
57.07064	2.4
59.04991	0.9
61.01946	0.9
63.41312	0.9
65.03942	0.9
67.05490	12.2
69.07069	5.6
70.68666	3.0
71.04958	1.2
79.05486	10.3
80.32167	0.9
81.03412	1.6
81.07036	11.2
83.04943	1.2
83.08603	2.3
85.06525	1.1
91.05464	18.5
93.07028	29.1
95.04354	2.0
95.04953	28.6
95.08591	20.5
97.06501	6.7
98.98451	100.0
103.05450	7.3
105.04491	2.0
105.07015	24.3
105.07674	1.7
106.38905	0.9
107.04951	1.9
107.08572	12.8
109.06487	5.3
109.10146	7.9
115.05453	2.0
116.99482	3.4
117.06998	7.9
119.04935	1.3
119.08560	24.7
121.06503	9.2
121.10126	12.4
123.08066	4.0
123.11703	3.4
128.06221	6.6
129.06987	2.9
130.07762	2.0
131.04922	1.7
131.08557	12.6
133.06415	1.7
133.10104	17.2
135.08037	4.6
135.11678	4.7
137.05959	10.0
137.09610	1.8
141.06982	1.3
142.07710	4.7
143.08556	12.4
144.09322	2.7
145.06448	2.8
145.10109	14.9
147.08110	1.1
147.11668	5.8
148.05150	1.1
149.09583	2.1
151.07527	5.4
152.06148	1.4
153.06938	1.1
155.08536	2.4
156.09331	2.5
157.08881	1.8
157.10085	12.2
158.10805	1.1
159.07999	2.5
159.11665	14.8
161.09595	6.8
161.13235	2.0
163.07547	4.0
167.08517	1.3
169.10098	4.9
171.07962	5.2
171.11716	7.5
173.13228	6.6
174.99207	10.6
175.07452	1.7
175.11124	1.2
175.14763	8.0
179.08493	2.1
181.10092	2.7
182.10953	2.0
183.11671	4.2
184.12355	0.9
185.13226	2.7
187.07462	1.1
187.11201	2.4
187.14752	6.2
188.08264	6.0
193.10114	1.7
194.10910	1.3
195.11652	2.6
197.13220	4.2
199.14867	4.4
201.16368	2.0
203.08920	1.1
203.10603	6.4
203.14246	1.3
204.10934	1.1
206.10771	1.2
207.11710	2.2
209.13235	3.7
211.14781	2.8
213.16423	1.5
217.16066	1.8
221.13266	1.3
225.16360	1.5
229.15904	1.0
235.14801	1.8
251.00133	1.5
253.15761	1.1
265.19449	1.1
273.35974	1.0
291.21002	1.2
309.07513	1.1
309.22125	2.8
327.07828	4.5
327.15906	4.5
327.19754	1.1
327.23007	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	329.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97934	0.6
57.03414	0.7
67.05462	0.5
71.52488	1.0
79.05486	23.1
80.25086	0.5
85.02896	3.2
91.05466	0.8
95.04923	0.7
97.02882	0.7
98.98453	91.6
103.05448	3.7
105.07027	1.3
107.04942	100.0
108.04633	0.6
108.05287	2.5
110.34253	0.6
116.99461	3.3
127.03968	0.8
131.04915	17.5
136.07597	1.7
137.06010	2.2
140.01131	0.9
148.86424	0.6
149.05965	30.4
150.06262	1.2
170.68074	0.6
174.99196	7.5
176.98888	3.2
177.05417	0.8
184.04530	0.5
206.14055	0.6
210.02588	1.2
236.23363	0.6
251.00101	0.6
252.99747	0.8
278.10895	0.6
299.05692	1.5
329.06714	1.0
329.10349	2.2
329.15509	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	331.1018
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.28464	0.5
55.01867	0.6
65.03930	0.8
67.01860	0.7
67.05486	1.8
67.95390	0.5
68.99797	0.7
69.03412	1.1
70.06606	0.7
71.56420	0.5
79.05476	0.7
81.03399	0.6
81.07028	1.4
83.04935	0.5
84.35078	0.5
84.73859	0.5
85.02895	2.1
91.05474	2.9
93.07029	0.6
93.70685	0.5
95.04961	1.5
98.98459	56.4
100.98898	1.3
103.05453	0.7
107.04942	1.0
109.02807	0.6
109.06462	0.9
116.99498	2.8
117.06924	0.7
119.04926	1.9
121.06461	0.9
122.03644	0.8
123.04417	7.9
124.10584	0.5
127.03891	4.0
128.06218	1.2
129.06973	1.1
135.08038	1.0
136.05151	0.7
137.05959	9.7
141.05711	0.6
145.06467	1.0
147.04384	0.9
149.02336	0.7
149.05972	1.4
151.03883	14.4
151.07545	9.8
151.11266	0.5
152.54453	0.5
153.01826	1.6
157.06508	1.3
161.05983	2.7
161.09569	0.9
162.05515	0.8
163.07530	1.3
165.06984	1.6
165.09021	0.7
166.41661	0.6
167.08580	1.6
169.04948	100.0
169.12184	1.5
170.05348	1.2
174.06711	0.7
174.99161	1.9
175.03838	0.7
175.07573	0.7
176.98912	5.0
178.07793	0.7
181.06470	1.1
182.07265	0.8
189.09070	4.0
191.03380	0.6
191.06969	0.6
193.06516	0.9
193.10123	0.9
194.94717	0.6
195.08066	2.6
197.05923	0.7
197.09268	0.5
207.10019	0.6
210.06688	1.0
221.05943	1.5
221.09666	0.9
223.07465	0.8
225.09096	1.0
227.10652	2.4
231.02827	0.7
238.06163	0.6
247.05997	0.7
249.09167	0.8
253.08534	2.5
253.12198	1.4
255.10191	2.3
257.04514	0.6
267.07574	0.9
271.10406	0.6
285.03928	0.6
285.11292	2.0
287.12772	4.6
301.03381	2.2
303.13358	0.7
313.14389	1.3
316.05835	1.6
331.04337	1.4
331.08066	8.9
331.12070	1.4
331.16183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
60.89767	1.2
63.13442	1.3
65.03934	3.4
70.55575	6.0
79.05479	3.7
81.03367	1.4
90.12753	1.5
91.05470	31.8
94.04169	4.2
95.04949	5.7
95.08591	2.8
98.98450	49.9
100.98891	1.8
103.05457	4.0
105.07031	6.5
107.04932	7.4
109.06509	6.5
111.04420	1.5
115.05418	2.4
117.06995	2.8
119.04916	16.4
119.49055	1.5
121.06493	7.2
122.03637	8.3
123.08058	1.3
128.06212	4.8
129.06981	18.8
131.04907	6.5
131.08540	2.4
133.06488	3.1
135.08040	6.6
136.05170	2.9
137.05957	91.4
137.78758	1.3
143.04829	2.0
145.06468	3.9
147.04367	2.3
149.05959	15.4
151.03874	4.0
151.07518	100.0
152.06178	3.6
152.07858	2.3
153.06927	1.3
157.06487	13.5
161.05978	16.6
161.09605	4.4
163.03915	1.6
163.05296	1.6
163.07506	23.3
165.05652	2.4
165.06956	13.4
165.09113	5.5
166.07791	3.4
167.08522	17.5
169.06445	2.5
169.27710	1.5
174.06709	7.5
175.07524	6.2
176.98938	3.3
177.06880	2.1
177.08975	2.8
178.07751	7.2
179.08582	2.3
181.04997	1.5
181.06499	4.2
182.07246	3.8
183.07999	1.7
189.09077	39.3
192.09390	2.2
193.06470	9.1
193.10117	8.6
194.07253	4.0
195.08034	25.9
196.08722	2.0
197.00821	1.5
197.05946	5.1
199.07451	1.8
202.07904	1.8
203.08560	2.7
205.06578	1.8
207.10136	4.7
209.06017	4.2
209.09557	3.9
210.06718	11.4
211.07466	2.9
212.08235	6.6
219.08133	2.2
221.05998	10.0
221.09499	13.3
222.10266	1.5
223.07507	11.8
224.08324	5.0
225.05450	2.9
225.09036	13.6
227.07062	2.1
227.10616	29.1
237.09126	3.5
238.06192	8.2
238.09897	2.0
239.07027	2.1
240.07745	2.8
241.08452	4.0
249.09106	7.1
252.07843	2.1
253.08566	14.2
253.12201	18.5
254.09099	2.0
255.06511	2.4
255.10114	35.2
263.10748	1.9
267.09982	6.7
269.08032	4.7
269.11703	2.3
270.08713	2.2
272.10416	4.3
281.11667	9.0
285.11166	23.6
287.12747	45.8
288.13199	1.8
301.03479	1.8
301.14319	2.4
313.14334	14.0
316.05655	2.0
331.04373	7.7
331.08099	7.3
331.11890	3.6
331.15515	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	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.67384	1.1
55.01850	2.0
55.05489	1.2
65.03925	1.9
69.03392	1.2
70.45572	4.0
79.05469	3.0
81.07032	3.5
91.05468	28.6
94.04144	3.4
95.04978	6.5
98.98451	43.3
103.05450	5.6
105.06993	4.8
107.04929	7.5
109.06510	5.1
111.04411	1.6
115.05440	2.5
116.99490	1.3
117.06985	2.1
119.04919	18.0
121.06479	5.4
122.03620	6.3
123.04451	1.1
123.08060	1.3
125.05839	1.3
128.06242	4.9
129.06990	18.0
131.04886	8.6
133.06480	2.6
135.08054	6.6
136.05171	3.4
137.05959	83.8
139.07555	1.1
143.04909	2.0
145.06448	4.7
146.03603	1.6
147.04350	2.3
148.05188	1.3
149.05968	12.7
150.06682	1.3
151.03867	3.3
151.07524	100.0
152.06163	3.5
152.07854	1.3
153.01804	1.0
153.06963	1.3
155.08652	1.2
157.06483	13.4
161.05971	15.8
161.09579	3.2
163.07523	20.6
165.06953	12.6
165.09065	5.2
166.07729	3.5
167.07117	1.6
167.08530	17.9
169.06432	2.5
170.84753	1.0
174.06752	6.7
175.07542	5.2
175.56844	1.1
176.98845	2.8
177.06967	2.0
177.09068	3.1
178.07744	7.3
179.08511	2.4
181.06429	4.8
182.07237	4.4
183.08127	1.2
184.08801	1.0
189.09093	34.1
191.08531	2.4
191.10406	1.0
192.09296	1.8
193.06502	7.5
193.10141	8.7
194.07233	2.8
195.08025	25.7
196.08749	3.0
197.05899	6.6
197.09517	1.5
201.05241	1.1
202.07741	2.4
203.08524	3.6
205.06386	1.7
206.07230	3.0
207.08226	1.8
207.10158	5.2
209.05980	2.8
209.09576	3.4
210.06747	11.5
210.10228	1.1
211.07484	4.5
212.08345	6.4
213.09032	1.3
220.08795	2.3
221.05981	9.5
221.09543	11.6
223.07503	13.2
224.08279	5.4
225.05472	1.9
225.09050	11.1
227.07101	2.2
227.10631	28.4
231.08002	1.3
231.13853	1.1
235.07439	1.6
236.08217	1.1
237.09113	3.7
238.06235	6.1
238.09781	2.3
239.06879	2.8
239.10686	1.9
240.07806	3.2
241.08510	3.1
241.12213	1.9
249.09131	5.9
251.07144	1.4
252.07887	2.3
253.08563	15.4
253.12187	17.1
254.09180	1.8
255.06297	1.8
255.10124	32.3
256.10562	1.8
259.13245	1.8
266.09119	1.5
267.10263	5.3
269.07999	5.4
269.11566	2.3
270.08789	3.0
272.10355	4.3
281.11661	6.9
284.10455	1.9
285.11163	22.1
287.12750	44.2
299.12445	2.4
301.14352	1.8
313.14252	13.9
331.08066	3.7
331.11664	1.6
331.15277	6.3
349.22458	1.1
354.77173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08867	1.1
59.07958	1.0
59.57344	1.3
65.03923	1.4
69.51047	10.6
70.84571	1.1
79.05478	3.0
81.07060	2.3
88.95921	1.3
91.05473	30.4
94.04192	4.6
95.04943	8.5
98.20773	2.9
98.78438	1.1
98.98456	40.8
100.98889	1.9
103.05428	5.9
103.40495	1.5
105.07020	7.0
107.04920	6.7
109.06500	4.2
111.04464	1.4
115.05437	1.9
116.99429	1.5
117.07018	1.6
119.04927	17.9
121.06499	7.6
122.03617	9.0
123.08112	2.3
128.06194	6.2
129.06976	12.5
131.04903	4.8
131.08539	1.2
133.06506	3.3
135.08067	5.9
136.05179	4.1
137.05963	85.1
140.75946	1.1
143.04889	2.1
145.06461	5.0
146.03604	1.5
147.04375	2.8
148.05179	2.3
149.05960	15.1
151.03905	3.4
151.07529	100.0
152.06197	4.5
153.06956	1.2
157.06479	12.7
158.07256	1.4
161.05951	15.5
161.09616	4.3
163.07501	22.3
165.06976	12.6
165.09120	4.1
166.07741	3.8
167.07211	2.1
167.08546	16.7
169.04994	1.8
169.06464	2.9
174.06743	5.8
174.99283	1.5
175.07536	4.9
177.06982	3.4
177.09085	3.5
178.07727	7.7
179.08528	2.7
181.06499	4.9
181.10056	1.4
182.07274	3.5
183.07951	1.6
189.09093	37.9
193.06430	7.0
193.10094	9.6
194.07304	4.3
195.08035	29.1
196.08733	2.1
197.05898	6.1
197.09535	1.6
202.07805	2.7
203.08562	3.4
205.06551	2.7
206.07271	2.6
207.08299	1.7
207.10112	7.5
209.05914	2.1
209.09639	4.5
210.06728	11.0
211.07480	4.9
212.08313	6.1
213.09013	2.0
219.08040	1.3
220.08887	1.7
221.05998	12.3
221.09543	14.2
223.07561	11.1
224.08371	6.3
225.05457	2.6
225.09047	9.3
227.07005	3.0
227.10637	28.1
229.08553	1.5
231.08215	1.4
235.07629	2.0
235.11148	1.4
237.09093	4.3
238.06175	6.4
239.06981	2.4
240.07805	4.7
241.08464	2.0
241.12141	2.1
247.10019	1.6
249.09062	5.1
250.09583	1.3
252.07851	3.3
253.08583	15.6
253.12268	17.9
255.10133	34.6
266.09201	1.3
267.10120	6.2
269.08121	5.1
269.11090	1.3
270.08728	1.4
272.10434	4.9
281.11740	7.9
285.11209	20.7
287.12747	43.9
301.14383	1.4
313.14349	11.7
331.08035	2.6
331.11990	1.4
331.15289	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	331.1534
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
65.03946	3.3
70.89980	4.7
79.05477	3.6
81.07060	2.5
91.05463	28.5
94.04151	2.7
95.04954	7.7
101.94190	2.2
103.05511	3.9
105.07040	4.7
107.04967	7.5
109.06519	4.6
115.05457	4.2
119.04933	17.7
121.06487	4.6
122.03622	6.0
125.05991	2.7
128.06190	4.5
129.07004	17.0
131.04956	4.8
135.08018	5.8
136.05165	4.1
137.05968	87.3
145.06458	2.8
148.05174	2.7
149.05984	13.3
151.03850	2.7
151.07524	100.0
152.06178	5.2
157.06494	17.4
161.05995	19.2
161.09621	4.4
162.06764	2.3
163.07555	23.7
165.07024	14.9
165.09073	4.8
166.07733	3.3
167.08553	19.5
174.06769	9.0
175.07457	3.0
177.06903	2.5
177.09131	3.0
178.07774	10.4
179.08533	3.6
181.06528	6.0
182.07294	5.9
189.09077	42.2
192.09230	3.1
193.06503	8.6
193.10054	9.3
194.07291	4.5
195.08047	28.5
197.05994	5.6
197.09561	2.9
203.08582	2.4
205.06535	4.1
206.07263	3.0
207.08180	3.2
207.10121	3.8
209.05862	3.3
209.09698	4.1
210.06749	11.1
211.07626	4.9
212.08348	6.6
221.06039	10.5
221.09512	11.9
223.07515	12.6
224.08261	4.0
225.05469	2.6
225.09073	12.8
227.07133	2.8
227.10666	33.7
229.08661	1.9
237.05524	2.3
237.09143	4.2
238.06270	6.9
238.09941	2.6
239.07057	3.2
240.07796	5.3
241.12161	2.7
249.09085	6.8
252.07843	2.1
253.08571	18.8
253.12231	19.7
254.09282	2.7
255.10168	33.1
267.10165	7.4
269.08057	5.5
270.08923	2.3
272.10434	5.4
281.11789	7.3
285.11179	23.9
287.12729	43.8
313.14334	14.2
331.15320	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.3
70.71531	3.9
70.71868	5.1
73.02913	5.6
79.05476	4.4
91.05478	40.2
94.04158	4.2
95.04955	8.5
98.98461	41.0
103.05470	12.5
105.06998	8.1
107.04951	18.7
109.06501	8.5
115.05480	4.9
117.07017	2.6
119.04942	21.2
121.06441	13.4
122.03655	9.3
128.06284	4.4
129.06992	16.8
131.04909	8.8
131.08591	2.9
135.08044	12.3
137.05963	87.4
145.06456	3.2
146.07249	3.0
149.05998	21.0
151.03941	3.0
151.07527	100.0
152.06252	5.4
155.06723	2.4
157.06534	15.5
161.05988	46.6
161.09595	13.2
161.77016	3.0
163.07535	32.8
165.07011	16.1
166.07686	3.4
167.08530	16.9
169.12268	5.4
174.06757	7.7
175.07518	8.2
176.98853	3.4
177.09114	3.5
178.07819	5.4
181.06458	3.7
181.08551	5.6
189.09094	49.1
191.08519	3.2
193.06441	8.1
193.10144	4.5
194.07227	3.8
195.08029	25.9
197.05962	5.5
197.09624	4.6
203.08595	4.2
205.06453	2.8
207.08289	4.5
207.10164	16.1
209.05995	5.1
209.09639	3.1
210.06790	6.7
211.07651	5.2
221.05930	13.9
221.09593	12.8
223.07460	18.3
224.08337	8.9
225.08942	12.6
227.10629	27.3
238.06094	3.4
240.07877	5.2
241.08499	3.5
249.09062	9.3
252.07845	4.0
253.08499	19.8
253.12325	16.4
255.10121	35.9
267.10098	11.4
269.08115	6.1
270.08606	3.7
272.10361	3.7
281.11713	8.3
285.11209	25.9
287.12738	48.7
289.39120	2.7
303.05026	3.9
313.14343	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	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.04868	1.5
55.01868	1.6
65.03944	2.5
70.72621	5.5
78.51840	1.5
79.04366	1.5
79.05479	1.8
82.15462	1.6
91.05476	28.8
94.04156	4.8
95.04942	7.4
98.94058	1.7
98.98479	9.7
103.05460	6.5
105.07013	2.8
107.04922	6.8
107.77900	1.9
109.06522	3.3
113.03255	1.7
115.05441	3.2
117.06968	1.9
119.04947	22.4
121.06483	6.6
122.03638	5.8
128.06203	5.3
129.06998	16.8
131.04897	4.3
133.06502	4.0
135.08041	5.4
136.05193	4.6
137.05959	83.0
143.04921	2.4
145.06459	4.8
146.03590	2.5
149.05959	14.1
151.07523	100.0
152.06226	5.5
153.06995	2.2
157.06493	12.2
161.05984	15.3
161.09558	5.8
163.07513	21.2
165.06987	11.8
165.09079	4.7
166.07748	3.3
166.90804	1.6
167.08553	17.6
174.06744	9.0
175.07516	4.4
177.09067	4.0
178.07780	5.3
179.08600	2.8
181.06467	5.2
182.07219	4.2
189.09096	41.0
193.06462	8.1
193.10103	10.7
194.07246	3.1
195.08022	27.8
196.08835	1.7
197.05980	5.0
197.09581	2.1
202.07742	2.7
203.08521	3.6
207.08171	2.4
207.10103	5.2
209.05984	3.6
209.09622	5.4
210.06676	9.5
211.07454	3.3
212.08372	5.1
219.08066	3.6
220.08682	2.5
221.06007	7.7
221.09563	13.9
223.07518	13.0
224.08266	5.0
225.05475	3.0
225.09030	10.6
227.07063	3.2
227.10622	35.9
231.07936	1.7
237.08917	2.6
238.06152	5.0
239.07104	2.6
240.07800	4.2
241.08450	3.3
249.09065	6.4
253.08543	16.8
253.12219	15.4
255.10127	32.8
267.10098	7.5
269.08020	4.8
269.11865	1.8
272.10480	3.1
281.11655	7.6
284.10605	2.1
285.11179	18.9
287.12747	45.4
299.12799	2.5
301.14551	2.5
304.08337	1.9
313.14478	10.6
331.07974	3.8
331.15186	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82952	1.4
66.95631	1.3
67.05473	1.8
69.66940	6.7
69.67348	2.3
79.05477	2.6
81.07024	1.9
83.04971	1.4
91.05469	32.8
94.04170	3.2
95.04964	6.1
98.98450	26.0
103.05483	6.7
105.07011	4.8
107.04948	7.3
109.06483	4.9
115.05399	2.6
117.07007	1.9
119.04923	19.1
121.06502	6.7
122.03636	10.1
123.08006	2.3
128.06194	4.6
129.06985	17.6
131.04889	6.1
131.08521	2.8
133.06488	2.6
135.08044	6.0
136.05183	3.3
137.05952	94.5
143.04930	2.6
145.06468	3.5
146.03592	2.1
146.07233	2.2
148.05249	1.6
149.05954	16.4
151.03938	4.0
151.07521	100.0
152.06203	4.7
152.07828	1.4
153.07013	1.6
157.06473	12.8
161.05948	15.7
161.09641	4.0
163.07503	20.6
165.06990	15.2
165.09138	5.2
166.07727	4.5
167.08533	17.4
174.06721	6.7
175.07544	4.9
177.06964	3.2
177.09113	3.3
178.07738	7.9
179.08482	2.6
181.06482	4.4
181.08473	1.2
181.10049	1.7
182.07227	5.8
185.05801	1.4
189.09079	35.9
192.09297	2.4
193.06444	7.0
193.10141	9.2
194.07307	2.6
195.08017	25.3
196.08673	2.6
197.05910	5.8
197.09608	1.9
202.07703	2.6
203.08444	3.8
206.07207	4.0
207.08191	3.0
207.10150	5.8
209.06018	3.8
209.09605	4.7
210.06750	13.3
211.07535	4.2
212.08257	4.8
220.08766	1.8
221.06004	10.4
221.09563	12.3
222.06784	1.3
223.07507	12.0
224.08243	4.4
225.05463	1.5
225.09027	11.2
227.07181	2.4
227.10646	32.1
234.06743	1.8
237.05379	2.4
237.08916	2.7
238.06178	6.3
238.09743	1.3
239.06982	3.2
240.07771	3.7
241.08479	3.4
249.09232	7.3
249.11429	1.4
252.07729	3.5
253.08545	15.5
253.12192	14.7
254.09001	1.9
255.06367	2.4
255.07230	2.3
255.10144	32.8
256.10617	1.6
266.09155	1.5
267.10056	6.8
269.08054	4.1
269.11563	2.7
271.09790	2.7
272.10379	4.6
281.11670	8.0
284.10309	2.2
285.11206	22.3
287.12738	44.7
298.12045	1.7
299.12671	1.9
301.14267	2.2
313.14337	14.5
331.08060	3.3
331.11581	2.0
331.15088	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	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03959	1.1
57.03433	1.6
61.02916	1.6
65.03929	1.1
67.05493	2.6
69.03429	6.1
71.22044	1.5
73.02902	2.1
79.05469	1.0
79.13454	0.6
81.03408	2.0
85.02894	7.1
85.33427	0.7
87.04459	2.0
91.03976	0.8
96.08127	1.1
97.02897	4.1
99.04429	1.3
106.06529	4.4
108.08105	100.0
109.08421	1.7
123.06811	3.0
124.07578	12.7
127.03925	1.0
134.06010	10.4
136.07568	14.4
150.13846	0.7
152.07048	62.9
154.08641	1.4
170.08095	6.2
192.47610	0.7
222.28255	0.7
314.12302	33.3
314.15948	1.8
315.12537	1.7
332.13351	45.1
333.13635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
53.64465	0.3
55.01867	0.9
57.03422	1.8
61.02919	2.4
65.03918	1.2
67.05511	2.3
69.03420	7.3
69.67908	2.6
69.68295	0.9
71.04982	0.6
73.02905	3.0
79.05491	1.5
81.03410	1.9
81.07055	0.7
85.02897	9.7
87.04461	1.3
91.03954	0.9
92.05037	0.5
93.05753	0.9
96.08137	1.0
97.02882	4.6
98.97571	0.7
101.02382	0.4
104.97725	0.4
106.06544	5.1
108.08103	100.0
109.02840	1.5
109.08447	1.7
119.01925	0.4
122.07124	0.5
123.06788	3.8
124.07574	15.1
127.03885	2.7
131.01883	0.4
134.05998	9.4
136.07559	13.8
143.01918	0.6
145.04918	1.4
152.07043	66.8
153.07460	1.5
154.08618	1.4
160.00966	0.4
161.05557	1.7
169.55496	0.4
170.06001	1.7
170.08080	8.1
170.09326	0.8
170.56242	0.7
198.03159	0.8
219.07182	0.8
231.07050	0.8
251.08675	0.9
254.10231	0.4
260.06848	0.5
314.12283	38.7
315.12643	1.8
321.10306	2.7
322.10599	0.6
326.56653	0.4
332.13376	53.5
333.05692	0.5
333.13708	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.06
Annotation	Laricitrin
Peak:m/z	Relative Intensity
53.03934	0.3
56.05015	0.7
58.74821	0.3
65.03935	0.6
67.01823	0.5
68.99771	2.0
70.91286	0.8
81.03410	0.7
83.04952	0.3
91.48846	0.3
98.98431	0.6
105.06992	0.3
108.02054	0.7
109.02860	1.8
111.00795	2.0
111.05546	0.4
120.04420	0.3
121.02874	0.5
121.06444	0.3
123.04404	0.9
126.03127	0.4
126.06623	0.4
132.04416	1.2
134.05963	0.5
137.02330	1.7
138.03064	0.7
139.03897	4.4
140.04637	0.3
149.02298	0.4
151.03815	0.4
151.06091	0.7
152.00990	0.4
153.01810	13.3
153.05478	0.3
157.61839	0.2
161.05942	0.5
163.03806	0.4
164.07066	1.2
165.01804	3.8
166.02602	0.8
167.03398	3.0
167.07054	0.5
169.98869	0.2
170.48788	0.2
171.04384	0.3
177.05510	0.4
178.02533	0.3
179.03395	0.9
183.02827	1.2
188.04701	0.4
189.05452	1.1
192.04082	0.3
193.04941	1.3
195.02859	0.3
199.03932	0.5
202.09764	0.3
203.03403	0.6
205.04968	1.1
206.05721	1.1
207.03012	0.5
208.03621	1.6
210.01622	0.6
216.04111	1.5
217.04929	5.7
219.02850	7.4
220.03563	0.3
223.45399	0.3
227.03487	0.6
229.04907	0.5
230.09219	0.6
231.06345	0.5
232.10709	0.4
233.04417	4.3
234.05157	0.8
241.04906	0.6
243.02850	1.8
244.03630	3.6
245.04436	7.6
245.09174	2.0
247.02362	0.9
249.03986	0.4
255.02869	0.7
257.10358	0.4
259.06039	1.4
259.11859	4.2
261.03906	2.2
262.04715	0.3
272.03128	0.9
273.03894	5.7
277.06989	1.2
284.11404	0.4
287.05441	1.6
289.03412	4.3
290.04156	3.0
291.14450	6.5
300.02597	1.1
301.03406	9.9
302.12405	4.1
304.05701	0.8
315.04926	0.8
317.02786	0.3
318.03659	16.3
319.04016	0.3
331.98676	0.3
333.05997	100.0
333.16586	6.4
334.06421	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	333.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	8.3
57.03401	0.9
57.05793	1.8
58.35258	0.5
59.06116	0.7
60.05644	3.8
69.03389	0.9
69.04518	1.5
70.06586	3.0
70.72520	1.2
71.04965	2.0
79.11183	0.5
81.07046	0.7
83.06094	3.8
84.04494	0.7
85.02892	3.2
88.48273	0.6
94.78868	0.6
95.06082	2.7
98.07173	0.9
98.98438	1.9
104.04949	0.7
105.03349	1.5
105.05740	1.0
105.07014	1.7
111.05566	8.1
111.06322	0.9
112.08684	1.1
113.07123	3.4
120.04459	5.3
123.04390	2.0
123.05511	1.5
126.06602	5.0
127.07375	1.5
130.06494	1.3
132.04440	16.7
134.05980	5.2
137.04639	3.0
137.05785	1.1
140.08134	1.9
151.06131	10.3
153.01802	9.5
155.68849	0.5
162.05438	2.7
164.07072	8.8
165.05455	0.7
167.06999	0.7
176.07059	1.1
177.06563	0.8
178.08644	0.6
179.08115	2.2
184.43289	0.5
188.07043	0.9
190.08630	1.0
200.50235	0.5
202.09740	7.4
203.08101	1.7
204.06468	0.6
216.11331	1.5
217.09708	6.7
230.09259	7.3
231.12256	0.6
232.10739	4.1
233.09103	0.8
242.09204	2.6
245.09203	30.4
247.10994	0.9
248.13864	1.1
257.10303	7.0
259.11871	52.8
260.10052	0.9
260.12436	1.1
274.11804	1.4
274.42105	0.6
284.11337	4.9
291.14484	100.0
292.14807	3.3
301.14059	2.2
302.12439	55.5
303.04941	1.1
303.12759	1.7
316.13895	4.0
333.16663	86.0
334.16934	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	2.8
69.03411	4.8
69.60439	5.5
69.60867	9.0
72.08208	1.9
76.87964	1.8
81.03419	3.3
81.19809	1.8
82.76906	1.9
85.02895	29.8
91.05442	10.8
97.02844	5.4
98.98470	2.8
109.02873	4.3
119.04904	7.9
127.03887	5.6
137.05954	100.0
145.04970	8.1
155.06967	6.3
165.05283	2.0
180.08575	2.5
196.77325	2.5
215.03514	2.0
317.11493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01855	5.2
55.05507	8.8
56.79609	1.7
57.03417	7.8
57.07056	7.4
67.05170	2.0
67.05499	29.9
69.07064	11.3
70.71567	4.6
71.08628	9.6
72.04507	75.0
79.05481	16.9
81.07050	31.2
83.08607	2.8
85.06526	2.3
91.05479	10.6
93.07035	24.0
95.04960	18.1
95.08598	32.0
97.06517	6.1
99.08101	8.3
105.07009	11.1
107.08584	18.1
109.06502	21.1
109.10132	10.6
114.09138	19.6
117.06963	3.2
119.08547	7.2
121.06458	3.3
121.10144	8.8
123.08015	2.3
123.11716	3.0
128.10689	8.1
131.08585	5.5
133.10126	10.0
135.08063	3.5
135.11676	5.1
137.09676	1.9
140.10648	1.9
142.12238	4.5
142.96437	1.6
145.10095	4.0
147.11661	3.5
149.13235	4.9
151.14828	2.6
156.13817	2.1
159.11653	4.8
161.13315	1.9
163.11215	3.7
163.14824	4.0
165.12740	100.0
168.13745	1.9
173.13271	8.0
175.11182	5.4
179.14391	2.1
180.13828	3.2
182.15370	12.1
183.11681	2.3
183.31532	1.9
184.16965	2.5
189.51585	1.8
191.14268	7.4
201.12703	4.8
202.09297	1.8
204.00963	1.7
212.16422	9.6
220.16861	8.9
229.19449	4.5
236.20058	36.6
261.22144	2.5
271.20456	5.8
288.96225	2.1
289.21616	10.1
314.76593	1.7
316.26202	5.2
334.27393	45.6
335.25729	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0391
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
55.01852	1.5
57.03417	0.6
63.16539	0.4
65.03925	0.5
68.99786	3.2
69.03401	0.6
69.37166	4.4
73.21872	0.4
79.01868	0.6
79.05468	0.6
81.03387	0.6
82.68351	0.5
94.13174	0.4
95.01293	0.9
95.04941	0.9
97.02864	0.9
107.01295	0.9
109.02832	1.2
111.00785	0.8
113.02332	0.8
121.02830	2.0
121.06531	1.0
123.00776	1.1
125.02309	2.7
131.04916	0.6
135.04333	0.6
137.02310	2.1
139.00296	0.5
139.03876	2.2
141.01793	1.0
142.34743	0.6
143.03369	1.2
147.04329	1.5
151.17126	0.4
153.01807	17.7
159.04375	0.9
163.03880	2.4
165.01801	2.2
166.02637	0.8
169.01303	12.5
177.05467	1.9
179.03386	1.7
181.01286	4.1
185.00783	1.4
187.03883	2.5
191.03389	1.9
191.98022	0.6
195.02888	2.0
205.04854	4.4
207.02916	0.7
215.03337	3.7
217.04982	2.1
219.02789	2.5
221.04379	1.3
229.09818	0.7
232.03595	0.5
233.04410	6.6
235.02248	0.8
243.02898	1.9
243.11317	0.7
245.04474	3.2
257.08951	0.5
261.03925	11.0
271.02374	1.3
273.03842	1.6
276.07584	0.6
278.39362	0.5
279.05054	0.8
287.10236	1.2
289.03375	16.6
289.11835	1.6
291.05008	5.1
299.01834	1.5
299.10330	1.1
306.03714	1.2
307.04477	0.5
317.02890	6.8
317.11316	6.2
335.03922	100.0
336.04242	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05489	2.3
55.82858	0.9
65.03922	3.7
67.05498	6.6
67.78672	0.9
69.03416	1.8
69.07062	100.0
71.57466	1.5
79.05480	3.5
79.82100	0.9
80.04982	1.5
81.07052	8.4
83.04978	1.2
84.08118	1.1
91.05453	1.6
92.04979	4.0
93.07024	3.8
94.06554	5.5
95.04962	3.1
95.08574	2.9
97.06523	17.7
105.07001	2.7
106.06556	1.1
107.08579	2.8
108.04459	1.1
109.06541	1.5
109.10149	3.1
117.06986	1.5
119.08558	2.7
120.04389	1.4
121.05228	0.9
121.06496	1.3
121.10098	2.4
122.06020	9.5
123.11652	1.0
124.07595	2.6
125.05960	1.8
129.93683	1.0
131.08568	2.0
132.08006	1.2
133.10091	2.3
135.08070	1.0
135.11624	1.0
137.05963	1.9
138.05498	5.1
139.11140	1.4
140.07050	10.3
144.08055	3.6
145.08842	4.1
145.10117	2.9
146.09613	3.9
147.11687	1.8
148.03889	1.3
149.09641	1.3
150.05495	74.3
151.05864	1.2
151.11180	1.3
152.03545	1.3
155.08444	1.2
157.08801	2.4
157.10016	1.3
158.09641	1.8
159.10439	1.0
159.11656	1.0
160.07503	1.3
161.08344	3.9
161.13251	1.1
162.09073	3.1
164.03464	1.4
165.09138	1.7
166.04985	34.1
168.06544	1.4
170.09674	1.5
172.07576	2.2
172.11201	4.7
173.08305	2.3
173.09668	1.4
174.09235	1.4
174.12752	6.3
176.03403	8.0
178.04956	2.8
182.09705	1.1
185.08412	1.3
186.05428	1.3
186.07571	2.2
188.07135	1.2
188.10710	1.2
190.08563	1.6
190.12256	4.6
192.02872	1.1
194.04489	3.2
198.07730	2.2
200.07043	1.4
200.10730	6.9
202.12277	8.7
213.10191	2.2
216.10205	3.9
218.11757	31.1
219.12080	1.3
226.08862	1.0
228.10161	15.0
229.13365	1.7
234.11227	3.0
243.11267	1.5
244.09766	2.0
246.11252	25.4
247.11703	1.5
255.11281	1.1
256.09567	1.6
257.09164	1.5
271.10751	3.9
272.09113	3.0
273.12302	2.2
274.10605	2.9
287.10242	7.0
289.11731	11.3
290.10086	1.6
299.10226	5.8
299.20221	1.2
317.11307	25.3
335.12354	19.0
335.22040	1.4
336.12527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	3.2
55.05514	14.4
57.03437	19.8
64.04961	1.9
65.03939	2.6
67.05499	67.0
69.07059	18.0
70.70733	2.2
70.71090	6.3
79.05135	2.3
79.05493	29.7
81.07051	73.1
83.04953	2.4
83.08600	5.3
91.05463	17.8
93.06474	2.8
93.07038	44.3
95.08601	63.0
97.06525	2.1
105.07011	11.2
107.08601	22.5
109.06531	2.4
109.10153	29.4
117.06989	4.6
119.08570	12.1
121.10149	18.7
123.11702	9.1
124.38577	1.9
131.08597	9.9
133.10123	9.4
135.11667	16.3
137.13249	2.9
145.10139	6.9
147.11665	6.6
149.13216	9.2
159.11708	5.1
161.13240	5.1
163.14774	5.7
173.13214	6.5
187.14806	3.4
188.20987	2.3
243.21002	6.4
261.22177	13.9
335.25778	100.0
336.26044	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05494	11.0
57.03421	12.7
67.05497	54.8
68.10935	3.2
69.07049	12.6
69.08162	2.7
69.24650	17.9
69.25077	15.2
79.05485	22.1
81.07048	52.7
83.08617	8.1
91.05476	12.3
93.07042	32.6
95.04946	2.8
95.08606	56.5
100.24895	2.8
105.07040	7.0
105.12674	3.1
107.08595	18.5
109.10170	25.5
117.06987	4.3
119.08568	8.8
121.10159	16.5
123.11708	6.7
131.08574	6.0
133.10109	8.5
135.11662	7.7
137.13293	4.5
145.10085	6.3
147.11667	4.4
159.11661	6.9
161.13237	6.0
173.13310	4.5
177.85475	3.1
223.96683	3.8
261.22141	8.0
335.25784	100.0
335.29840	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.07970	1.3
53.03933	4.6
55.01847	1.2
55.05255	1.7
55.05505	24.5
57.03432	24.8
57.07058	2.7
59.33881	1.1
64.65567	1.2
65.03919	4.9
67.05499	100.0
68.05810	1.6
69.06719	1.7
69.07063	22.3
71.00083	3.6
71.04962	1.9
77.03901	1.2
79.05485	51.4
81.07048	83.8
83.04936	1.9
83.08611	9.1
91.05469	26.6
93.07036	49.9
95.04935	3.8
95.08595	68.3
96.08953	1.2
97.06524	2.9
97.10130	2.6
105.04479	1.6
105.07013	15.8
107.08582	22.0
109.06514	1.9
109.09435	2.1
109.10140	25.1
111.08075	1.4
117.06992	3.1
119.08563	11.2
121.10120	16.2
123.08022	1.4
123.11723	8.1
131.08557	8.4
133.10121	8.4
135.11671	14.0
137.09541	1.4
137.13214	2.9
145.10101	6.6
147.11658	5.5
149.13216	5.0
152.16817	1.1
159.11668	5.2
161.13220	5.4
163.14844	3.1
173.13223	4.1
175.14778	2.2
178.42134	1.2
187.14923	1.7
201.16345	1.6
237.18596	1.3
243.21095	2.1
261.22211	5.7
335.25760	80.2
336.26126	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03921	4.0
55.01865	1.1
55.05256	1.7
55.05502	25.5
57.03429	26.2
57.07051	3.1
58.64603	0.9
65.03917	4.0
67.05493	100.0
69.07056	22.9
69.25190	9.8
71.04969	2.6
79.05480	49.2
81.07043	81.1
83.04956	2.9
83.08613	9.3
85.06535	1.9
91.04950	1.7
91.05467	25.7
93.07028	53.4
95.04968	5.2
95.08590	62.7
96.12938	1.1
97.06500	4.0
97.10150	2.8
98.98479	1.7
99.08091	1.5
105.04506	1.7
105.07012	13.6
107.08579	21.5
109.06511	2.0
109.10136	26.6
109.10896	1.4
111.08054	2.0
117.06978	3.6
119.08569	10.9
121.10121	19.5
123.08041	1.5
123.11697	8.0
131.08539	6.9
133.10138	7.7
135.11649	10.1
137.13153	2.0
142.88290	1.0
145.10106	4.6
147.11673	6.1
147.64415	0.9
149.09639	1.6
149.13240	4.9
159.11687	4.1
161.13306	3.5
163.14796	2.0
171.83978	1.3
173.13240	3.3
175.14891	1.1
187.14700	1.4
261.22107	3.9
289.23148	1.1
335.25763	92.8
336.26053	3.7
338.72482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03921	3.8
55.01859	1.8
55.05504	22.7
55.55284	0.9
57.03429	29.4
57.07053	3.5
58.47896	0.9
65.03919	3.9
67.05495	96.2
69.07061	20.0
69.65559	6.0
71.04979	1.3
79.05482	53.1
81.07046	92.8
82.07375	1.1
83.04969	2.1
83.08612	10.5
85.06519	1.6
91.05469	23.9
93.07032	58.1
94.72091	0.9
95.04958	4.3
95.08594	74.2
96.08916	1.1
97.06513	3.5
97.10146	4.1
99.08069	1.2
105.04471	1.0
105.06355	1.4
105.07018	17.8
107.08582	30.9
109.06508	2.2
109.10141	34.4
111.08063	2.9
117.06992	4.8
119.08559	14.2
121.10124	22.9
121.13803	0.9
121.49640	0.9
123.08064	1.1
123.11694	9.9
129.05479	1.5
131.08543	12.7
133.10114	11.4
135.11684	20.6
137.09561	1.6
137.13234	2.9
145.10110	7.7
147.11670	8.8
149.13239	9.5
151.14769	2.0
157.10159	0.9
159.11644	5.7
161.13254	6.2
163.11145	1.4
163.14761	5.1
165.12688	1.5
173.13229	6.3
175.14784	3.1
177.16394	1.6
187.14783	3.9
201.16425	1.5
210.82379	1.0
233.22591	0.9
243.21037	7.6
261.22141	11.7
262.22504	1.1
279.23297	1.6
317.24725	3.7
335.25751	100.0
336.26126	2.9
337.61560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	3.9
55.01857	1.6
55.05259	1.6
55.05503	25.2
57.03432	27.7
57.07061	1.8
65.03918	3.5
67.05495	98.2
69.07056	20.6
71.04977	1.4
79.05481	47.0
79.99908	1.3
81.03433	1.2
81.07045	88.3
83.04974	1.6
83.08601	7.7
91.05473	23.3
91.49998	1.2
93.06455	2.6
93.07032	47.6
95.04957	4.7
95.08592	65.4
97.06504	5.0
97.10130	2.9
104.20210	1.4
105.07012	13.5
107.08579	25.7
109.10146	26.6
111.08060	2.0
116.96346	1.5
117.06992	4.9
119.08569	10.5
121.10126	19.7
123.08054	1.9
123.11697	8.4
125.09615	1.5
131.08548	8.5
133.10124	9.3
135.11655	13.1
137.13226	2.5
145.10155	8.0
145.11203	1.8
147.11638	7.0
149.13220	6.8
151.11263	1.2
159.11690	5.4
161.13229	6.2
163.14818	3.7
173.13240	3.9
175.14828	3.3
187.14799	3.5
201.16333	1.5
234.48305	1.2
243.21103	3.1
256.35757	1.5
261.22064	8.8
335.25757	100.0
336.26129	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	336.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97702	1.7
55.05489	2.1
57.03429	80.5
67.05468	1.7
68.05019	3.5
69.55645	14.2
70.06585	2.8
71.94406	1.8
79.05470	5.9
80.49094	1.8
81.07034	4.1
83.04985	2.2
85.02876	6.8
89.03906	3.8
91.05476	2.0
93.07021	7.5
95.04942	2.7
97.02869	3.2
101.93762	1.6
105.07012	3.3
117.03351	4.4
121.10133	46.7
127.03951	2.0
131.04845	1.9
135.04427	8.3
137.02333	2.3
137.41556	1.9
139.11160	100.0
140.11462	3.7
145.02783	4.8
147.04341	2.5
163.03893	40.9
214.10060	2.2
318.11523	1.9
337.09094	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21408	1.5
70.45059	1.4
70.63431	1.6
70.72446	4.1
92.01791	1.4
101.00833	4.1
119.01919	8.3
127.61745	1.4
131.01897	2.1
133.03403	1.9
145.03403	5.0
155.01852	3.1
156.01767	1.8
157.03484	8.0
161.02953	1.8
163.02669	1.6
173.02948	2.4
175.04448	3.5
179.12610	1.5
190.76880	1.5
201.05663	1.6
211.06418	2.1
221.04852	1.7
235.06511	5.0
245.04636	1.5
247.06480	5.8
258.15387	1.5
271.06366	2.1
337.08823	100.0
338.09113	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.2
55.16529	2.9
56.96558	24.7
57.03420	7.0
60.94141	3.3
61.02914	9.7
67.05499	2.9
69.03418	11.1
70.06577	10.2
70.92670	6.9
70.93014	3.1
70.98113	3.2
71.04990	7.3
73.02902	5.6
76.41032	2.7
78.85012	2.6
81.03388	3.3
85.02905	34.5
91.03973	3.6
97.02878	16.1
98.97572	28.8
107.34785	2.9
110.97536	6.7
112.99135	20.9
113.02238	3.5
116.98586	15.3
121.02895	3.8
127.03929	9.3
128.98619	8.4
129.11104	2.6
130.08649	7.4
131.00140	23.7
134.99641	4.1
139.03931	3.4
139.39531	2.9
145.01723	7.4
145.04935	4.0
145.06461	4.0
146.99675	11.8
149.01207	11.2
152.98691	3.1
153.07034	3.4
158.99666	5.4
159.03323	3.1
160.07555	13.5
161.01204	4.0
163.02682	4.6
163.03917	11.6
164.07016	3.0
165.00671	5.0
172.07602	8.9
173.01218	7.4
174.11256	4.7
174.96797	3.9
175.11606	6.2
176.09262	5.4
177.00711	3.7
178.04938	6.1
181.06531	4.3
184.07535	4.5
187.02788	3.4
188.96983	6.2
189.00703	5.2
191.02275	7.3
191.71387	3.3
193.03909	5.5
197.02792	3.3
200.07198	4.0
202.08578	5.8
206.98213	2.8
207.01711	3.9
211.04840	7.1
219.01826	11.0
227.07065	4.8
235.01247	3.4
237.02855	20.0
237.05081	3.9
255.06650	6.3
263.00760	9.6
277.05789	4.2
290.10211	3.8
291.08411	6.8
295.06860	5.3
308.11224	9.3
337.08841	100.0
337.13873	7.3
353.04742	3.1
355.09036	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	337.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01886	0.5
55.05480	0.5
60.52998	0.5
65.03909	0.6
67.05477	1.5
69.91330	1.9
69.91743	0.7
70.06584	0.6
79.05480	2.3
81.07033	0.8
86.87209	0.4
89.03912	9.8
91.05463	1.3
93.03378	0.5
95.04958	5.3
95.08570	0.6
105.07021	0.7
107.04932	3.0
107.08542	0.6
111.04432	1.1
117.03371	10.8
121.02883	0.6
123.04382	0.5
135.04407	24.2
139.03873	1.9
145.02844	12.7
147.04402	0.7
152.07050	0.8
162.93721	0.5
163.03894	100.0
164.04192	2.5
166.05038	0.5
176.43401	0.5
181.04961	1.7
186.25069	0.5
227.08173	0.5
319.12772	0.9
319.70883	0.6
319.75900	0.5
333.55380	0.5
337.09143	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	337.0914
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03929	0.7
53.78304	0.5
65.03933	0.5
67.05505	0.7
70.01865	2.8
79.05479	1.2
83.04958	0.6
86.84951	0.5
87.04500	0.4
89.03907	6.8
95.04962	4.4
103.48805	0.5
107.04943	2.2
109.64334	0.5
111.04427	0.6
115.07439	0.5
117.03368	10.1
117.04190	0.5
121.02871	0.8
135.04405	18.3
139.03891	1.5
145.02827	12.2
145.03967	0.7
163.03886	100.0
164.04288	2.7
181.04930	1.3
270.33301	0.6
337.08936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1431
Annotation	Hemileiocarpin
Peak:m/z	Relative Intensity
50.91017	0.4
53.03940	0.4
54.17538	0.4
55.01855	0.9
55.05503	2.3
55.96780	0.4
57.07071	0.7
59.04977	0.4
65.03911	1.0
67.05489	1.6
69.03400	1.2
69.07063	2.7
71.04974	0.5
71.54634	0.5
79.05486	2.8
81.03416	0.6
81.07045	4.1
83.04952	1.2
83.08619	0.5
85.06512	1.1
91.05470	17.3
93.07037	3.6
95.04955	3.0
95.08614	4.3
97.06503	1.7
97.10170	3.0
99.04427	0.4
103.05450	3.6
104.06241	1.1
105.07019	6.1
107.04945	5.0
107.08576	3.0
109.06509	2.3
109.10152	2.9
111.08054	0.8
115.05437	14.7
116.06218	1.2
117.07021	6.6
118.04115	2.1
119.04972	2.2
119.08546	4.7
121.02808	0.5
121.06509	2.2
121.10126	2.4
122.03609	1.0
123.08059	1.3
123.11694	1.5
125.09600	1.3
126.18983	0.4
128.06215	9.3
129.06989	23.8
130.07253	0.4
131.04919	7.9
131.08536	2.7
132.05695	4.9
133.06497	2.2
133.10101	2.5
135.04274	0.4
135.08037	2.9
135.11710	1.2
137.04973	0.7
137.05962	11.2
137.09628	0.6
139.07590	0.5
139.11151	1.4
141.06989	0.8
141.09059	0.7
143.04910	8.9
143.08539	0.7
143.10706	0.7
144.05618	1.2
145.06461	4.8
145.10075	0.8
146.03644	2.5
146.07231	1.8
147.04431	1.2
147.06889	0.7
147.08031	10.0
147.11659	1.0
148.05171	0.5
149.05992	2.4
149.09624	0.9
149.13249	0.6
151.07504	4.5
151.11125	0.9
153.06921	0.7
155.06032	0.7
155.08481	0.9
156.05655	1.8
157.06477	15.0
157.10074	1.0
157.12259	0.4
158.07222	1.1
159.04387	1.5
159.08017	1.5
159.11642	1.0
160.05179	11.0
161.05962	91.0
161.09541	4.0
161.13242	0.7
162.06314	2.0
163.03877	1.8
163.07518	4.9
163.11159	0.4
165.06857	0.6
165.09099	0.5
169.06477	0.8
170.07178	0.8
171.07993	1.1
173.05963	1.6
173.13301	0.5
174.06754	12.8
175.07527	100.0
176.07899	2.5
178.07747	0.6
181.06479	0.6
182.07256	0.8
184.05203	0.8
185.05907	1.0
185.09576	1.3
185.13211	0.5
187.07506	2.0
188.08321	1.6
189.09087	57.2
190.07735	0.5
190.09433	1.3
191.08528	1.7
192.09142	0.4
198.06808	2.0
199.07562	3.0
202.07755	2.7
203.08508	1.4
203.14284	0.8
204.09332	0.7
205.06479	1.4
205.08595	1.2
206.07204	0.9
207.08022	0.6
213.09081	7.7
215.08501	1.3
216.09166	0.9
217.10118	2.8
218.07242	1.6
219.08081	2.9
219.11789	0.5
220.08682	0.7
221.06061	0.7
221.09601	1.2
222.06837	0.7
223.07681	0.6
223.09647	1.4
226.07738	0.8
227.08517	0.7
230.07288	0.5
231.08078	1.5
232.08827	1.0
233.05992	1.0
233.09637	1.8
234.06729	1.4
234.10361	1.8
235.07484	1.2
235.11139	1.0
236.08269	0.8
237.09035	0.9
243.07867	0.5
244.08731	1.3
245.09622	7.9
246.10297	3.2
247.07564	3.0
248.08273	1.9
249.09184	2.4
249.12680	0.8
250.06096	0.8
251.06850	0.6
251.10710	1.2
255.07983	0.5
258.06650	0.9
259.07404	1.0
259.11249	0.8
261.06305	0.5
261.09058	3.4
262.06006	0.5
262.09924	4.5
263.06927	1.1
263.10727	1.9
264.07755	1.0
265.08493	2.9
266.09280	0.4
271.09753	0.7
273.09091	6.7
274.06949	0.5
274.09729	2.3
275.06985	1.8
275.10431	0.7
276.07822	1.5
276.11026	0.6
277.08560	2.4
277.12186	13.8
278.09177	0.7
278.12421	0.8
279.07138	0.7
279.10110	3.2
280.10815	0.5
281.08057	0.7
287.10562	1.0
289.08255	1.2
289.10742	1.6
290.09399	3.2
291.10074	2.8
291.23087	0.7
293.07993	5.7
293.11276	0.6
294.08774	1.0
294.12259	0.8
295.13165	0.5
296.10388	3.0
301.10672	0.4
301.21603	1.4
304.10880	0.8
305.08368	0.5
305.11673	15.3
306.12363	3.3
307.09549	4.9
308.10312	3.9
309.11197	1.1
309.14877	0.9
319.13126	0.8
319.22708	2.1
321.11050	1.1
322.12021	4.5
337.14304	71.6
337.23203	1.4
338.14722	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	337.2368
Annotation	hepoxilin B3
Peak:m/z	Relative Intensity
50.99844	0.6
52.27739	0.5
53.03924	0.9
53.13947	0.6
54.45684	0.6
54.63734	0.6
55.01858	0.8
55.05500	9.7
57.03426	4.9
57.07058	2.5
57.16078	0.8
57.78109	0.7
61.59197	0.5
61.98605	0.7
65.18176	0.6
67.05493	17.8
69.03395	0.8
69.07063	9.2
71.04984	1.0
71.08610	2.8
71.36361	0.5
71.45710	1.1
79.05479	6.5
81.07044	16.4
81.07511	1.1
82.07386	0.7
83.04955	1.6
83.08589	4.2
84.83458	0.7
85.06537	0.7
91.05453	2.8
93.07023	5.8
95.04958	0.8
95.08599	15.7
96.35796	0.6
97.06520	2.0
97.10163	3.6
99.08104	1.1
102.37768	0.7
105.07010	3.2
107.08592	4.8
109.06494	2.3
109.10151	5.3
111.04422	2.9
111.08032	0.9
117.06979	0.7
119.08563	2.4
121.06473	0.7
121.10171	3.2
123.08070	6.3
123.11649	3.2
123.82712	0.7
125.05995	1.9
133.10118	2.2
133.38657	0.8
135.08046	2.5
135.11684	2.3
137.05969	1.7
137.13229	1.6
147.11655	1.5
149.13220	0.7
151.07507	8.9
152.08344	3.9
161.13251	0.8
163.14655	0.7
165.09081	10.9
165.12691	1.0
175.14780	1.2
177.09016	1.0
179.10677	1.9
181.12183	1.0
191.10632	1.8
193.12193	1.8
195.13768	1.6
208.14572	1.1
209.15428	1.6
219.13802	2.7
221.15349	3.2
245.22578	1.1
263.23636	1.5
277.21637	2.6
291.23212	6.3
319.22623	46.1
320.22842	1.5
337.23697	100.0
337.27332	17.8
338.24225	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99844	0.6
52.27739	0.5
53.03924	0.9
53.13947	0.6
54.45684	0.6
54.63734	0.6
55.01858	0.8
55.05500	9.7
57.03426	4.9
57.07058	2.5
57.16078	0.8
57.78109	0.7
61.59197	0.5
61.98605	0.7
65.18176	0.6
67.05493	17.8
69.03395	0.8
69.07063	9.2
71.04984	1.0
71.08610	2.8
71.36361	0.5
71.45710	1.1
79.05479	6.5
81.07044	16.4
81.07511	1.1
82.07386	0.7
83.04955	1.6
83.08589	4.2
84.83458	0.7
85.06537	0.7
91.05453	2.8
93.07023	5.8
95.04958	0.8
95.08599	15.7
96.35796	0.6
97.06520	2.0
97.10163	3.6
99.08104	1.1
102.37768	0.7
105.07010	3.2
107.08592	4.8
109.06494	2.3
109.10151	5.3
111.04422	2.9
111.08032	0.9
117.06979	0.7
119.08563	2.4
121.06473	0.7
121.10171	3.2
123.08070	6.3
123.11649	3.2
123.82712	0.7
125.05995	1.9
133.10118	2.2
133.38657	0.8
135.08046	2.5
135.11684	2.3
137.05969	1.7
137.13229	1.6
147.11655	1.5
149.13220	0.7
151.07507	8.9
152.08344	3.9
161.13251	0.8
163.14655	0.7
165.09081	10.9
165.12691	1.0
175.14780	1.2
177.09016	1.0
179.10677	1.9
181.12183	1.0
191.10632	1.8
193.12193	1.8
195.13768	1.6
208.14572	1.1
209.15428	1.6
219.13802	2.7
221.15349	3.2
245.22578	1.1
263.23636	1.5
277.21637	2.6
291.23212	6.3
319.22623	46.1
320.22842	1.5
337.23697	100.0
337.27332	17.8
338.24225	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	HXB3
Peak:m/z	Relative Intensity
53.03934	1.0
55.01856	4.4
55.05505	42.0
57.07048	2.7
59.04980	1.2
65.74331	0.9
66.25008	0.9
67.05495	14.5
69.03418	3.9
69.07063	8.7
69.27439	11.1
71.08627	1.5
79.05485	12.8
81.07049	14.8
83.04961	4.2
83.08611	21.2
85.06529	3.7
85.70177	1.0
91.05466	3.0
93.07023	8.0
95.08598	10.3
97.06525	2.4
97.10159	37.3
98.20686	1.6
99.08028	1.6
105.07057	2.4
107.08582	17.5
109.06494	13.2
109.10151	5.9
111.04417	3.0
111.08059	2.9
117.07008	2.1
119.08562	3.8
120.51743	0.9
121.06530	1.5
121.10127	2.5
123.08033	10.8
123.11721	1.3
123.21774	1.0
125.05956	2.4
125.09616	33.0
133.10118	1.8
135.08038	21.1
135.11670	1.1
137.05945	2.2
137.09627	2.0
137.13240	2.7
138.70486	1.0
139.07500	1.6
143.10701	1.7
145.10135	1.2
147.11719	1.3
149.09616	2.2
151.07527	11.8
152.08279	3.5
153.09113	3.1
161.09543	2.6
163.03934	2.0
163.11102	1.2
165.09099	13.0
165.12733	15.9
167.14317	2.7
171.10175	2.3
171.11584	1.5
173.11691	2.8
177.12724	9.0
179.10664	1.4
179.14253	1.8
189.11198	16.6
191.10677	1.3
193.12224	5.1
219.13783	3.6
221.15321	3.3
235.16843	2.1
259.89691	1.0
277.21640	1.7
291.23141	7.6
301.21326	1.3
309.24329	1.7
319.22632	95.3
320.23203	5.3
322.03333	1.2
337.23694	100.0
338.24026	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	337.2368
Annotation	PGB1
Peak:m/z	Relative Intensity
53.03936	0.6
55.01864	0.6
55.05509	4.4
57.07068	0.7
61.02263	0.3
67.05497	3.0
69.07075	1.9
70.78588	1.1
71.04954	0.5
71.08622	2.2
79.05489	2.8
81.07048	3.4
83.04967	0.8
83.08593	1.5
85.06509	0.6
91.05453	1.3
93.07046	2.6
95.04955	0.9
95.08599	3.8
97.06493	0.8
97.10159	1.2
99.08053	1.0
105.06999	1.4
107.08578	2.9
109.06505	2.4
109.10146	1.4
111.04433	4.1
119.08580	2.0
121.06480	0.8
121.10124	1.3
123.08057	6.6
124.08858	0.8
125.05962	2.3
125.09625	0.6
133.10097	0.7
135.08025	2.2
135.11674	1.2
137.05989	2.0
137.09567	0.7
138.06735	0.5
138.73517	0.4
139.07521	0.8
143.08408	0.5
145.10066	0.9
147.08040	0.7
147.11664	0.8
149.09544	1.0
151.07526	10.7
152.08310	4.9
153.12697	0.4
157.10156	0.6
161.09566	0.5
161.13260	0.4
162.10284	0.4
163.07458	0.7
163.11166	0.5
164.08211	0.4
165.09091	14.7
165.12752	0.8
166.09909	0.7
175.11098	0.7
175.14783	0.5
177.09143	0.6
177.12805	0.5
179.10654	2.1
179.14288	1.1
181.12206	1.1
191.10635	1.4
193.12292	2.3
195.13783	1.3
203.14188	0.4
208.14528	1.8
209.15308	0.7
219.13763	3.8
221.15327	4.2
234.16066	0.4
235.16942	0.6
277.21558	2.2
291.23175	6.3
301.21585	0.4
319.22653	48.2
320.22998	2.0
337.23700	100.0
338.24020	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	337.2369
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03933	6.8
55.01862	4.6
55.05255	4.9
55.05504	70.3
57.03415	6.1
57.07064	10.4
59.04992	2.9
67.05491	33.9
67.65115	2.9
69.03403	11.0
69.07063	61.0
69.34711	6.6
69.35123	23.2
71.04980	22.7
71.08618	4.8
79.05486	25.9
81.03367	2.8
81.07047	100.0
83.04978	18.7
83.08620	19.8
85.06535	19.6
86.57195	2.8
91.05461	20.9
93.07034	62.4
95.04959	15.0
95.08597	89.8
97.06532	18.6
97.10158	83.1
99.04453	6.8
99.08076	4.7
101.06028	3.3
105.07015	36.2
107.08582	55.5
109.06528	19.1
109.10145	48.9
109.10819	4.8
111.08044	7.9
111.11700	12.1
115.89811	2.9
117.06947	4.7
119.08572	26.3
121.06492	7.1
121.10121	51.7
123.08046	12.5
123.11693	23.8
125.09623	21.7
127.07551	5.5
131.08571	9.9
133.10112	33.6
135.08032	7.0
135.11667	37.7
137.09602	13.1
137.13245	8.6
139.11116	15.1
141.09030	3.5
143.08607	5.0
143.10649	29.6
145.10104	18.7
147.11661	28.7
149.09604	10.9
149.13260	26.9
151.07544	4.6
151.11165	29.2
153.08995	3.6
153.12732	6.9
157.10129	5.4
157.12181	5.7
159.11688	17.0
161.09608	6.3
161.13231	11.6
163.11162	16.5
163.14865	4.5
165.09068	7.9
165.12762	12.5
167.10672	4.2
167.14359	3.5
171.11690	7.2
173.13257	7.0
175.11150	12.8
175.14790	5.0
177.12711	10.2
177.16354	4.8
179.10669	5.8
179.14301	5.1
181.12234	12.3
187.14729	3.6
189.11192	3.6
189.12781	6.2
193.12244	10.5
195.13799	9.0
199.14680	3.3
203.14378	5.5
207.13724	3.6
213.16330	3.5
255.21022	4.0
273.22052	6.5
275.30225	3.1
283.20663	4.2
283.24130	4.5
289.00909	3.1
291.23148	5.0
293.21091	9.1
301.21585	16.8
301.24951	6.4
319.22629	20.6
319.26306	20.3
337.23608	12.1
337.27408	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	337.237
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03930	6.6
55.01857	3.2
55.05505	82.8
55.05916	3.6
57.03408	5.3
57.07061	9.2
59.04980	5.9
67.05501	35.5
69.03428	17.0
69.07062	89.7
69.07437	4.7
70.07331	2.1
70.46205	4.4
70.46591	5.4
71.01340	8.1
71.04983	36.1
71.72620	2.0
79.05484	30.3
81.07050	95.0
82.32888	2.3
83.04973	38.7
83.08595	11.7
85.06519	8.0
87.04480	3.4
91.05468	20.6
93.07037	76.5
95.04951	18.4
95.08596	85.1
97.06533	24.2
97.10159	100.0
98.06180	2.3
99.04430	3.5
99.08082	3.2
101.05988	3.1
103.05348	2.2
104.67329	2.4
105.07016	32.8
107.08588	52.2
109.06515	19.0
109.10145	47.9
111.08067	8.7
111.11711	18.9
113.09628	2.5
115.11194	3.6
117.07024	5.0
119.08575	28.8
121.06496	9.0
121.10131	49.6
123.08057	18.9
123.11693	15.2
125.09621	13.7
125.13287	3.0
127.07557	2.8
131.08511	9.0
132.08093	2.6
133.10117	27.0
135.08044	10.9
135.11668	32.2
137.05957	7.8
137.09599	22.3
137.13220	5.3
139.11154	45.0
141.09065	8.3
143.08505	4.4
143.10667	22.5
145.10100	19.4
147.08084	4.2
147.11696	12.6
149.09633	12.5
149.13252	21.6
151.07518	9.2
151.11133	10.3
153.12732	8.9
157.10103	8.6
157.12230	21.0
159.09172	10.5
159.11635	13.9
161.09605	7.7
161.13202	7.1
163.03889	5.8
163.11140	19.5
163.14789	4.6
165.09076	5.6
165.12683	3.1
167.10619	5.0
171.11679	5.3
173.13205	4.2
175.11185	8.1
175.14787	3.7
177.12729	9.4
177.16313	3.1
179.10646	4.8
179.14249	3.4
181.12198	12.2
185.13214	3.7
187.09613	4.0
187.14783	5.3
189.56204	2.5
191.14326	3.4
195.13789	6.7
197.13191	2.7
203.14351	4.0
207.13948	4.0
213.16483	3.3
217.15805	2.9
221.15288	3.6
228.08411	2.6
255.21028	5.1
273.22058	7.2
283.20480	5.4
291.23099	13.5
293.21027	5.1
301.21576	27.6
319.22662	26.2
337.08771	3.2
337.14484	2.9
337.23685	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.00501	2.3
53.03934	4.8
53.63032	2.9
55.01862	4.1
55.05503	76.7
57.03435	5.0
57.07060	8.2
59.04981	4.5
59.60542	2.7
67.05496	40.6
69.03410	18.0
69.07059	89.0
69.89871	15.2
71.01334	7.4
71.04984	34.0
78.67905	2.7
79.05484	25.1
81.07047	92.2
81.07513	6.4
83.04974	40.0
83.08608	11.8
85.06535	12.6
91.05469	19.5
93.07034	79.4
95.04438	3.2
95.04950	19.7
95.08591	96.4
97.06524	25.2
97.10156	100.0
99.04468	5.3
99.08112	3.0
105.07014	36.6
107.07850	5.6
107.08571	68.8
109.06496	16.1
109.10130	43.6
111.04428	2.8
111.08069	6.7
111.11710	24.0
111.16726	2.9
115.11207	3.6
117.06991	4.5
119.08578	26.0
121.06476	8.0
121.10113	50.6
123.08075	19.9
123.11698	17.3
125.05915	4.4
125.09630	20.1
125.13274	5.3
130.07877	3.1
131.08571	7.7
132.08089	3.4
133.10110	29.2
135.08046	10.7
135.11668	35.4
137.05991	9.5
137.09607	21.6
139.11147	47.8
141.09091	9.0
143.08592	3.3
143.10651	17.2
145.10092	21.3
147.08032	4.6
147.11638	15.8
149.09615	11.6
149.13249	24.0
151.07549	11.0
151.11186	14.0
153.09021	3.7
153.12741	9.7
155.10655	3.8
157.10126	6.9
157.12259	17.5
158.16246	3.0
159.09222	13.7
159.11702	15.7
161.09599	7.9
161.13223	7.6
163.03915	6.3
163.11168	21.9
163.14844	3.4
165.09084	6.4
165.12810	6.1
171.11655	4.8
173.13226	5.9
175.11172	7.9
175.14821	5.2
177.12723	10.3
179.10698	8.5
181.12262	15.6
185.13225	6.4
189.11203	3.1
189.16325	4.5
192.72726	3.1
193.12155	3.2
195.13765	5.6
199.14844	4.7
203.14307	3.8
205.12111	4.9
205.15952	3.0
221.11403	2.8
256.49310	3.0
273.22073	6.9
275.20093	3.3
283.20593	5.9
291.23083	13.8
293.21323	6.4
301.21585	36.6
319.22736	30.0
337.23792	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35934	0.8
53.03934	2.8
55.01860	2.1
55.05504	39.3
57.03431	25.2
57.07069	6.7
65.03930	2.9
67.05496	84.8
68.05817	1.9
69.03425	0.9
69.07060	51.0
69.26247	8.8
71.04959	1.8
71.08624	2.1
78.10844	0.8
79.05482	26.5
81.07045	85.3
82.07381	2.2
83.04944	2.3
83.08140	1.3
83.08609	24.5
85.06516	2.2
85.10168	0.9
91.05462	14.9
93.07027	23.2
95.04939	2.4
95.08595	59.7
96.08934	2.4
96.64841	0.8
97.06537	4.9
97.10153	13.0
99.08078	1.8
105.07027	9.6
106.25900	0.9
107.08571	11.8
109.06480	1.7
109.09448	1.6
109.10144	20.7
111.08051	2.2
111.11678	2.6
113.09647	1.1
119.08564	9.0
121.10120	9.2
123.08083	1.1
123.11687	10.3
125.09594	2.3
133.10114	9.9
135.11674	7.5
137.09604	1.3
137.13229	3.2
147.11696	4.4
149.13234	2.5
151.11148	1.0
151.14801	1.2
153.12715	1.2
161.13243	4.4
163.03882	1.0
163.14839	2.7
175.14801	2.7
238.61075	0.8
245.22585	1.4
263.23669	4.1
337.27319	100.0
338.27722	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03928	2.7
55.01859	1.9
55.05257	1.6
55.05507	31.3
57.03179	1.4
57.03431	20.2
57.07063	5.7
58.94265	0.9
61.58698	0.8
65.03917	2.7
67.05498	72.2
68.05804	1.6
69.07059	38.7
69.52558	2.4
69.52986	5.2
71.04970	1.3
71.08630	2.8
79.05039	1.3
79.05485	20.2
81.07048	72.2
83.04957	1.8
83.08609	21.7
85.06538	2.1
85.10162	1.2
91.05474	12.2
93.07034	20.4
95.04976	1.7
95.08595	55.0
96.08930	1.3
97.06521	4.3
97.10154	12.7
97.59595	0.7
98.21463	1.7
99.08047	1.8
104.06276	0.9
105.07008	8.6
107.08582	10.8
109.06509	1.9
109.09429	1.6
109.10143	23.1
111.08050	2.1
111.11707	2.0
119.08581	8.3
121.10121	10.0
123.08016	1.9
123.11675	9.9
125.09605	1.9
133.10109	8.0
135.11650	4.8
137.09570	1.6
137.13235	2.5
144.08064	4.3
147.11641	5.5
149.13237	3.1
151.14806	1.6
153.12695	1.0
158.52873	0.9
161.13263	4.3
163.14792	2.9
175.14813	2.6
178.67711	1.0
189.16313	1.5
245.22598	2.2
246.41205	0.8
250.86263	1.1
263.23648	5.8
281.10010	0.9
337.27325	100.0
338.27591	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.52395	0.9
51.59589	0.9
52.56468	1.0
53.03923	3.2
55.05505	36.1
56.16041	0.8
57.03178	1.4
57.03432	23.8
57.07065	6.2
61.52103	0.9
65.03930	2.2
67.05497	76.9
69.07060	42.2
69.79701	6.4
70.38800	0.9
71.04953	2.6
71.08613	2.6
73.43595	0.9
77.35825	1.0
79.05485	21.0
81.07048	84.4
82.07369	2.1
83.04950	2.5
83.08611	22.4
85.06493	2.3
85.10146	1.3
91.05474	13.6
93.07034	21.8
94.07365	1.2
95.04971	2.1
95.08595	67.3
97.06516	4.4
97.10168	12.0
99.08073	2.3
99.11726	1.0
105.07018	9.8
107.08586	14.0
109.10141	26.5
111.08053	3.2
111.11693	2.5
119.08571	7.4
121.10119	10.9
123.08053	2.0
123.11699	10.3
125.09556	1.6
125.13242	1.1
133.10107	10.0
135.11679	5.7
137.13220	4.3
146.19296	1.0
147.11674	6.8
149.13251	4.3
151.14781	3.0
161.13260	4.7
163.14812	4.3
165.12810	1.6
166.10429	1.1
175.14780	3.5
177.16319	1.3
189.16353	2.2
198.01215	1.0
235.48573	1.3
245.22614	4.5
263.23703	8.1
337.27325	100.0
338.27792	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.02378	0.4
53.03939	1.8
55.01857	1.5
55.05505	40.0
56.05842	0.5
57.03430	26.8
57.07067	5.9
61.65567	0.3
65.03926	3.4
67.05496	85.7
68.05819	1.2
69.03406	0.8
69.07059	49.0
70.07375	0.7
70.61341	1.0
71.04976	2.7
71.08617	2.2
73.06529	0.5
79.05485	22.7
81.07047	81.3
82.07372	1.0
83.04971	2.1
83.08610	24.1
85.06532	2.9
85.10165	0.7
91.05466	14.9
93.07034	20.3
94.07349	0.4
95.04956	1.6
95.08595	61.1
96.08901	1.3
97.06508	4.5
97.10155	12.0
99.08057	1.7
101.05997	0.4
105.04494	0.4
105.06350	0.7
105.07017	10.2
105.49382	0.4
107.08585	11.6
107.83633	0.3
109.06543	0.7
109.10142	22.4
111.08069	3.3
111.11705	2.8
113.09615	1.1
117.07000	0.5
119.08566	8.4
121.10130	9.2
123.08067	1.0
123.11694	10.1
124.87602	0.3
125.09587	1.8
125.13233	0.5
131.08531	0.8
133.10106	8.0
135.11676	5.5
137.09595	1.2
137.13255	3.9
139.11162	0.7
145.10051	0.6
147.11658	5.5
149.13242	3.8
151.11197	1.1
151.14781	1.6
153.12724	0.9
161.13255	4.1
162.13635	0.4
163.14769	2.7
165.12767	0.7
165.16389	0.5
175.14777	2.9
177.16383	0.8
179.14221	0.8
181.15909	0.6
189.16324	1.2
191.17799	0.3
193.15877	0.7
203.18103	0.5
207.17439	0.3
221.13298	0.5
224.44562	0.4
245.22661	1.5
263.23672	4.8
277.19427	0.4
337.27322	100.0
338.27725	5.0
339.52264	0.4
353.85818	0.3
354.41238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36541	1.9
53.03917	3.2
55.01863	5.5
65.03939	2.6
66.42652	2.3
67.01855	4.1
67.05504	5.0
68.99780	13.9
69.03434	5.2
70.62302	6.5
81.03412	4.5
83.01325	2.8
83.04958	5.0
91.05482	5.0
93.03349	2.3
93.07018	2.5
94.04194	2.8
95.04952	7.8
95.95744	1.9
97.02885	9.8
97.03426	1.9
105.06976	2.5
107.04900	4.9
107.08569	2.1
109.02853	7.5
111.00826	3.9
111.04433	7.2
113.02354	2.5
119.04910	7.3
119.71831	1.8
121.02824	6.1
123.04425	23.7
125.02336	9.4
127.03912	6.6
127.67784	2.0
131.04884	3.6
133.02802	2.3
135.04416	6.3
136.07515	3.9
137.02350	7.1
137.06094	3.1
139.03885	100.0
140.04730	13.3
141.01801	2.9
145.02823	5.1
145.06470	2.2
147.04417	22.0
149.02357	6.5
149.05971	3.5
151.03914	15.1
153.01813	6.2
155.03375	80.2
159.04391	5.4
160.07578	4.2
161.05968	3.8
163.03888	29.1
164.07031	3.5
165.01862	3.8
165.04311	3.3
165.05469	6.5
167.03406	4.3
168.04153	15.2
169.04950	6.4
171.04399	2.6
175.03877	4.8
177.05443	48.9
179.03374	15.5
181.04971	10.4
185.18898	2.4
187.03923	8.7
189.05386	4.8
191.03355	9.4
193.04919	2.5
197.04472	2.2
201.05328	5.1
203.03377	67.8
204.03894	3.3
205.04962	24.8
213.05531	3.9
215.03391	10.9
217.04814	4.2
221.04416	5.4
229.04999	5.0
231.02875	8.0
231.06569	2.7
233.04402	22.1
247.06033	16.3
251.05495	12.2
257.04370	7.5
258.11432	2.5
259.05933	4.2
259.98083	2.2
275.02802	2.3
275.05429	11.7
277.03290	3.9
277.07263	3.1
285.03735	2.3
295.04404	16.8
303.04922	10.4
305.17413	3.2
321.06015	53.7
321.14301	2.7
339.06937	29.2
339.15607	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	339.107
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.72582	0.6
60.29530	0.6
65.03902	0.8
69.91360	1.6
69.91751	1.5
70.75011	0.6
75.10409	0.7
79.71114	0.6
91.05470	8.0
118.51771	0.7
119.04938	18.6
120.10062	0.6
128.05424	0.7
147.04396	100.0
148.04698	1.4
173.02029	0.7
219.02928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
63.09869	2.4
65.69676	2.2
70.88077	5.6
91.05470	13.7
119.04939	29.4
137.47049	1.9
147.04385	100.0
322.10590	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	339.107
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
56.87536	0.5
65.03918	1.1
70.26326	2.0
74.84284	0.5
83.04987	0.7
91.05470	11.2
93.24712	0.5
119.04922	24.8
120.05299	0.7
147.04390	100.0
148.04698	1.2
165.05487	0.8
219.02737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1799
Annotation	Ankalactone
Peak:m/z	Relative Intensity
53.03923	0.8
55.01866	7.3
55.05490	2.5
57.03184	0.8
57.03434	12.1
57.07037	1.1
58.06623	0.6
59.04991	1.1
61.02903	1.8
65.03925	1.4
67.05491	4.7
69.03421	47.6
69.07040	2.4
69.30568	7.2
70.48698	0.7
71.01347	13.9
71.04992	1.0
71.80641	0.6
73.02896	1.5
79.05504	3.7
79.05875	0.8
80.41682	0.7
81.03404	1.3
81.07053	11.0
83.04946	2.7
83.05393	0.6
84.71703	0.6
85.02895	56.1
85.06510	1.6
87.04460	6.3
91.04955	1.0
91.05475	12.0
93.07027	3.7
95.04934	1.7
95.08599	8.1
97.02881	36.6
97.06508	1.1
98.03199	1.0
103.05451	1.6
105.07017	19.5
107.08561	6.2
109.06512	5.6
109.10152	13.1
110.05987	0.6
111.04449	4.0
115.03918	43.2
116.04272	0.7
117.03415	1.5
117.07010	3.2
119.04931	13.0
119.08568	18.6
121.06532	1.3
121.10139	7.2
123.04396	1.1
123.08062	4.5
123.11694	33.1
125.06001	6.3
129.05489	1.1
129.06976	2.0
130.07755	1.0
131.08522	4.2
133.06493	2.2
133.10126	0.8
135.04369	1.0
135.08110	0.9
136.07504	0.8
137.05951	2.2
137.09625	1.8
137.13260	1.2
139.07518	1.0
141.05429	0.6
142.93153	0.6
143.07013	1.3
143.08592	1.8
143.66191	0.7
145.02835	3.0
145.06465	0.8
145.10089	5.9
146.10977	0.7
147.04390	48.7
147.08032	4.0
147.11668	21.3
148.04686	2.0
148.11995	0.9
149.05960	2.3
149.09586	6.7
150.09442	0.7
151.07533	8.6
153.01811	2.7
156.09328	2.7
159.08101	0.9
159.11633	0.9
161.06042	1.0
161.09509	1.2
161.13213	1.9
163.03873	2.2
163.11191	1.0
165.05513	1.4
165.09007	0.8
165.12758	0.7
166.08597	1.5
167.10631	1.0
171.11699	3.2
172.01994	0.7
174.04932	0.7
174.10435	1.5
175.06006	2.3
177.05431	5.9
189.12717	14.9
191.06979	1.2
199.05940	1.7
205.04898	1.4
207.13779	40.2
208.14140	1.4
225.14835	3.3
233.50253	0.7
239.09065	1.9
249.03879	1.7
249.07408	0.7
265.10764	1.1
273.14905	1.4
279.15906	7.9
286.11005	0.7
291.15836	2.3
303.16058	1.0
321.11237	1.0
321.16943	19.6
322.13885	0.9
339.07126	2.6
339.17987	100.0
340.18280	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03934	1.9
53.55379	0.8
55.05504	47.4
57.03420	2.0
57.07066	1.6
67.05497	7.3
69.03417	2.5
69.06709	1.5
69.07062	20.0
69.88236	5.0
71.04981	1.0
76.78875	0.8
77.18449	0.8
79.05482	3.0
81.03396	1.6
81.07049	18.7
83.04964	1.4
83.08598	3.7
85.06517	2.3
85.99043	0.7
87.08106	1.2
91.05460	2.4
93.07040	8.2
95.04955	2.7
95.08598	28.4
97.02887	0.8
97.06534	2.3
97.10161	100.0
98.10494	1.8
98.21397	1.0
99.08094	1.9
101.05993	2.4
105.07008	5.6
107.08582	7.3
109.02892	1.1
109.06500	1.7
109.10149	8.3
111.08054	1.7
111.11684	1.1
117.06974	1.0
119.08548	5.8
121.10126	5.4
123.08038	1.8
123.11684	4.9
125.09621	19.3
131.08557	1.4
133.10106	3.1
135.11671	3.3
137.09587	2.5
137.13225	2.8
139.11154	3.6
139.94568	0.8
141.09155	1.8
143.10658	38.4
144.11076	1.0
145.10136	1.9
147.11707	3.1
149.09641	1.1
149.13257	4.2
151.07468	1.2
151.11169	1.2
151.14856	4.9
157.12260	2.5
159.11707	2.5
161.13280	3.1
163.11124	1.0
163.14786	1.4
165.09018	1.0
165.12752	3.4
167.14270	2.4
171.10112	4.3
173.13235	1.8
177.05554	0.9
179.14256	3.6
187.14787	2.0
189.11188	8.4
195.13776	1.7
203.17914	1.3
205.15994	1.3
215.12448	0.8
275.23743	1.2
285.22177	1.0
293.24673	2.2
303.23227	7.7
321.24219	32.7
322.24567	1.8
326.48935	1.0
339.25204	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03942	3.1
53.88191	2.1
55.05251	3.8
55.05506	51.1
57.07063	5.6
67.05495	14.7
69.03410	2.8
69.07054	30.2
70.67560	7.3
79.05465	11.2
81.07049	51.9
83.04984	2.8
83.08602	6.7
85.06525	5.9
91.05481	7.9
92.01842	1.9
93.07031	33.0
95.04951	6.0
95.08595	46.2
96.88721	2.4
97.06530	6.9
97.10159	100.0
98.01115	2.4
98.10493	3.7
98.12486	1.9
99.08096	2.2
101.77161	2.1
104.48576	2.4
105.07022	16.2
107.08584	26.1
109.10152	33.2
111.08064	5.5
111.11756	3.1
113.05997	2.5
117.06985	2.2
119.08569	10.8
121.10128	24.3
123.11683	20.8
125.09613	18.5
131.08467	3.1
133.10143	8.4
135.11693	20.9
137.09637	4.1
137.13232	4.6
139.11180	8.4
140.91496	2.1
143.10658	41.5
145.10101	4.2
147.11667	8.4
149.13258	8.3
151.11125	2.9
153.12767	4.9
157.07169	2.2
157.12288	3.7
159.11717	3.1
161.13292	7.2
163.11194	3.4
165.12715	2.9
171.10172	5.3
173.13124	3.1
175.14775	3.3
177.33926	2.1
187.14723	2.4
189.11189	9.9
275.23749	2.6
285.22055	2.7
291.23071	3.2
293.24768	4.6
303.23151	16.7
309.24249	4.6
321.24249	17.2
339.12167	4.0
339.25409	8.9
363.60187	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03942	1.3
53.70905	0.7
55.01867	1.0
55.05506	42.8
56.05827	0.9
57.07068	1.5
67.05498	4.5
69.03419	2.0
69.07059	15.8
70.24625	2.6
71.04972	1.0
71.18158	0.6
73.02927	1.0
75.49078	0.7
77.88634	0.8
79.05483	2.6
81.07052	11.3
83.08606	4.7
85.02908	1.1
85.06529	1.5
87.08099	1.0
91.05482	3.1
93.07037	6.5
95.04971	1.3
95.08600	18.4
97.06530	1.7
97.10161	100.0
98.10484	1.9
99.08088	0.8
103.05411	0.7
105.07057	5.4
107.08581	6.4
108.94853	0.7
109.06525	0.9
109.10156	8.2
119.08562	6.8
120.13786	0.7
121.10168	3.6
123.11720	2.5
125.09623	18.5
125.96841	0.7
131.08583	2.1
133.10120	2.4
135.11661	4.7
139.11148	1.8
143.10657	46.9
144.08072	8.1
144.11050	0.8
145.10085	1.1
147.11684	2.3
149.13266	2.7
151.11104	0.8
151.14783	1.7
152.14348	1.7
157.10138	0.8
159.11678	2.3
161.13237	3.2
163.11172	0.7
163.14716	0.7
165.12740	1.3
166.09111	0.7
171.10167	4.5
173.13260	1.3
175.14796	1.3
177.05479	1.5
177.12738	0.9
179.14215	0.9
187.14743	0.9
189.11238	11.6
203.50615	0.8
211.56956	0.7
212.36270	0.7
229.15851	0.9
261.18317	0.8
275.23599	1.0
277.21677	1.1
285.22046	1.4
291.23148	1.1
303.23206	6.2
303.82239	0.8
309.24246	3.9
321.24182	11.9
322.24304	0.9
339.12183	1.2
339.23856	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03936	1.2
55.05507	47.5
57.03436	1.7
57.07065	2.8
59.04985	0.9
62.39702	1.0
67.05502	8.8
69.03434	1.9
69.07063	20.4
69.80672	5.7
71.04996	1.6
71.08611	1.3
73.06555	0.9
79.05486	5.4
81.07050	26.7
82.54739	0.8
83.04971	2.0
83.08614	4.6
83.95964	0.9
84.34532	0.9
85.02901	1.1
85.06543	2.4
87.08096	1.5
91.05467	4.5
93.07033	9.3
95.04949	2.5
95.08600	35.7
96.74768	0.8
97.06518	3.0
97.10163	100.0
98.10474	1.9
99.08086	2.0
101.06010	1.7
105.07018	7.2
107.08582	10.3
108.98590	0.9
109.06507	3.0
109.10149	11.8
111.08069	2.7
111.11690	1.4
117.06982	1.4
119.08558	6.4
121.06509	1.7
121.10132	7.5
123.08051	2.7
123.11687	6.6
125.09616	21.8
129.07036	1.5
131.08528	1.4
133.10101	3.6
135.11659	5.2
137.09674	1.0
137.13242	2.2
139.11186	3.4
141.09140	1.4
143.10661	39.3
144.08052	6.2
144.11040	1.1
145.10075	2.8
147.11647	4.3
149.05923	1.0
149.13174	4.3
151.07542	1.8
151.11165	2.3
151.14832	5.1
154.52794	0.9
157.12253	2.1
159.11708	1.8
161.13234	4.4
163.11156	2.1
163.14871	1.7
165.12769	2.1
167.14296	2.5
171.10185	2.6
175.14813	2.0
177.05484	1.6
177.12694	1.6
178.13493	0.9
179.14293	4.2
183.11766	1.0
185.13281	1.1
187.14825	2.4
189.11215	7.9
195.13814	1.1
201.09042	0.9
201.16513	1.0
205.15877	1.6
243.10054	1.9
247.07556	1.8
251.10674	1.0
264.07727	1.2
275.23669	2.1
277.21646	1.4
285.22250	1.3
291.23468	1.1
293.24686	1.4
303.23184	8.5
307.09741	1.1
309.24283	1.8
321.24216	32.3
322.24579	1.7
339.12241	2.3
339.15988	1.5
339.25223	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13526	0.2
55.01867	0.2
59.99696	0.2
61.02934	0.2
65.03926	0.3
69.03415	1.0
73.04761	0.3
81.03404	0.5
85.02895	2.1
88.28895	0.2
89.03899	0.6
91.03946	0.2
91.05784	1.0
95.04993	0.3
97.02881	1.0
98.20760	0.5
99.04446	0.2
105.03382	0.6
107.04964	0.3
109.02871	0.3
113.43002	0.2
117.03358	0.7
121.02852	0.5
123.04414	11.6
127.03883	0.4
133.02840	9.4
135.04404	2.9
137.05968	0.5
145.02806	0.4
147.04398	0.5
149.02267	1.0
151.03880	3.8
163.03885	2.7
167.03380	0.4
179.03374	100.0
180.03711	1.8
205.06493	0.2
278.60663	0.2
287.13474	0.2
290.59824	0.2
341.08743	1.0
359.02905	0.6
361.39127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0864
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02376	0.2
61.02908	0.5
62.62107	0.2
65.70081	0.2
69.03429	1.1
71.04970	0.3
73.04745	0.2
81.03399	0.5
84.73336	0.2
85.02892	2.2
89.03897	0.5
91.05791	0.5
93.77283	0.2
95.04947	0.3
97.02859	0.9
105.03358	0.6
109.02867	0.5
111.04405	0.3
117.03388	0.4
121.02841	0.4
123.04409	11.0
127.03903	0.4
133.02837	9.3
135.04395	1.9
137.05986	0.5
139.03891	0.3
144.07297	0.2
145.04922	0.4
147.04318	0.3
149.02283	0.9
151.03876	3.5
154.41223	0.2
163.03873	2.2
179.03369	100.0
180.03717	1.5
194.02972	0.2
195.78307	0.2
249.05359	0.2
341.08679	0.7
359.02734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01859	1.8
56.96563	1.2
57.03418	2.4
61.02925	0.9
65.03928	1.9
69.03425	11.3
69.27494	9.8
71.04985	4.4
73.02914	1.6
73.04752	1.7
79.05477	1.5
81.02956	1.3
81.03413	16.0
83.03905	1.1
85.02869	1.3
91.05832	6.2
93.00448	1.0
97.02864	3.2
99.04462	4.6
106.06534	3.4
107.04899	1.1
111.04430	1.7
121.02860	4.4
123.04447	6.3
133.02821	3.1
133.07576	7.5
135.04364	3.0
135.09180	2.0
137.05931	1.1
139.03877	2.3
145.07590	2.5
146.08365	2.8
147.09207	2.2
148.04709	1.2
149.02322	8.1
151.03867	1.7
161.07094	42.0
162.07622	1.0
163.03883	4.0
163.08650	4.1
167.03348	1.7
173.07098	7.3
175.08754	2.1
179.03378	35.6
180.03711	2.3
187.03860	1.7
189.06584	20.0
191.08127	23.8
198.47435	0.9
203.08168	3.1
207.07640	45.3
216.99251	1.1
221.05972	1.9
241.09792	1.5
259.10876	2.3
277.11743	2.2
287.10187	2.3
295.12909	6.2
305.11288	13.1
323.12344	100.0
324.12643	3.0
341.13351	3.4
342.99905	1.4
359.02881	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03925	1.1
57.27218	1.0
67.05505	1.1
68.71278	1.0
69.03416	1.6
69.07080	1.2
69.28568	4.1
69.28992	7.8
71.01956	0.9
74.44437	1.2
79.05482	2.9
81.07050	2.1
85.02885	1.8
91.05466	3.6
93.07050	1.7
94.04171	3.7
95.04942	2.1
98.21430	1.7
103.05447	3.5
105.07027	2.0
107.04929	5.8
107.08602	1.6
109.06522	3.0
115.05414	1.6
117.06995	1.1
119.04895	2.0
121.06477	1.3
122.03633	7.5
123.04454	1.4
128.06212	2.9
129.06979	7.3
131.04955	6.1
131.08559	1.6
133.02837	1.5
133.06496	1.3
137.02388	2.2
137.05966	100.0
138.06282	1.5
143.08533	1.5
144.05640	2.6
145.06477	2.8
146.03577	2.0
146.07298	1.2
147.04427	3.7
149.05934	3.0
151.03918	2.5
151.07535	8.1
153.01794	1.2
154.86284	1.1
157.06523	5.2
158.07251	1.6
159.08162	1.4
160.05170	2.4
161.05971	3.2
163.03879	1.8
163.07509	4.9
165.05423	1.4
167.07127	2.4
171.08017	2.4
172.05185	6.0
174.06757	9.2
175.07541	7.6
176.03346	1.2
179.07056	2.7
181.06380	1.1
187.07524	33.5
187.09123	2.3
188.08292	1.4
189.09059	13.3
190.07809	1.8
191.06961	3.2
191.08542	4.6
199.07516	3.7
202.07808	4.8
203.08551	10.3
205.06487	3.3
207.08029	1.4
208.08978	1.4
209.08040	1.2
211.07576	3.6
213.05426	1.2
217.08585	21.8
218.07214	1.5
219.08072	12.0
220.08742	5.8
221.06058	1.7
221.09592	1.8
222.06720	1.8
225.09213	1.1
227.06947	5.0
231.08055	15.2
232.08751	3.1
233.06078	2.0
233.09496	1.9
235.07564	4.6
236.08232	4.2
237.09120	3.0
239.07089	2.1
240.07808	1.7
247.07503	9.1
248.08316	15.4
249.08917	2.6
250.00089	1.1
251.06993	1.5
251.10750	4.9
253.05081	1.3
253.08469	2.5
255.06473	3.4
256.07373	1.7
259.07458	4.2
260.08255	3.1
261.09006	3.9
263.07108	2.0
263.10638	16.2
264.07742	3.3
264.10626	1.1
265.08591	7.3
266.09268	1.3
270.08847	7.1
271.09555	7.5
276.07797	7.0
277.08551	5.2
279.10107	13.4
280.10815	3.0
281.08087	2.4
281.11725	2.4
283.09619	2.8
291.10120	35.3
292.10672	2.9
293.08038	6.0
293.11353	1.9
295.09637	1.7
296.10419	9.0
297.11163	2.8
302.04224	1.9
308.10434	3.4
309.11182	5.0
311.12753	14.9
312.13156	1.2
315.04861	1.3
323.12778	35.8
324.13205	1.5
341.06418	2.7
341.13791	27.0
342.05902	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	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
57.27218	1.0
67.05505	1.1
68.71278	1.0
69.03416	1.6
69.07080	1.2
69.28568	4.1
69.28992	7.8
71.01956	0.9
74.44437	1.2
79.05482	2.9
81.07050	2.1
85.02885	1.8
91.05466	3.6
93.07050	1.7
94.04171	3.7
95.04942	2.1
98.21430	1.7
103.05447	3.5
105.07027	2.0
107.04929	5.8
107.08602	1.6
109.06522	3.0
115.05414	1.6
117.06995	1.1
119.04895	2.0
121.06477	1.3
122.03633	7.5
123.04454	1.4
128.06212	2.9
129.06979	7.3
131.04955	6.1
131.08559	1.6
133.02837	1.5
133.06496	1.3
137.02388	2.2
137.05966	100.0
138.06282	1.5
143.08533	1.5
144.05640	2.6
145.06477	2.8
146.03577	2.0
146.07298	1.2
147.04427	3.7
149.05934	3.0
151.03918	2.5
151.07535	8.1
153.01794	1.2
154.86284	1.1
157.06523	5.2
158.07251	1.6
159.08162	1.4
160.05170	2.4
161.05971	3.2
163.03879	1.8
163.07509	4.9
165.05423	1.4
167.07127	2.4
171.08017	2.4
172.05185	6.0
174.06757	9.2
175.07541	7.6
176.03346	1.2
179.07056	2.7
181.06380	1.1
187.07524	33.5
187.09123	2.3
188.08292	1.4
189.09059	13.3
190.07809	1.8
191.06961	3.2
191.08542	4.6
199.07516	3.7
202.07808	4.8
203.08551	10.3
205.06487	3.3
207.08029	1.4
208.08978	1.4
209.08040	1.2
211.07576	3.6
213.05426	1.2
217.08585	21.8
218.07214	1.5
219.08072	12.0
220.08742	5.8
221.06058	1.7
221.09592	1.8
222.06720	1.8
225.09213	1.1
227.06947	5.0
231.08055	15.2
232.08751	3.1
233.06078	2.0
233.09496	1.9
235.07564	4.6
236.08232	4.2
237.09120	3.0
239.07089	2.1
240.07808	1.7
247.07503	9.1
248.08316	15.4
249.08917	2.6
250.00089	1.1
251.06993	1.5
251.10750	4.9
253.05081	1.3
253.08469	2.5
255.06473	3.4
256.07373	1.7
259.07458	4.2
260.08255	3.1
261.09006	3.9
263.07108	2.0
263.10638	16.2
264.07742	3.3
264.10626	1.1
265.08591	7.3
266.09268	1.3
270.08847	7.1
271.09555	7.5
276.07797	7.0
277.08551	5.2
279.10107	13.4
280.10815	3.0
281.08087	2.4
281.11725	2.4
283.09619	2.8
291.10120	35.3
292.10672	2.9
293.08038	6.0
293.11353	1.9
295.09637	1.7
296.10419	9.0
297.11163	2.8
302.04224	1.9
308.10434	3.4
309.11182	5.0
311.12753	14.9
312.13156	1.2
315.04861	1.3
323.12778	35.8
324.13205	1.5
341.06418	2.7
341.13791	27.0
342.05902	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01861	1.7
55.05503	7.1
57.03434	1.6
57.07084	2.8
67.05496	4.9
69.03407	2.1
69.07052	2.6
71.04996	4.6
71.22776	2.9
79.05487	4.3
81.03454	1.7
81.07046	8.1
83.08598	4.8
84.28239	1.3
85.02915	1.9
91.05469	5.7
93.07069	3.9
94.04177	3.4
95.04952	2.1
95.08609	4.0
97.06544	2.1
100.11250	12.8
103.05423	2.6
105.07037	5.6
107.04955	1.6
107.08578	3.8
109.06515	1.7
109.10192	2.1
111.04444	3.2
115.05445	3.5
117.07039	2.9
119.04921	1.8
119.08573	3.6
121.10162	2.0
122.03628	7.6
123.11702	1.8
125.05973	2.3
126.09169	1.8
128.06212	2.9
129.06961	7.4
129.38564	1.3
131.04892	3.4
131.08540	2.5
133.02850	5.8
133.10092	1.6
137.05962	100.0
143.04919	2.6
144.05702	2.7
145.06493	2.0
145.10104	2.7
147.04410	2.4
147.07977	2.0
147.11813	1.5
149.02399	1.5
149.05959	4.2
151.03903	3.3
151.07561	5.9
153.05420	2.0
157.06476	5.6
160.05237	5.0
161.05957	2.6
163.07541	3.1
165.05467	4.0
167.06961	1.7
168.05774	1.7
172.03911	1.6
172.05249	3.7
174.06802	7.5
175.07507	16.0
177.05460	7.7
177.09105	3.2
179.06978	5.1
182.15401	14.7
187.07524	26.9
188.08038	1.4
189.09056	11.7
189.58122	1.4
190.07610	1.6
191.08578	4.0
193.10045	1.6
196.05209	4.7
197.05821	2.1
199.07588	4.0
202.07787	3.7
203.08517	12.7
204.66536	1.7
205.06511	3.8
205.08531	3.0
209.16478	2.1
210.14877	12.7
211.07547	14.6
212.04640	2.6
213.05539	2.9
217.08591	11.9
218.66232	2.0
219.08057	8.3
220.08794	6.5
221.09462	2.2
225.05501	3.2
227.06973	15.9
228.07674	1.7
231.08015	13.1
232.08861	3.9
233.05919	1.8
234.06898	1.6
235.07523	2.4
239.06984	15.6
240.07738	11.3
241.08524	1.7
247.07581	6.3
248.08278	21.0
249.08954	4.0
251.10764	3.8
254.09334	2.1
255.06532	8.8
256.07281	7.9
259.07492	6.2
260.08237	3.2
261.09152	3.6
263.07404	2.5
263.10629	17.7
264.07983	3.1
265.08554	7.3
267.10089	2.1
268.07327	6.3
268.21487	5.5
270.08810	22.3
271.09616	37.4
271.12479	1.8
276.07800	11.2
277.08612	5.6
279.10141	10.4
281.08142	1.4
281.11780	3.9
283.09677	11.9
290.09320	1.6
291.10126	48.0
292.10776	6.6
293.08038	5.7
295.09711	3.1
295.13452	1.6
296.10437	6.3
297.11185	4.2
308.10422	6.1
309.11240	5.3
311.12793	8.1
323.12747	34.0
323.16461	1.2
326.28189	2.5
341.13861	23.3
341.20706	9.4
341.24768	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.84867	1.6
53.45718	1.8
55.01450	1.5
55.01866	2.5
55.05499	2.2
56.96569	1.6
61.25006	1.7
65.03925	2.6
67.05486	3.9
69.03433	2.1
69.07065	2.1
69.79453	1.5
69.90121	10.6
70.28479	1.6
71.04970	5.5
79.05479	2.9
81.07005	8.8
85.06550	1.9
91.05481	5.2
93.07050	2.9
94.04150	1.9
95.04953	2.6
95.08598	5.2
98.20692	2.0
100.11258	2.5
103.05469	3.5
105.07014	4.9
107.04940	22.8
107.08573	3.3
109.06514	2.6
109.10126	3.0
111.04406	2.6
111.18192	1.6
114.09142	2.3
115.05442	4.3
117.07030	2.5
119.04934	3.6
119.08588	2.8
121.10122	4.2
121.75962	1.9
122.03649	9.3
123.11721	3.6
125.05985	2.7
129.07013	8.2
131.04909	6.7
131.08588	2.6
133.02818	5.1
133.06476	2.0
133.10048	1.7
136.71211	2.0
137.02342	7.4
137.05962	100.0
138.06351	2.3
144.05685	2.2
145.06412	2.9
146.03590	1.7
147.04388	3.0
149.05986	2.7
151.03908	3.9
151.07556	5.7
153.01848	3.0
157.06468	5.2
160.05128	2.5
161.06026	4.2
163.07622	2.6
165.05473	3.8
172.05203	3.7
174.06770	6.0
175.07530	24.9
177.05487	6.3
177.09203	2.7
179.07045	4.0
187.07535	26.0
188.43573	1.7
189.05511	2.3
189.09077	9.7
191.06636	1.5
191.08540	5.1
196.05231	4.2
197.06039	2.9
199.07533	6.3
202.07808	2.8
203.08545	12.1
205.06546	2.0
205.08472	2.3
208.08807	1.9
211.07527	16.8
213.05484	3.5
217.08517	13.4
219.08131	11.0
220.08763	6.7
221.09642	2.4
222.06744	2.9
227.06963	12.3
228.07814	2.7
231.08057	14.0
232.08820	4.2
233.05934	2.6
234.06798	1.9
235.07814	2.4
235.11235	1.7
236.08253	2.8
239.07048	9.6
240.07751	10.0
241.04987	3.2
245.04492	2.2
247.07553	6.2
248.08276	21.1
249.09210	2.8
250.06096	2.1
251.07027	2.0
251.10733	5.8
253.08952	1.9
255.06471	9.4
256.07288	8.1
259.07523	5.8
261.09067	3.1
263.10703	19.7
265.08478	8.4
267.06693	1.9
268.07391	3.8
270.08853	21.0
271.09586	35.0
274.04739	2.8
276.07816	7.8
277.08594	4.3
279.07388	1.8
279.10101	11.5
280.10754	2.7
282.08542	1.8
283.09625	10.7
287.05490	4.1
291.10117	49.8
292.10709	4.7
293.08142	3.3
295.09604	3.7
296.10449	4.3
297.03967	3.9
297.11169	5.8
301.03448	2.6
302.04019	9.2
308.10529	7.2
309.11127	10.4
311.12756	13.8
313.14398	2.6
315.04956	6.5
323.12735	32.7
340.99594	2.1
341.06570	6.1
341.13812	41.0
341.26270	2.1
342.06091	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19257	0.6
53.63200	0.6
56.13494	0.6
57.02076	0.6
69.00445	0.6
69.74954	4.3
81.70538	0.6
83.04925	0.8
83.12347	0.7
85.02888	1.2
91.05810	1.3
94.04147	0.8
98.20783	0.8
110.07156	4.8
111.04424	1.0
123.04378	0.9
135.04407	0.6
139.03874	3.0
140.04190	1.6
150.03072	2.4
163.03923	3.2
169.54251	0.6
179.03351	0.7
180.06296	100.0
181.06641	2.1
193.10835	0.9
210.13530	1.9
228.10187	0.7
288.05954	1.3
306.07016	0.8
323.28369	0.7
339.75668	0.7
342.11597	25.1
343.11844	1.5
343.99625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
51.41842	2.8
55.01856	4.8
65.03919	7.6
68.99780	3.2
69.03422	3.9
69.07063	3.6
70.06567	5.3
70.30729	6.1
70.31096	11.9
70.63287	2.7
73.04778	2.9
79.05474	13.1
81.07059	6.1
85.02888	6.2
86.09692	4.1
89.95777	2.5
91.05461	25.1
93.06993	3.3
94.04128	5.1
95.04955	8.3
98.97617	3.1
102.04643	3.6
103.05443	24.3
103.10480	3.0
105.03375	3.6
105.06993	16.0
106.04150	3.2
107.04934	32.5
107.08572	7.7
109.06457	3.3
115.05436	14.2
117.03399	2.8
117.06995	8.2
119.04926	6.3
121.06490	9.0
122.03622	8.0
122.07272	8.0
123.04441	3.7
123.07991	3.4
129.06978	4.0
130.04143	6.6
131.04910	23.0
132.05609	3.0
133.06436	11.6
135.04356	6.3
135.08031	12.7
137.05963	93.9
138.06294	3.6
141.06914	3.6
145.06454	5.1
146.03609	15.2
147.04379	17.6
148.03905	17.4
148.08737	3.0
149.05951	16.9
151.03879	7.0
151.07545	14.9
153.05420	14.4
157.06444	3.3
160.05104	4.6
160.76509	3.2
161.05952	68.2
162.06705	21.1
163.07516	49.3
163.11172	5.6
166.04988	9.4
166.07822	3.8
169.06425	6.4
173.09572	5.8
175.07529	59.2
177.05371	3.4
177.09030	6.9
179.07065	3.6
179.08473	6.0
181.04910	11.7
181.08484	12.0
181.12250	4.1
183.07942	3.4
190.05000	6.3
190.07698	7.1
191.03362	4.8
193.06358	4.1
194.07314	6.5
195.08060	4.8
201.09097	6.3
205.06474	7.5
205.10149	7.9
206.05063	3.0
206.07043	3.9
207.08058	10.1
209.09636	5.7
211.07588	3.9
218.07259	7.7
219.08035	4.9
219.10097	11.5
221.06015	9.9
221.09491	6.4
222.06688	6.1
223.07399	4.2
224.08240	7.6
225.09120	4.0
232.08809	3.4
233.05878	4.5
233.09546	10.9
234.06708	6.6
235.07462	7.7
237.05383	4.0
237.09009	12.0
239.07080	3.7
250.06136	5.2
250.09888	7.1
251.06871	5.9
251.10591	4.5
253.08612	4.8
254.09270	7.6
255.11122	3.2
261.09094	10.7
262.09842	3.5
263.06970	3.7
264.07614	6.2
265.08545	25.2
265.12170	9.4
266.09299	3.1
267.10095	16.8
269.08087	9.8
278.09189	3.3
279.10202	3.4
281.08035	3.6
282.08853	12.6
283.09924	5.0
284.10297	12.7
293.11649	26.6
294.12296	4.1
295.09534	5.2
297.08096	6.0
297.11185	55.0
297.14786	11.5
298.11288	4.8
299.12717	33.9
301.11749	11.5
303.04932	4.4
310.11847	6.8
311.09094	6.0
311.12726	100.0
312.13113	6.1
313.14432	3.1
319.65488	3.1
325.10950	4.8
325.14322	26.7
343.11670	4.9
343.15381	56.5
344.15680	3.7
362.34470	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	343.1533
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
55.01855	2.2
70.66918	2.1
70.67249	3.7
75.08208	1.7
79.05483	2.5
80.02052	1.8
81.07031	8.9
88.42114	2.0
91.05446	5.3
95.04924	2.5
103.05457	12.5
103.26515	1.6
105.07006	9.7
107.04935	9.1
115.05437	6.8
116.01698	3.0
117.07010	3.2
119.04943	2.2
122.03645	2.5
123.04411	2.6
128.06201	2.4
131.04903	21.5
132.02086	1.7
133.06464	5.2
135.04398	2.5
135.08028	2.6
137.05954	45.1
141.00711	1.7
141.06993	7.3
142.03174	5.4
143.08554	2.5
144.01077	2.3
145.06424	3.9
146.03633	17.8
147.04405	5.0
147.08034	5.2
149.05960	15.5
151.03871	5.4
151.07521	14.5
153.01752	1.9
155.04991	2.1
158.07248	5.1
160.05212	3.0
161.05963	100.0
162.02185	6.5
162.06319	2.3
163.03917	3.4
163.07532	38.6
165.06895	4.7
169.06465	5.5
170.02637	3.0
170.07312	1.8
173.09575	6.5
174.06688	3.2
175.07527	67.3
176.07925	2.3
177.05464	3.3
177.06857	2.1
177.09109	4.2
178.07715	3.6
179.08545	4.0
181.06523	4.4
181.08589	2.0
189.07024	2.3
190.07758	8.0
191.03358	18.4
191.08556	2.3
193.06470	3.7
194.07260	11.7
195.07858	3.1
201.09120	13.8
205.06473	8.3
205.10152	10.2
206.07320	2.3
207.08034	11.7
209.05962	2.7
209.09621	6.1
210.06921	2.0
211.07491	5.6
213.08969	1.9
215.08519	4.1
218.07144	4.7
219.08069	4.1
219.10109	36.0
220.10739	2.3
221.05991	4.8
221.09567	4.4
222.06712	10.6
222.10390	4.2
223.07481	3.9
224.08261	6.5
232.08958	3.8
233.09602	19.6
234.06714	5.0
234.10265	2.6
235.07524	11.4
236.08263	5.2
237.05389	4.5
237.09023	16.9
239.07085	3.6
239.10704	5.9
241.08647	5.2
247.07408	2.9
249.05487	3.7
249.09050	4.1
250.06265	10.8
250.09799	9.7
251.06978	4.1
251.10571	2.9
252.07794	5.4
253.08614	5.9
254.09311	5.3
256.10565	1.9
261.09036	13.3
262.09875	5.1
263.07031	5.6
264.07724	4.7
265.08569	40.6
265.12137	16.7
266.09174	3.6
267.10190	15.2
269.08099	14.9
269.11676	2.1
277.08395	3.2
278.09299	12.4
279.10095	6.0
281.08090	4.9
282.08875	18.1
282.11890	3.2
283.09341	2.4
283.13208	2.1
284.10373	19.3
293.11697	40.1
294.12448	5.9
295.09537	5.2
296.10373	3.7
297.11240	72.3
297.14737	14.0
298.11533	3.9
299.12708	34.1
310.11945	8.6
311.12701	44.5
312.13019	3.5
315.15921	5.2
325.14279	41.6
326.14850	2.4
343.04086	2.2
343.08261	3.4
343.15338	81.6
344.15335	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	343.1533
Annotation	Xestosaprol B
Peak:m/z	Relative Intensity
55.01853	4.3
69.21971	34.3
70.49075	2.3
79.05485	4.1
81.07067	14.4
89.03899	4.2
91.05456	5.0
98.20788	7.0
103.05466	8.7
105.07020	12.0
107.04955	10.2
109.06515	4.0
110.62859	2.8
115.05437	7.9
116.01659	5.5
117.07014	4.4
119.04954	3.7
121.06492	3.0
122.03637	6.0
123.04433	6.8
130.03008	2.4
131.04903	16.3
132.05716	4.0
133.06514	4.6
137.05962	54.3
141.07021	5.0
142.03238	10.1
145.06401	5.6
146.03630	18.1
147.04399	5.8
147.07999	3.4
149.05980	22.1
151.03909	8.0
151.07562	12.5
158.07237	6.6
159.04433	3.4
160.05240	4.8
161.04623	5.2
161.05963	100.0
162.02231	7.5
163.03899	6.6
163.07530	34.2
165.05420	4.4
167.08672	3.9
169.06438	5.7
170.02727	6.4
173.09641	11.0
175.07524	66.2
177.06912	2.9
177.09105	6.4
179.08496	4.6
190.07779	6.6
191.03374	34.6
194.07254	10.8
195.07999	2.9
201.09105	14.5
203.08583	4.1
205.06525	6.8
205.10078	10.9
206.07153	3.4
207.08064	10.0
208.08752	4.8
209.09645	5.3
211.07764	3.2
215.08582	4.5
218.07314	6.2
219.08099	6.3
219.10062	27.4
221.06067	8.8
221.09569	6.6
222.06697	9.2
222.10370	5.9
223.07422	3.8
224.08243	10.3
232.08784	5.8
233.05965	4.8
233.09558	21.5
234.06705	7.1
235.07484	12.0
236.08269	6.0
237.09105	18.5
237.12801	4.8
239.06749	3.6
239.10655	13.1
241.08524	6.4
247.07581	4.4
249.08984	3.3
250.06314	8.4
250.09959	14.7
251.06969	8.0
251.37848	2.9
252.07886	3.7
253.08656	6.1
254.09381	7.7
260.08328	3.6
261.09131	15.3
262.09836	7.0
263.07047	6.8
264.07858	6.7
265.08585	49.0
265.12213	14.6
266.09225	7.3
267.10214	17.3
269.08167	13.4
277.08521	3.5
278.09415	11.7
279.10104	7.5
281.08231	3.3
282.08948	17.2
283.09872	3.5
283.13254	5.3
284.10324	23.1
293.11636	39.3
294.12274	8.0
295.09576	8.5
296.10266	3.8
297.11261	87.5
297.14764	14.7
299.12775	37.1
310.11993	12.6
311.12714	36.8
312.13367	3.3
315.15952	6.6
325.14294	42.3
326.14642	3.1
343.08347	6.5
343.11469	5.5
343.15347	84.5
344.15686	5.8
344.46048	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	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
52.44466	1.4
55.01854	2.7
55.05498	1.7
57.03439	1.7
65.03928	1.3
67.05482	3.1
68.68241	1.3
68.89804	1.3
68.99774	1.9
69.03410	2.9
69.07026	1.8
70.78654	2.3
70.79015	3.3
71.02922	1.2
72.90079	1.6
73.80254	1.2
78.60559	1.3
79.05473	7.3
81.07050	7.6
83.04948	2.8
84.04486	2.4
85.02856	2.0
91.05451	11.1
92.05778	1.4
93.07027	5.9
95.04946	2.5
95.08587	4.6
97.02894	1.7
100.11222	1.5
103.05460	16.9
105.07024	12.6
107.04935	8.9
107.08585	3.1
109.06483	3.6
111.04456	2.2
115.05436	5.9
117.03328	2.5
117.06990	1.7
119.04898	4.2
119.08557	2.1
121.06517	2.9
121.10136	3.6
122.03625	2.2
123.04414	10.5
123.11743	2.2
128.06207	1.8
129.06969	2.1
130.05005	3.2
131.04910	19.1
133.06502	8.9
135.04379	7.1
135.07999	2.1
135.11600	1.7
137.02296	1.7
137.05960	41.4
139.03888	2.3
141.06981	3.2
142.05026	2.1
143.08524	1.4
145.06516	2.6
145.10077	1.8
146.03607	14.2
147.04364	10.3
149.05991	4.7
151.03912	7.6
151.07530	10.2
153.06975	2.7
159.08046	1.6
161.05963	100.0
162.06509	3.2
163.03889	6.4
163.07529	44.6
163.11189	2.8
165.05615	3.0
165.07028	4.7
166.07776	2.8
167.07112	2.6
169.06396	1.6
173.09602	2.0
174.06752	2.2
175.04021	1.7
175.07538	49.4
176.07861	1.6
177.09087	1.9
178.07782	3.3
179.03424	2.3
179.08505	6.7
181.06465	4.6
181.08604	2.9
181.10173	1.5
181.12180	1.8
189.07001	4.2
189.09093	5.1
190.07715	5.0
191.03368	45.8
191.05040	3.1
192.03867	2.8
194.07210	10.6
195.07974	2.6
196.08755	2.3
201.09058	4.2
203.03462	2.0
203.08563	3.0
205.06517	8.1
205.10020	11.8
206.07266	2.3
207.08028	8.2
208.08746	2.1
209.05952	1.7
209.09549	3.3
210.11183	2.5
211.07608	2.3
214.44669	1.6
215.08528	4.9
218.07207	5.7
219.08064	3.9
219.10133	2.5
221.04222	1.7
221.06030	5.7
222.06802	11.2
222.10204	2.0
223.07440	3.9
224.08318	5.4
225.09039	2.1
227.13898	6.7
228.12392	1.6
231.07904	1.8
232.08818	2.6
233.06187	2.3
233.09584	16.3
234.06735	3.9
234.10265	3.0
235.07520	9.5
236.08214	3.5
237.05411	4.6
237.09029	16.9
238.09737	1.7
239.06993	3.9
239.10744	6.8
241.08627	2.5
243.08395	1.7
247.07487	3.2
249.05481	3.2
249.09097	5.8
250.06194	11.1
250.09856	5.9
251.07011	3.7
251.10559	2.4
252.07770	6.1
253.08595	4.2
254.09210	2.7
260.08304	3.0
261.09180	11.7
262.09702	4.4
263.06943	4.9
264.07809	5.2
265.08569	37.8
265.12140	10.2
266.09122	4.5
267.07248	2.1
267.10150	14.2
268.10870	2.4
269.07974	9.4
277.08560	2.7
278.09369	11.1
279.10172	6.2
281.07913	3.2
282.08789	6.7
283.10199	1.8
283.13345	3.6
284.10416	11.2
293.11685	28.7
294.12326	5.0
295.09515	5.3
296.10379	2.1
297.07947	1.1
297.11206	31.5
297.14578	1.7
299.12732	19.2
310.11990	3.7
311.12738	66.3
312.13190	4.9
325.14197	17.0
343.08582	11.1
343.11615	3.8
343.15366	48.1
344.15848	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	343.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13422	2.3
53.03942	6.5
55.01862	8.9
55.05503	17.4
57.03432	4.7
57.07087	7.1
59.04995	3.4
60.24349	3.2
60.95314	2.6
65.03914	4.2
67.05497	29.6
69.03427	11.4
69.07066	8.8
69.60336	23.2
71.04999	20.6
79.05489	22.6
81.03423	5.1
81.07056	31.3
81.59209	2.9
83.04974	3.3
85.06550	5.3
91.05473	39.6
91.06004	3.6
93.07035	91.1
94.07353	3.1
95.04957	64.4
95.08601	95.5
97.06521	18.0
103.05458	4.3
105.07021	92.9
107.08588	64.0
109.06535	22.9
109.10162	9.0
111.04438	2.6
115.05463	8.7
117.07005	36.5
117.97609	2.9
119.08568	39.5
121.06484	21.2
121.10141	20.3
121.16503	2.9
122.07210	3.0
123.08070	34.9
128.06232	4.6
129.07040	7.8
130.07790	22.2
131.08572	16.5
133.06526	7.9
133.10139	20.7
135.08018	24.7
135.11707	18.0
136.53966	2.9
137.09612	5.8
142.07739	5.4
143.08563	15.2
144.09267	3.7
145.10103	89.3
146.10513	5.3
147.08072	15.5
147.11667	5.8
149.09648	7.2
151.07521	48.5
151.08644	4.0
153.09135	4.2
155.08519	6.1
156.09319	3.9
157.10156	11.8
159.08041	4.1
159.11710	11.7
161.09586	15.6
161.13347	4.8
163.07538	3.8
163.11166	81.4
165.09125	22.9
169.10181	5.5
171.11652	6.0
173.09628	5.4
173.13287	8.1
175.11131	5.2
177.09094	9.1
179.07021	8.8
179.08510	4.0
181.10147	4.2
181.12280	2.8
183.11731	5.9
185.13203	8.3
187.11186	8.4
189.12781	10.2
191.10730	3.3
197.13333	7.4
200.11823	3.3
201.12708	3.1
203.14301	14.8
207.10023	3.6
207.11835	4.1
207.13741	6.2
209.13344	2.9
209.15443	3.7
213.12785	4.1
215.14259	7.1
221.13382	4.9
221.15300	31.1
223.14796	4.4
225.12741	3.9
225.16350	3.1
233.15210	2.9
240.23357	3.1
241.15976	4.5
263.16498	9.2
269.15469	5.5
286.19366	7.1
307.20560	4.5
318.97897	3.0
325.21725	12.5
343.22745	100.0
344.23013	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	4.9
55.01863	6.3
55.05507	20.6
57.03424	8.6
57.07064	10.9
59.04994	7.5
65.03928	2.8
67.05500	33.4
69.03426	16.6
69.07059	8.8
70.63497	6.3
71.04982	26.8
79.05482	27.1
81.03429	4.8
81.07042	32.6
83.04977	6.0
85.06519	3.8
91.05467	45.8
93.07035	88.2
95.04350	2.9
95.04962	73.3
95.08596	98.6
97.06515	20.6
103.05479	4.2
105.07019	99.1
105.81686	2.3
107.04934	6.0
107.08587	67.0
109.06518	20.8
109.10161	6.7
109.21044	2.2
111.08108	3.5
115.05441	8.4
116.06225	2.4
117.07005	40.0
119.08568	36.1
121.06496	17.2
121.10114	24.9
122.07311	3.0
123.08052	30.8
125.05978	2.5
128.06210	5.2
129.06984	9.9
130.07785	24.3
131.08569	12.9
133.06483	8.8
133.10130	23.7
135.08046	32.0
135.11671	18.4
137.05995	2.8
137.09608	7.4
141.07043	2.0
142.07748	4.7
143.08514	11.5
145.06441	3.9
145.10107	100.0
147.08058	17.5
147.11615	4.7
149.09601	6.3
151.07523	50.2
153.09109	5.3
155.08569	5.6
156.09360	4.6
157.10124	11.7
159.08070	4.1
159.11732	10.0
160.08739	2.3
161.09665	10.4
161.13242	3.6
163.07544	3.1
163.09798	4.6
163.11168	83.6
165.09099	22.7
167.08665	3.0
169.10117	4.4
171.11691	8.3
173.09579	4.1
173.13293	5.6
175.11240	5.9
177.09111	7.7
179.07002	6.2
179.08562	2.5
179.10635	3.3
181.10126	3.4
181.12210	5.2
183.11697	4.3
185.09705	3.2
185.13275	4.8
187.11198	7.9
187.14899	2.9
189.12729	14.8
191.10690	2.7
191.14323	5.8
192.09329	2.7
194.10947	2.1
195.11739	2.8
197.13258	6.2
199.11226	2.8
201.12752	3.8
203.14296	13.6
207.10074	2.2
207.11894	3.0
207.13809	7.0
209.13336	4.4
209.15327	4.6
215.14388	3.1
217.12212	2.8
221.13286	3.7
221.15347	31.5
225.12804	2.8
227.14185	2.7
233.15324	3.2
241.15941	3.3
245.13196	2.8
251.14339	2.5
257.13101	2.6
263.16367	11.5
269.15390	4.9
271.14597	2.9
273.16199	2.3
274.19449	3.6
286.19177	7.7
287.16724	2.6
301.15610	2.1
325.21545	8.3
343.22916	85.0
344.23166	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.69929	2.4
51.79827	2.1
53.03933	4.1
55.01857	8.2
55.05509	18.9
57.03420	7.8
57.07058	7.0
59.04980	8.5
67.05218	2.9
67.05502	30.9
69.03406	9.7
69.07047	10.8
69.21980	16.0
69.22411	10.4
71.04981	22.3
75.79097	2.0
79.05481	31.3
81.03387	4.6
81.07053	34.8
83.04958	8.5
83.08598	3.5
85.06528	6.4
91.05473	36.4
93.06458	3.8
93.07032	75.0
95.04959	65.4
95.08596	95.0
97.06535	19.4
103.05473	4.3
105.07017	98.9
107.04966	4.3
107.08581	60.5
109.06502	18.0
109.10126	6.3
111.08019	2.7
115.05387	4.9
117.07004	34.7
119.08569	30.3
121.06487	18.1
121.10131	17.9
122.07279	2.6
123.08053	37.1
125.05947	3.1
128.06189	5.6
129.06995	7.8
130.07773	18.4
131.08540	11.6
133.06453	7.4
133.10101	19.2
135.08031	31.3
135.11638	17.8
137.05984	2.5
137.09581	6.8
138.73720	2.2
142.07742	4.5
143.08566	11.7
145.10112	95.0
147.08069	15.8
147.11649	5.5
149.09616	4.1
151.07521	55.5
153.09062	3.9
155.08528	5.8
156.09261	3.8
157.10074	11.7
159.08032	6.9
159.11696	10.9
161.09604	8.2
161.13231	2.7
163.11168	72.0
163.12511	4.9
165.09116	19.0
169.10184	4.4
171.11694	7.4
173.09550	5.4
173.13202	4.2
175.11151	6.6
177.09090	6.5
179.06989	5.8
181.10126	3.7
181.12212	4.1
182.10989	2.4
183.11745	3.4
185.13155	3.7
187.11147	4.6
189.09061	3.3
189.12712	14.0
191.14377	4.4
197.13326	5.2
203.10632	3.4
203.14320	11.8
207.10091	2.5
207.13817	6.3
209.13341	2.9
209.15350	3.3
221.13326	4.3
221.15337	39.9
223.14706	3.6
233.15440	5.6
240.23172	6.7
241.15791	4.4
243.13673	2.7
247.16917	2.5
263.16440	7.4
269.15353	4.2
286.19205	5.3
287.16226	2.9
304.97589	2.4
325.21576	10.7
343.22620	100.0
343.26791	5.0
344.23196	4.3
367.28278	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	5.2
55.01853	7.4
55.05501	20.2
57.03428	11.0
57.07063	12.4
58.46263	2.2
59.04995	6.6
60.80935	2.1
67.05498	30.0
69.03413	8.3
69.07048	6.4
69.97731	5.4
69.98127	5.1
71.04987	23.6
79.05472	23.7
81.03401	5.3
81.07051	31.9
82.80092	2.3
83.05004	4.7
85.06538	4.6
91.05460	40.2
93.07034	79.3
95.04957	69.0
95.05545	5.0
95.08593	100.0
97.06518	18.2
103.05464	4.0
105.07019	89.1
107.04945	3.4
107.08573	63.4
109.06509	17.6
109.10129	3.3
109.78571	2.0
115.05436	9.2
116.06235	2.7
116.67319	2.3
117.07001	31.8
119.08572	30.3
121.06487	18.9
121.10136	19.5
122.07262	3.5
123.08056	22.4
123.11783	2.4
124.34840	2.4
125.05978	3.7
128.06178	3.1
129.06998	5.6
130.07787	17.3
130.92860	2.4
131.08569	11.1
133.06473	6.9
133.10132	15.2
135.08032	31.0
135.11659	14.6
137.09608	5.8
142.07892	3.9
143.08533	14.7
144.09282	2.9
145.06433	3.5
145.10104	95.0
146.10391	2.7
147.08028	14.9
147.11699	5.4
149.09636	7.1
151.07516	42.6
153.09105	6.9
155.08525	4.3
157.10121	12.9
159.08043	5.7
159.11673	9.4
161.09621	10.5
161.13200	4.9
163.11165	83.8
164.11520	2.6
165.09082	24.1
169.10161	3.9
171.11644	7.4
173.09581	5.7
173.13177	6.5
175.11113	3.4
177.09087	7.0
179.07034	6.7
183.11761	2.7
187.11150	5.4
187.14726	2.6
189.12712	11.1
191.10550	3.6
191.14270	3.8
197.13220	5.6
199.14702	3.4
201.12674	3.2
203.14311	10.7
207.10162	4.8
207.12000	2.6
207.13832	8.6
209.13322	4.3
209.15195	4.3
210.14297	2.8
213.12752	3.1
215.14328	7.4
217.12291	2.6
221.15323	33.5
227.14230	3.4
233.15306	4.1
263.16315	13.9
269.15442	4.1
274.19080	3.5
286.19211	5.4
287.16275	4.1
287.19913	4.2
325.21622	7.8
342.90878	2.6
343.22653	98.0
344.23099	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	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51248	0.4
57.03426	1.5
61.02909	1.5
65.03934	0.7
69.03419	3.4
70.83646	0.4
71.04964	0.5
71.07894	1.2
81.03405	1.2
85.02893	14.5
91.03971	1.0
91.05453	4.5
95.04949	0.4
97.02876	3.7
97.87617	0.4
99.04437	0.6
109.02856	2.0
119.04930	18.5
123.04393	2.9
127.03907	2.8
145.04941	2.5
147.04385	100.0
148.04707	1.5
153.01897	0.7
165.05453	43.8
180.08630	0.8
182.08072	0.8
202.01607	0.4
204.36076	0.5
309.09674	0.5
315.04898	2.0
330.07281	0.7
333.19138	0.4
345.09634	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26335	0.6
54.27285	0.7
54.92954	0.6
57.03425	0.9
61.02898	1.8
66.52811	0.6
67.44538	0.6
67.65963	0.7
69.03410	2.8
69.72847	3.8
69.73257	1.3
73.02901	0.8
81.03409	1.6
85.02895	17.1
91.05492	4.2
91.35015	0.6
97.02861	3.2
99.04369	0.6
102.51605	0.6
109.02856	2.5
119.04935	17.6
123.04402	2.2
127.03913	2.8
134.45749	0.6
145.04922	3.3
147.04395	100.0
165.05461	57.5
165.07484	0.9
166.05780	0.9
180.08691	1.2
211.18564	0.7
241.79117	0.6
248.48241	0.7
257.70517	0.6
264.74927	0.7
315.04980	0.8
345.09775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0964
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
67.52049	0.6
70.72346	0.8
70.72674	1.1
85.43063	0.5
90.83719	0.6
98.97570	1.3
104.99259	1.1
116.98598	1.1
123.04367	0.6
134.99655	1.3
135.04370	0.6
153.01817	2.4
163.03876	2.1
167.07053	0.7
170.02193	0.9
174.48108	0.6
178.02638	1.0
178.06235	4.8
179.03430	0.8
180.88806	0.9
206.92592	0.9
213.05453	1.0
216.04181	3.9
217.04886	1.5
220.90376	1.1
222.89873	3.1
224.93808	0.6
227.03378	1.0
228.04161	0.8
231.02736	1.0
231.06490	2.2
238.91441	2.4
239.90225	0.6
240.90907	6.4
241.04932	2.2
243.06490	1.6
244.03638	3.1
255.02866	14.2
259.06042	3.2
269.04413	3.4
271.06274	0.6
272.03180	1.4
277.92471	0.6
279.91843	1.5
280.91415	0.8
281.04440	0.9
281.91150	5.1
283.02289	2.5
283.05731	1.0
284.02924	1.3
287.05457	11.0
297.03754	2.7
299.05569	2.0
300.02634	5.1
301.07159	0.7
311.05466	0.9
312.06140	0.8
313.07178	1.3
315.04950	62.0
315.25223	0.6
316.05267	2.9
322.91452	5.2
329.06329	1.3
330.07312	17.7
331.07373	0.9
338.87744	0.9
345.09647	100.0
345.93076	1.1
346.09949	3.8
354.53476	0.6
362.87814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01849	2.6
55.05487	3.7
56.82613	1.3
56.96543	1.5
60.14484	1.1
61.55630	1.0
65.03928	5.4
66.14678	1.1
67.05486	1.4
68.02613	1.5
69.07052	3.9
70.12634	4.3
70.13052	2.3
72.63828	1.2
79.05457	2.0
81.07055	6.1
83.04988	1.5
83.08595	2.7
85.02906	2.2
90.03847	1.1
91.05476	2.7
93.03359	1.9
93.07010	1.5
95.08578	5.9
96.02095	6.6
101.28715	1.3
105.06933	1.2
107.01283	3.3
107.08579	2.0
109.10127	2.0
111.03677	1.6
111.04427	27.7
113.36362	1.1
115.05401	1.7
117.06952	1.5
121.10101	1.5
123.04401	2.9
123.11683	2.2
129.06934	3.9
133.46527	1.0
135.04381	1.1
137.02374	1.2
137.05936	3.4
139.03859	18.3
139.59477	1.1
141.06952	2.4
143.04810	1.7
144.05667	3.1
145.06438	5.2
147.02754	1.1
152.06120	1.7
153.01785	2.1
153.05418	1.9
153.06953	4.7
155.08496	1.8
157.06467	4.6
159.08064	7.6
160.08786	3.8
161.05946	6.8
161.09595	3.8
163.03777	1.6
165.06963	4.8
167.03386	8.2
167.08511	2.5
168.05629	5.9
169.06439	3.7
173.05952	1.4
173.15553	1.2
175.07434	1.3
177.05414	1.8
178.06198	5.3
178.07751	4.0
179.03352	1.9
179.08502	5.9
181.06424	9.4
182.07184	3.6
183.04350	1.3
183.08014	4.3
185.05946	6.6
185.09531	2.5
187.07486	4.0
188.08325	8.9
189.08955	2.2
193.06413	1.4
195.08005	7.0
196.05190	3.4
196.08817	3.5
197.05949	6.3
197.09543	4.8
198.06744	20.3
199.07503	3.9
200.04657	2.0
200.08298	2.8
206.07242	2.2
207.04391	1.1
207.08081	7.6
208.08740	2.8
209.05914	5.5
210.06715	3.9
210.10367	1.4
211.07524	12.2
211.11111	5.2
212.08295	2.6
213.05449	10.1
213.09119	5.5
214.06245	1.7
216.04128	4.4
221.06055	1.4
221.09615	3.4
223.07532	6.4
224.04657	1.8
224.08234	8.2
225.05409	4.4
225.08992	5.0
226.06245	6.9
226.08119	1.2
227.03333	2.3
227.06938	5.3
227.10561	2.8
228.04036	1.8
228.07718	5.1
231.06520	3.5
234.06671	1.5
235.07509	5.9
237.05391	2.9
237.08952	2.1
238.06238	2.9
238.09842	10.9
239.06978	24.8
239.10617	16.4
240.07774	11.2
241.04964	7.3
241.08542	14.7
243.06458	18.7
243.10197	2.5
244.03613	3.9
244.06929	1.3
249.09053	2.8
251.06967	2.9
252.07785	4.2
253.05286	2.6
253.08531	13.0
253.12189	7.2
254.05688	1.7
255.02838	16.4
255.06470	4.3
256.07245	19.0
256.10211	1.5
256.10901	1.5
257.08020	1.6
258.08868	3.4
259.06030	4.3
265.08530	2.3
267.06531	3.5
267.10110	28.3
268.07260	23.3
268.10724	4.1
269.04486	4.4
269.08020	30.6
270.08698	1.6
271.06042	2.8
271.09570	5.9
271.13110	6.9
272.03299	1.7
280.07272	1.9
281.08029	3.6
281.11575	4.5
283.02359	3.2
283.05847	1.8
283.09399	2.6
284.06763	4.3
284.10388	10.2
285.11136	3.1
286.08371	8.2
287.05505	12.4
295.09634	10.4
296.10391	11.1
297.03897	3.2
299.09164	100.0
299.12708	18.2
300.02487	4.0
300.09415	4.5
304.47229	1.4
309.11102	3.0
312.09836	4.5
313.07083	2.5
313.10617	20.2
315.04929	69.7
316.05331	5.7
317.13806	2.8
327.12210	76.3
328.12546	4.5
329.06641	1.6
330.07275	18.5
330.10849	2.4
331.07733	1.9
345.09589	99.6
345.13339	36.1
346.09921	9.4
346.13586	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05487	1.9
55.19460	0.6
65.03939	0.9
67.05494	0.7
69.03428	1.1
69.07051	1.0
71.15076	1.4
78.66486	0.7
79.05492	1.2
81.07056	1.5
83.04967	0.7
83.08616	1.2
91.05462	1.3
93.07047	1.1
95.04967	1.2
95.08581	0.9
96.02080	3.6
100.11237	2.6
103.05425	0.7
105.07021	1.1
107.04961	1.5
109.10143	0.9
111.04420	9.3
112.52349	0.6
117.07039	0.6
121.06435	0.8
121.10095	0.8
123.04424	1.9
130.61023	0.7
134.03754	0.7
137.02351	0.7
137.05945	2.6
139.03885	1.7
141.11473	1.0
143.08539	0.7
147.04460	0.9
147.08025	0.9
148.05161	0.7
151.03944	0.9
151.07518	0.8
152.06184	0.7
153.01793	3.2
153.05475	1.2
153.06909	1.4
155.08426	0.8
156.05649	0.7
156.13863	0.8
157.06493	0.9
157.10176	0.7
159.08015	0.7
159.11655	0.8
161.05981	1.5
163.03877	2.6
165.05563	0.8
165.06952	2.3
167.03349	0.7
167.07028	1.2
167.08495	0.9
168.05695	0.7
169.06464	2.5
175.07545	1.5
178.06223	5.7
178.07784	2.3
179.08588	2.4
181.06425	3.5
182.07214	1.7
183.04390	1.5
183.08020	1.5
184.05199	0.9
184.13382	1.1
185.05965	1.9
187.07471	0.7
189.07034	1.0
193.06474	0.7
195.07999	3.4
197.05928	4.2
197.09563	0.8
198.06750	2.4
199.07463	1.3
200.04668	1.1
203.03545	0.7
205.06474	2.0
206.07288	2.9
207.04501	0.8
207.08080	3.5
208.05089	0.7
209.06036	1.5
209.09589	0.8
210.06746	3.2
210.14908	0.7
211.03856	0.7
211.07494	6.2
212.08269	4.1
213.05457	2.5
213.08942	1.0
215.06953	1.6
216.04144	4.1
217.04909	1.6
218.07184	0.7
219.08101	1.0
221.05989	1.8
221.09612	2.7
222.06743	0.8
223.07478	4.2
224.08284	2.3
225.05464	4.7
225.09035	2.6
226.06276	2.4
227.03410	1.7
227.07028	2.6
228.04204	0.8
231.02966	0.8
231.06512	2.5
234.06752	3.4
235.07475	4.6
237.05476	2.1
237.09032	1.5
238.06137	1.0
238.09941	0.8
239.03333	0.7
239.07036	8.3
239.10736	2.8
240.07889	1.2
241.04842	2.9
241.08679	3.0
243.06493	5.5
244.03685	3.4
249.09152	4.9
250.06281	0.8
251.07018	6.8
252.04195	0.7
252.07764	3.6
253.04970	2.0
253.08582	12.6
253.11230	0.9
253.12358	0.8
254.05779	1.6
255.02863	14.2
255.06453	2.9
256.03564	0.8
256.07220	2.5
256.10974	3.7
257.08072	0.9
259.05972	3.7
259.09634	3.4
262.06171	1.3
263.07004	4.2
265.08551	1.8
267.06561	2.6
267.10132	10.4
268.03702	0.8
268.07047	0.6
269.04431	5.0
269.08075	11.0
270.05347	0.8
271.05988	4.7
271.09534	1.5
272.03204	1.5
277.08560	4.5
280.07288	1.5
281.08072	21.2
281.11255	1.6
283.02438	2.3
283.06052	3.5
283.09561	1.9
284.03482	1.4
284.06784	3.1
285.07660	0.8
285.11005	1.1
286.08395	5.8
287.05487	12.4
289.14401	1.4
295.09622	13.2
297.03925	2.3
297.07227	1.2
298.08209	0.9
299.05728	1.6
299.09082	5.9
299.12680	1.7
300.02548	5.3
312.06235	2.1
312.09933	6.0
313.07053	1.1
313.10593	8.9
315.04950	65.2
316.05341	2.3
327.12204	2.5
329.06598	0.9
330.07294	18.8
345.09656	100.0
345.13010	4.7
346.10004	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	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
54.69709	1.9
67.05495	16.6
69.03420	6.9
69.20542	18.1
69.20953	2.9
73.02919	2.3
79.05472	2.4
81.03413	2.9
81.07053	9.0
87.00368	1.8
91.05501	4.4
93.07015	4.5
94.04192	3.3
95.04987	4.7
95.08594	5.3
98.20774	3.0
101.18070	1.7
105.07019	2.3
107.04954	3.9
107.08542	3.0
109.06496	3.0
109.10131	34.9
111.04416	2.7
115.05478	2.2
119.08559	2.2
121.06491	4.1
122.03629	7.7
123.04418	2.0
125.05966	3.7
127.03864	3.3
132.21138	1.7
137.05966	91.9
137.09601	87.1
143.04916	3.1
146.03621	4.5
149.05957	11.0
151.03864	2.9
153.05440	5.6
153.06917	1.9
154.07831	1.7
155.10672	7.4
158.08928	1.8
160.05243	2.7
161.05957	29.5
165.07027	13.6
165.09106	64.1
165.10510	3.8
167.08568	3.5
175.07491	6.0
178.06227	2.4
179.07047	3.5
179.08499	3.6
181.06422	3.0
182.07291	9.4
183.10126	3.7
185.05836	2.1
188.04631	5.2
191.07021	3.2
193.06476	13.1
194.07181	2.0
195.08151	3.2
197.09637	3.8
201.11224	3.9
203.07047	15.9
205.06534	2.6
207.08044	3.9
209.05911	4.5
210.06738	20.2
211.07481	3.0
221.06006	23.6
221.07990	4.1
222.06606	2.8
223.07669	2.4
224.08257	4.5
225.09093	35.4
227.07037	5.9
235.07643	3.4
238.06253	14.3
239.07056	2.6
239.10689	3.9
244.03642	2.7
249.09056	4.1
251.07059	2.7
252.07739	7.4
253.08606	52.0
254.09027	3.0
255.02858	6.5
255.06514	3.4
265.08554	2.3
267.10193	16.3
270.08920	9.5
277.08691	10.0
280.07385	2.3
285.11194	100.0
286.11514	2.1
287.05524	5.2
294.08832	3.7
295.09592	8.3
299.12744	3.7
309.11063	15.6
315.04956	27.6
318.99899	2.0
327.12231	73.2
328.12625	2.5
330.07297	9.8
337.38489	2.4
345.06152	2.0
345.09613	42.5
345.13321	5.3
346.10004	2.8
367.71960	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	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.8
55.05498	1.3
57.03409	1.7
65.03928	1.6
67.05477	4.6
69.03420	2.1
70.99795	3.2
72.23439	1.2
73.02895	1.5
73.78632	1.0
79.05487	2.3
81.03384	1.3
81.07040	5.2
83.04933	1.4
85.02900	2.2
86.42892	1.2
91.05476	5.6
93.07014	2.9
95.04935	2.0
95.08590	3.0
98.43674	1.1
103.05415	1.3
105.07014	2.7
107.04986	3.3
109.02907	1.4
109.06481	2.0
109.10148	10.7
111.04450	3.3
115.05445	2.4
119.04920	1.2
119.08566	1.8
121.06480	4.5
121.10135	1.7
122.03585	1.1
123.04393	3.2
127.03902	1.9
131.04871	2.0
133.06474	1.9
134.03648	1.2
137.02319	2.6
137.05957	32.7
137.09579	7.9
143.04945	3.4
146.03615	2.8
147.04347	1.1
147.08006	2.6
149.05978	6.3
149.36670	1.2
151.03888	2.7
151.07576	2.1
153.01823	2.2
153.05428	4.9
153.06982	1.2
155.10689	3.5
160.05203	2.3
161.05965	42.3
163.03926	3.2
163.07553	2.1
165.06993	16.3
165.09105	10.9
166.07605	1.8
167.07095	1.3
167.08531	2.4
169.06302	1.5
175.07547	6.6
178.06290	5.6
178.07716	1.9
179.07039	3.7
179.08548	5.4
181.06415	3.6
182.07283	6.1
183.08032	2.1
183.10110	2.6
188.04646	9.6
191.07051	3.4
193.06462	17.7
194.07280	2.6
195.08069	2.9
196.05185	1.4
196.08836	2.3
197.09650	4.1
199.07527	1.7
200.49757	1.1
203.06992	19.7
205.08539	1.6
206.07271	2.0
207.07985	5.5
210.06708	20.5
211.07426	4.2
213.09111	2.2
216.04227	4.8
217.04840	1.7
221.05984	22.6
221.07968	2.3
222.06593	1.8
223.07462	1.8
224.08257	8.6
225.05505	2.0
225.09061	35.2
227.07033	4.8
231.06462	2.7
234.06706	2.0
235.07478	5.6
237.05409	1.8
238.06224	16.4
239.06985	4.0
239.10623	5.4
241.04961	1.8
241.08551	2.0
242.09290	2.0
243.06627	1.6
244.03569	2.2
249.09109	3.1
251.07094	2.5
252.07800	5.9
253.08568	61.2
254.09105	2.9
255.02881	11.1
255.06514	4.2
255.10008	1.4
259.06042	3.1
266.09290	1.5
267.10135	19.1
269.04471	4.7
270.08810	6.5
277.08487	7.4
279.06564	1.5
280.07321	2.3
283.02359	4.6
285.11166	100.0
286.11395	1.7
287.05426	12.7
294.08817	3.1
295.09586	9.6
297.03830	2.4
299.12854	2.5
300.02646	6.0
301.07318	1.4
309.11255	14.4
311.09366	1.4
312.06302	2.8
312.09772	1.7
313.07034	1.9
315.04926	68.8
316.05411	2.6
327.12216	79.1
328.12592	1.8
330.07251	18.5
345.06073	5.4
345.09650	72.2
345.13339	8.9
346.09946	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	345.1541
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01870	1.9
55.05489	1.7
57.03415	1.2
58.27022	1.2
67.05498	17.1
68.18143	1.2
69.03432	7.9
69.07053	1.7
70.06569	1.1
70.34235	5.3
70.35486	1.3
71.05006	1.2
73.02895	1.5
74.44981	1.3
79.05479	3.7
81.03412	2.9
81.07059	11.0
85.02893	2.3
91.05451	3.7
93.07027	2.8
94.04173	3.6
95.04945	2.9
95.08607	7.4
97.02892	3.0
99.04458	1.5
100.34523	1.2
105.07010	2.5
107.04916	2.2
107.08578	3.3
109.02920	1.7
109.06522	3.6
109.10141	38.4
115.05424	2.4
116.07081	1.2
117.07110	1.1
119.08552	3.4
121.06469	2.6
121.10089	1.5
122.03623	7.4
123.04427	1.8
125.05975	3.7
127.03874	4.0
131.04826	1.1
137.05966	79.9
137.09599	81.5
137.50479	1.3
138.06294	2.7
138.09929	2.2
143.04900	1.9
148.11270	1.1
148.38313	1.3
149.05957	4.1
151.03825	1.9
153.01814	2.6
153.05432	1.4
155.10684	5.5
161.05984	14.2
163.03854	2.4
165.06931	5.4
165.09099	70.8
175.07536	3.2
178.06270	6.9
178.07570	1.3
179.08537	2.0
181.06523	2.7
182.07326	2.4
183.10176	4.2
188.04668	2.8
191.06950	2.6
193.06488	5.0
194.07259	1.6
195.08000	1.5
197.05959	1.3
197.09586	2.1
201.11194	3.7
203.07021	7.3
207.08072	3.0
210.06731	6.3
211.07510	2.9
216.04144	4.7
221.06000	10.1
221.92891	1.4
224.08243	2.0
225.09073	11.5
226.00418	1.1
227.06963	1.6
228.04059	1.4
231.06595	1.8
233.05983	1.4
234.06644	1.8
235.07553	3.4
237.09129	2.0
238.06187	5.4
239.07069	2.2
239.10553	2.2
241.04893	2.3
243.06476	1.2
244.03728	3.0
249.09030	2.1
251.07005	2.0
252.07698	3.4
253.08568	20.9
254.09019	2.2
255.02869	16.4
259.06021	3.8
265.08606	2.3
267.10165	8.5
269.04446	3.8
270.08936	3.2
277.08521	4.1
283.02316	1.9
283.05893	1.5
285.11197	35.9
286.11554	2.3
287.05453	12.1
288.17706	1.5
294.08777	2.2
295.09583	2.7
297.03928	3.3
297.11118	2.3
299.05493	2.6
300.02753	6.0
309.11182	5.2
312.06180	1.6
313.06760	1.6
315.04947	72.3
316.05338	5.1
327.08762	2.3
327.12210	24.6
329.06537	1.7
330.07300	23.9
345.09644	100.0
346.10037	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07345	2.0
54.38054	1.9
69.37210	19.2
69.37610	5.2
86.51078	2.3
91.05450	5.1
102.27242	1.9
103.05451	8.2
105.07018	2.7
107.08554	2.3
117.06988	4.5
121.06508	2.4
122.03615	4.2
131.04909	17.8
136.36606	2.1
137.05959	47.3
151.07547	14.4
162.06653	4.3
163.07549	37.3
175.07518	8.4
177.09087	100.0
189.70377	2.1
195.10144	8.9
203.10591	3.3
221.11674	5.0
255.02934	4.4
287.05371	3.0
299.12717	5.7
315.04883	12.7
330.07315	3.1
345.05927	4.7
345.09552	21.5
364.01404	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10838	1.1
56.16834	1.1
58.52020	1.1
65.44205	1.1
67.05484	1.6
68.99772	1.4
69.03428	1.3
71.54671	1.9
81.03423	1.4
81.07044	3.0
91.05467	3.7
94.04195	2.2
95.08619	1.6
103.05450	5.3
105.07029	4.8
107.04964	2.7
107.08609	1.5
109.10129	3.4
115.05428	2.4
117.07000	1.4
119.04909	1.2
121.06470	3.1
121.10067	1.5
122.03647	6.2
123.04398	3.0
127.03976	1.4
127.17604	1.1
129.06972	1.6
131.04918	6.7
133.06485	7.9
135.08057	5.6
137.02336	4.0
137.05963	58.8
137.09624	4.0
138.06413	1.6
139.03889	1.4
145.06476	2.2
149.05959	1.8
151.03894	2.0
151.07555	2.9
153.01804	5.2
153.05461	1.6
154.43422	1.2
155.10663	1.4
158.69392	1.3
161.05974	3.4
163.03902	3.1
163.07530	14.7
165.06956	1.5
165.09064	3.7
175.07484	3.0
176.48079	1.2
177.09033	2.6
178.06215	8.0
179.03365	1.2
189.08994	3.7
191.64786	1.1
193.06429	1.8
197.06013	1.7
210.06677	1.3
211.07426	1.3
216.04224	5.6
217.04921	2.4
221.06023	1.4
225.08949	2.9
231.06479	3.2
238.06265	1.3
241.04924	3.1
243.06567	3.1
244.03729	4.6
253.08563	3.8
255.02853	15.5
255.06723	1.6
256.03357	2.0
259.05981	4.6
267.10153	1.7
269.04410	3.6
271.05878	1.4
272.03207	1.7
273.11325	1.6
281.04300	1.2
283.02383	2.1
283.06036	1.6
285.08359	1.5
285.11212	9.1
287.05414	12.9
295.13269	1.3
297.03876	3.7
299.05624	1.6
300.02521	4.1
315.04956	69.6
316.05402	6.5
327.12482	7.5
329.06363	3.3
330.07312	24.3
345.05978	13.9
345.09668	100.0
345.13016	3.7
346.10019	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80391	1.0
55.05492	1.5
58.12408	1.0
67.05462	1.8
67.41902	1.2
71.54097	1.1
79.05460	3.2
81.07014	2.3
84.41418	1.0
91.05456	4.5
93.07008	2.7
94.04189	1.3
95.04958	1.8
103.05458	6.9
105.07005	3.1
107.04929	1.5
107.08569	1.3
109.06480	1.8
111.04449	1.1
112.13067	1.1
115.05445	3.6
117.06992	4.0
119.04902	1.4
119.08572	1.9
121.06483	2.2
122.03620	2.7
131.04897	11.2
131.08560	1.5
137.02327	1.7
137.05960	31.2
138.06282	1.1
145.06429	1.5
146.07176	1.2
147.08018	1.0
149.05942	2.2
151.03880	2.5
151.07536	7.9
153.01830	3.3
157.90431	1.0
161.05946	2.7
162.06606	2.1
163.03914	2.1
163.07526	26.1
171.08002	2.4
175.07549	5.3
177.09087	57.9
178.06277	3.6
179.08502	1.4
180.33105	1.0
182.54179	1.0
194.02827	1.2
195.10117	6.0
197.06113	1.0
203.03583	1.0
203.10661	3.1
206.07108	1.3
216.04187	4.4
217.04893	2.0
221.11688	2.6
231.06464	1.7
236.44708	1.2
243.06500	2.1
244.03642	2.3
255.02919	13.7
259.06024	3.5
267.10278	1.8
269.04385	4.4
272.03253	1.8
283.02390	2.2
283.09491	1.3
287.05453	10.5
297.03818	2.9
299.05533	1.3
299.12704	1.4
300.02747	4.5
307.40039	1.4
312.06207	1.6
313.07193	1.6
315.04944	64.7
316.05289	4.5
330.07303	17.0
345.06406	4.1
345.09641	100.0
346.03802	4.1
346.09891	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	345.1692
Annotation	Malabaricanol
Peak:m/z	Relative Intensity
55.01869	0.8
55.05490	3.1
57.03409	1.3
67.05474	3.3
68.15035	0.7
69.03400	1.6
69.07040	3.6
69.58154	0.7
71.53378	1.5
75.76362	0.8
79.05467	4.4
81.07040	8.8
83.08600	1.5
85.02869	0.8
85.06514	1.1
91.05444	2.7
93.07043	4.3
94.04170	2.0
95.04958	1.7
95.08598	6.2
95.66422	0.7
99.08076	1.0
100.11211	1.5
103.05462	5.3
105.07008	4.3
107.04967	1.9
107.08597	3.9
108.70316	0.7
109.06508	1.6
109.10127	3.3
111.04423	1.6
117.06979	1.2
119.04972	1.0
119.08554	1.9
121.06481	2.5
121.10116	2.7
122.03636	5.7
123.04408	3.5
123.11677	2.4
124.04768	1.3
127.03848	0.8
128.06122	1.1
129.06982	1.4
131.04883	5.4
133.06461	6.2
135.04384	0.8
135.08031	3.0
135.11684	1.8
137.05960	57.7
138.06836	4.1
139.03867	0.9
139.07066	2.8
143.08553	0.9
145.06419	2.7
147.04411	1.2
147.11633	1.0
149.05934	1.7
149.13284	2.5
151.03867	1.1
151.07498	1.7
153.01801	2.0
157.10068	1.0
160.05240	0.8
161.05960	3.4
161.13416	0.8
163.03917	1.8
163.07529	10.7
163.14847	1.2
165.09076	0.8
167.03343	0.9
167.07010	2.4
170.02089	1.6
171.08136	0.9
175.07509	2.8
177.09045	0.9
178.02538	1.1
178.06195	5.7
182.07191	1.1
185.06017	0.9
187.07558	0.8
189.09030	1.5
193.06535	1.2
203.06998	1.2
207.08075	1.1
210.06911	1.2
210.14906	1.5
211.07494	1.3
213.05470	0.7
216.04187	6.2
217.04811	1.2
221.05838	1.3
225.09094	1.9
231.06468	2.5
237.05853	0.8
238.06265	1.0
241.04950	1.9
243.06467	1.6
244.03696	1.7
253.08510	3.9
255.02885	16.2
256.03387	1.3
257.04385	1.0
259.05930	4.3
267.10086	1.6
269.04361	4.1
271.05795	0.9
272.03140	1.3
281.04453	1.1
283.02319	2.1
283.05856	1.2
284.03006	1.6
285.11218	6.1
287.05524	12.6
288.05670	1.4
295.09659	1.0
296.38821	0.9
297.03885	3.4
299.05396	1.6
300.02621	4.7
301.06906	1.1
312.06168	2.0
313.07098	1.3
315.04938	67.8
316.05264	6.0
327.12256	5.9
329.06705	1.4
330.07285	18.0
331.07532	2.0
345.09641	100.0
346.06442	1.1
346.10037	6.9
355.83548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80391	1.0
55.05492	1.5
58.12408	1.0
67.05462	1.8
67.41902	1.2
71.54097	1.1
79.05460	3.2
81.07014	2.3
84.41418	1.0
91.05456	4.5
93.07008	2.7
94.04189	1.3
95.04958	1.8
103.05458	6.9
105.07005	3.1
107.04929	1.5
107.08569	1.3
109.06480	1.8
111.04449	1.1
112.13067	1.1
115.05445	3.6
117.06992	4.0
119.04902	1.4
119.08572	1.9
121.06483	2.2
122.03620	2.7
131.04897	11.2
131.08560	1.5
137.02327	1.7
137.05960	31.2
138.06282	1.1
145.06429	1.5
146.07176	1.2
147.08018	1.0
149.05942	2.2
151.03880	2.5
151.07536	7.9
153.01830	3.3
157.90431	1.0
161.05946	2.7
162.06606	2.1
163.03914	2.1
163.07526	26.1
171.08002	2.4
175.07549	5.3
177.09087	57.9
178.06277	3.6
179.08502	1.4
180.33105	1.0
182.54179	1.0
194.02827	1.2
195.10117	6.0
197.06113	1.0
203.03583	1.0
203.10661	3.1
206.07108	1.3
216.04187	4.4
217.04893	2.0
221.11688	2.6
231.06464	1.7
236.44708	1.2
243.06500	2.1
244.03642	2.3
255.02919	13.7
259.06024	3.5
267.10278	1.8
269.04385	4.4
272.03253	1.8
283.02390	2.2
283.09491	1.3
287.05453	10.5
297.03818	2.9
299.05533	1.3
299.12704	1.4
300.02747	4.5
307.40039	1.4
312.06207	1.6
313.07193	1.6
315.04944	64.7
316.05289	4.5
330.07303	17.0
345.06406	4.1
345.09641	100.0
346.03802	4.1
346.09891	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	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01868	3.1
55.39035	1.8
57.03412	5.7
61.02925	11.6
65.38400	1.7
69.03422	21.7
69.07036	2.0
70.06580	6.5
70.49763	1.7
71.04996	2.9
71.05379	1.6
71.52283	4.2
73.02912	3.0
81.03403	8.8
81.46001	1.8
83.04987	2.2
85.02893	100.0
86.09689	4.7
87.04459	2.6
89.86931	2.0
91.03943	8.0
92.50330	1.8
93.25035	2.0
97.02877	29.6
99.04440	6.0
107.04936	68.3
109.02843	7.5
116.07110	4.1
119.04897	2.7
121.06471	3.6
123.04416	5.3
127.03905	23.8
135.04425	2.0
138.09131	3.1
139.03902	6.3
145.04927	37.5
147.04417	5.4
147.65096	1.8
149.05975	23.8
150.05342	2.5
151.03929	1.8
153.01865	2.1
155.03351	4.1
163.03847	4.5
163.06079	4.6
165.05492	2.6
166.01128	2.7
166.08627	4.1
167.07036	10.5
167.08401	3.2
167.10674	5.7
169.25923	2.1
173.05998	5.6
176.51193	2.2
177.06889	2.7
178.13930	1.8
180.08609	9.7
184.02261	2.8
184.09669	3.0
195.08022	2.3
215.07047	6.4
219.07968	3.7
223.07616	2.4
233.08093	7.1
237.09164	2.7
241.08617	2.9
256.03058	5.5
257.07947	2.5
275.09030	2.0
283.09558	3.4
285.25726	2.1
288.05789	2.7
300.12256	7.3
316.05286	19.3
331.07626	6.3
346.09930	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
69.03414	2.7
69.83500	4.1
72.08131	1.1
76.02229	1.1
79.05479	17.5
81.03404	1.4
81.07047	0.9
85.02901	7.5
85.06534	8.0
86.09772	0.7
91.05496	0.8
93.07011	2.6
95.04991	1.0
95.08604	2.7
97.02905	1.5
98.21483	0.9
103.05424	4.4
104.84995	0.8
105.00003	0.9
105.07016	2.9
107.04942	100.0
107.08585	3.8
108.05310	1.1
109.10182	3.4
113.05989	37.1
119.08533	1.5
121.10125	3.3
122.02704	7.8
127.03903	1.4
131.04910	27.1
131.08543	1.6
133.10118	2.6
135.11668	6.5
137.09636	1.6
145.04973	1.8
145.10095	1.2
149.05963	56.3
149.09576	2.4
150.06288	1.6
179.44685	0.7
187.70007	0.7
189.12758	1.6
207.13753	8.4
215.42360	0.7
260.18387	0.8
275.70410	0.7
316.05411	2.3
331.07925	1.1
346.10089	4.3
346.16922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0756
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.05499	0.3
65.03925	0.6
67.01852	0.4
67.05488	0.3
68.99772	1.3
70.51896	0.7
70.52216	0.2
79.05463	0.7
81.03366	0.3
81.07050	0.3
81.35097	0.3
91.05457	0.2
92.02619	0.4
93.03387	0.4
95.04932	0.3
105.03370	0.8
105.07018	0.6
106.04155	0.5
107.04958	0.7
107.08543	0.3
109.02851	0.8
110.03630	0.3
111.00764	0.6
111.04431	0.6
120.02095	0.3
121.02853	2.3
122.00006	0.2
125.05960	0.3
126.03139	0.5
131.34937	0.2
133.02820	1.1
133.10120	0.3
135.04396	0.4
137.02304	2.7
137.05930	0.5
139.03886	5.7
147.04372	0.4
147.99107	0.3
149.02319	0.3
150.03075	1.4
151.03879	0.5
153.01808	15.3
153.05434	7.0
154.06183	1.0
155.04922	0.4
155.50827	0.2
157.06461	0.5
161.05917	0.4
163.03883	0.9
165.01811	5.1
166.02536	0.4
168.45479	0.3
170.02122	0.2
171.04341	0.4
173.05936	0.3
175.03954	0.2
175.07391	0.3
177.29218	0.3
178.02551	0.9
179.03288	0.4
179.80168	0.2
181.04930	2.7
183.02931	1.3
183.04240	0.3
184.05161	0.3
185.05972	0.6
187.03905	0.3
188.04645	0.4
189.05589	0.2
191.03357	0.4
193.01360	0.3
194.02106	0.8
195.02785	0.3
199.03874	0.3
200.04756	0.4
201.05455	1.4
202.02646	0.3
202.06186	0.2
203.03378	0.6
205.05020	0.3
207.02859	0.5
207.06523	1.5
213.05377	1.1
216.04117	1.7
217.04851	0.7
219.02805	0.7
221.04379	0.3
224.03105	0.3
227.03342	0.6
228.04109	0.7
229.04932	4.0
230.05672	2.2
231.02817	0.4
231.06508	1.7
232.03607	0.4
233.04419	0.7
240.04265	0.3
241.04958	1.3
242.05704	0.4
243.02887	1.9
244.03635	3.1
245.04356	0.8
247.02263	0.3
255.02869	1.2
256.03665	0.5
257.04422	3.7
258.05219	12.0
259.05942	4.4
260.03137	0.6
261.03955	1.1
269.04416	2.8
271.06046	0.4
272.03088	1.0
273.03809	0.8
274.04620	0.4
275.05490	0.5
283.02365	1.1
284.03098	1.2
285.03882	4.4
286.04681	9.5
287.05463	15.3
288.05789	1.2
289.03439	1.8
291.08554	2.4
297.04016	0.6
300.02609	1.1
301.03351	1.1
302.04117	0.7
303.04947	7.0
304.05524	0.5
313.03381	1.7
314.04190	2.3
315.04959	4.6
316.05423	0.6
317.02908	0.8
318.03864	0.4
318.07318	0.9
319.02576	0.5
331.04449	10.5
332.05209	3.8
347.07559	100.0
348.07898	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	347.1697
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.38376	6.1
52.77136	6.7
54.98952	6.8
55.05503	13.5
57.27182	6.2
68.30768	7.7
69.03427	8.1
70.53537	19.6
79.05484	46.4
81.07053	34.7
83.04961	11.5
85.02887	14.9
87.30484	7.2
87.44691	7.6
91.05502	9.4
93.07023	13.8
97.02881	7.9
107.08594	66.2
108.48505	7.2
109.57684	6.8
121.10134	19.0
125.06036	10.1
125.09624	37.4
137.05972	12.6
144.15990	6.1
149.09637	8.7
153.01816	14.7
153.05563	11.5
166.20560	8.4
167.10672	30.0
210.50879	7.7
229.05038	7.8
258.05212	15.1
287.05350	14.5
302.14868	7.7
303.04993	8.5
308.30075	7.4
331.04434	7.7
341.00848	6.7
347.07559	100.0
348.07684	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1849
Annotation	CHEBI:68160
Peak:m/z	Relative Intensity
50.01584	0.5
55.01849	0.8
55.05490	1.0
62.59138	0.5
67.05501	0.5
69.07066	2.9
70.77863	1.1
70.78261	1.0
71.04359	0.4
79.05473	3.3
80.71996	0.4
81.07037	2.2
91.05454	3.4
93.07027	1.4
94.04176	2.7
95.04958	1.4
103.05456	1.7
105.07022	7.8
107.04291	0.6
107.04952	7.6
107.08559	1.0
109.02881	0.5
109.06509	1.6
110.03642	1.5
111.96162	0.6
115.05425	0.7
117.07010	1.5
119.04949	1.3
119.08576	2.9
121.06499	2.7
122.03630	7.1
123.04430	8.4
125.05997	0.7
129.06917	0.7
131.04924	2.3
133.06473	20.9
133.10101	0.8
135.04402	1.3
137.05963	100.0
138.03104	5.5
138.06313	1.3
142.07797	1.3
143.05936	0.6
145.06483	2.1
145.10107	4.9
146.07237	0.8
147.08040	1.1
147.11679	3.1
149.05965	5.3
151.07529	4.0
153.05447	54.7
154.05989	1.0
157.10130	2.7
160.08844	0.8
162.06635	0.5
163.07547	0.9
163.11157	4.6
165.09048	1.1
167.06990	1.4
170.18484	0.6
170.79460	0.5
173.09596	5.1
175.11169	29.6
181.08556	1.0
191.10652	22.3
205.12259	1.5
207.13783	14.9
223.13271	19.3
328.72662	0.5
347.10297	0.7
347.18405	3.9
369.98538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0704
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
55.01857	0.4
55.05507	0.3
56.05017	0.8
56.96549	1.9
57.03420	1.0
61.02916	1.3
67.05482	0.6
69.03423	2.0
70.06571	0.7
70.68953	0.9
71.04996	0.3
72.08142	1.0
73.02900	0.7
83.04936	0.4
84.04493	0.8
84.08125	0.4
84.96009	0.3
85.02890	1.9
87.04450	0.5
88.03954	0.6
94.06542	0.6
95.04925	0.5
97.02886	8.5
98.97558	1.5
98.98433	0.4
99.04475	0.3
106.06564	0.4
108.08045	0.4
109.23346	0.3
110.06046	0.5
110.97565	0.5
116.98618	0.8
119.01884	0.9
119.03542	0.9
122.06021	2.1
123.04367	0.3
123.06783	2.0
124.07572	0.5
127.03912	1.1
127.48399	0.3
128.98645	0.4
131.01917	0.4
134.05969	0.4
134.99623	0.3
135.03058	0.8
135.04433	0.4
136.06169	100.0
137.04585	1.2
137.06606	0.6
138.05490	6.1
139.03902	0.8
140.07062	0.5
143.00146	0.3
145.01675	0.5
146.99648	0.7
150.05478	4.7
151.06256	2.8
152.07039	1.0
157.02512	0.3
161.01186	0.4
161.02907	0.4
163.03862	1.2
168.06540	6.2
170.09436	0.3
173.01215	0.3
173.12758	0.3
174.99069	0.4
177.00655	0.4
180.06528	1.0
186.07602	1.4
186.11153	0.4
189.00667	0.3
191.03534	0.3
204.05504	0.5
206.63327	0.3
216.09764	0.4
219.01677	0.4
219.03557	0.4
220.04205	1.2
232.04836	0.6
236.07274	0.5
237.02858	0.4
238.03017	0.3
330.11740	0.6
348.07001	4.1
348.13010	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1073
Annotation	(-)-Woodinine
Peak:m/z	Relative Intensity
55.01856	1.0
56.05017	1.4
61.48951	0.7
62.77504	0.8
63.19830	0.7
65.03913	2.7
67.04582	0.9
68.05037	1.0
68.99772	2.5
69.03410	3.0
70.06572	1.1
71.54546	1.3
71.77472	0.7
79.05470	2.5
80.05005	1.2
84.04495	6.5
93.03372	2.1
95.04967	1.6
96.04512	1.1
97.02885	1.7
98.06024	2.0
106.06495	1.5
107.04923	3.8
108.04449	1.2
109.02866	1.1
110.06037	2.5
111.04396	3.1
112.07552	1.1
117.03388	1.2
119.04932	1.1
121.02831	2.8
123.04406	5.5
124.03900	3.3
124.07568	2.1
126.05488	3.7
127.03909	2.2
133.02838	1.5
134.05978	4.9
135.04401	8.9
136.03914	0.9
136.06171	7.0
137.02277	1.4
137.05963	1.2
138.05495	9.3
139.03885	66.3
140.04189	0.9
140.07034	2.2
141.04303	1.4
145.02771	1.2
147.04337	2.2
149.02354	1.3
149.05945	1.4
151.03879	5.4
152.03430	1.5
152.07053	4.8
153.05434	1.9
154.04991	1.7
155.03351	1.3
156.06465	1.1
159.04402	1.3
161.05827	0.9
162.05464	5.1
163.03888	25.9
164.07051	2.4
165.01785	1.0
165.05426	2.4
166.04951	2.2
168.06541	19.9
169.04947	0.9
170.62741	0.8
174.05508	1.3
175.03859	1.2
177.05443	3.7
178.00888	0.8
178.04951	1.1
179.03381	2.3
180.06535	100.0
181.04932	5.8
181.06825	1.8
182.08125	6.9
192.06505	8.5
193.04933	3.2
204.06502	4.0
205.04919	1.5
205.07344	0.9
210.07555	6.5
218.08057	0.9
240.06705	0.8
245.04341	3.1
289.06900	1.1
312.08600	1.1
313.06918	1.4
330.09769	6.3
331.08090	2.4
348.10706	60.4
352.35004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.01854	2.2
56.96535	1.1
60.04512	2.5
65.03931	2.6
67.01842	1.8
67.05488	1.8
68.05032	1.4
68.99785	4.2
69.03408	3.3
70.02923	1.1
70.06583	1.6
71.54472	1.8
77.03915	1.4
79.05469	2.8
80.04986	1.7
81.03403	2.4
81.07056	1.1
82.06554	1.0
83.01327	1.2
83.04984	2.2
84.04490	6.9
85.02895	3.7
91.05477	5.1
95.01319	1.0
95.04951	5.7
96.04465	1.6
96.08073	1.3
97.02877	3.0
98.06031	1.0
99.04536	1.0
100.03944	1.3
105.03394	1.7
105.07015	1.4
107.04944	5.0
108.04455	3.2
108.23382	0.8
109.02839	3.2
110.06013	3.5
111.04412	5.8
112.03933	1.7
115.05442	1.0
117.03311	1.4
117.19636	0.9
118.06519	1.0
119.04922	8.4
120.04475	1.4
121.02850	3.7
121.06512	1.1
122.06034	2.0
123.00780	2.8
123.04411	100.0
124.03957	2.3
124.07558	2.6
125.02297	1.7
126.05489	4.2
127.03867	4.6
131.04906	2.6
132.04434	2.2
133.02846	2.3
134.06000	5.1
135.04402	10.4
135.93304	0.9
136.03929	3.4
136.06183	7.4
136.07562	1.3
137.02295	4.3
137.05969	3.5
138.05476	12.3
139.03882	54.0
140.03416	7.5
142.04967	3.0
143.04860	1.2
145.02812	2.3
146.05977	4.1
147.04381	20.0
148.03906	5.7
148.07545	1.8
149.02321	15.7
149.04846	1.3
149.05922	4.4
150.05417	4.5
151.03883	9.0
151.07506	17.3
152.07039	7.9
153.01773	1.1
153.05423	2.1
154.04971	41.8
155.03372	12.5
156.06555	0.9
159.04395	1.3
161.05878	2.3
162.05473	9.3
163.02531	1.8
163.03876	22.6
164.07043	12.2
165.01927	1.1
165.05428	7.0
166.04976	33.0
167.03360	3.0
168.06573	10.4
169.05014	1.1
169.06432	1.2
173.05934	2.2
176.07072	4.3
177.05470	6.1
178.04970	13.4
179.03372	5.3
180.06534	41.5
181.04924	2.4
184.06038	2.9
185.06021	2.4
186.05484	1.4
187.03883	2.1
188.07010	2.2
189.05411	2.1
189.07848	2.6
191.03357	1.0
192.06551	5.5
193.04901	1.8
194.08069	6.9
196.06035	24.9
196.07784	2.1
197.06003	2.3
198.07596	1.1
200.07065	1.3
201.05423	2.5
202.08476	1.1
203.07056	1.8
204.06537	2.7
205.04965	2.0
205.06976	1.0
208.06020	35.5
210.07605	8.1
213.05534	1.4
215.07091	1.3
222.07562	1.7
225.05614	1.6
229.05042	2.4
241.04941	2.3
243.06551	3.2
246.07584	1.0
260.09042	1.6
269.04416	1.3
270.07578	3.3
271.06009	3.3
272.06665	1.4
273.10867	1.0
284.09189	1.7
287.05484	1.6
288.08499	5.0
289.07047	4.1
294.80179	1.1
302.10211	2.2
304.11856	1.1
306.09720	7.1
312.08658	3.8
313.06754	1.3
330.09595	12.2
331.07971	1.4
348.10730	34.0
349.08847	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	348.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15978	0.7
55.01847	0.8
57.03417	1.4
60.04516	1.0
61.02905	0.7
67.05478	1.3
69.03403	3.8
69.07057	39.3
69.70734	4.0
70.06555	2.3
70.07368	1.0
73.02883	0.7
79.38603	0.6
80.04955	0.6
81.03403	3.2
83.98241	0.7
84.04443	1.0
85.02888	13.9
95.04948	2.7
97.02882	7.3
97.06524	5.1
99.04419	0.9
103.03918	1.3
109.02857	2.5
112.07584	4.5
123.04410	2.1
126.05516	1.0
127.03895	3.8
136.06166	7.3
139.03848	2.7
140.07040	40.4
141.05444	1.1
141.07344	1.2
152.50967	0.7
154.08551	0.8
163.03906	3.8
164.07088	0.8
164.77245	0.6
168.06535	100.0
169.06866	2.1
177.49504	0.7
180.06589	4.9
182.08107	11.6
186.07587	14.8
206.08174	1.7
210.07593	21.7
228.08649	1.7
228.56845	0.7
234.07611	3.8
258.77130	0.7
264.08633	1.1
275.52344	0.6
276.08618	3.0
294.09665	1.3
330.11746	0.8
348.10681	2.8
364.34042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64381	1.2
56.05040	1.7
56.96562	20.7
57.82362	1.3
61.02915	3.0
61.56258	1.4
67.05485	1.4
68.05010	1.5
69.03416	4.5
70.99416	4.0
75.64748	1.5
77.22052	1.4
81.03412	1.8
82.06532	1.4
83.04945	1.6
84.04492	6.6
84.96018	2.1
85.02895	9.2
86.09699	2.4
89.03901	5.8
94.06533	3.5
95.04964	3.2
96.04454	1.6
97.02879	12.9
98.97565	13.6
102.35600	1.7
107.04933	2.9
109.02876	1.8
110.97538	3.6
111.04393	3.1
116.98616	8.9
117.03344	4.0
119.01899	3.0
119.04926	2.1
120.01939	1.6
121.02890	1.8
122.06011	15.3
123.04445	10.1
123.06794	2.8
126.05534	2.1
127.03945	2.7
127.99846	1.6
128.98569	5.6
131.00150	2.0
131.01894	2.0
134.99619	3.3
135.04382	9.7
136.06168	100.0
137.04659	2.9
137.06505	1.8
138.05498	10.2
139.03871	14.9
140.07034	2.2
143.00114	3.9
145.02679	2.8
146.99638	5.8
147.04356	3.5
150.05472	20.2
151.03885	4.2
151.06299	3.4
152.07047	4.7
155.02013	1.7
157.01743	1.6
158.99652	3.0
159.03290	3.3
161.01273	7.5
161.02922	4.5
162.07544	1.5
163.03903	32.5
164.04198	2.7
165.00737	2.3
168.06540	33.3
169.01709	1.9
169.03444	3.2
169.04935	4.3
170.01286	1.8
170.99609	2.6
174.99138	4.3
175.02748	2.1
176.08228	2.0
177.00694	4.4
177.04349	4.9
180.06544	16.3
182.08058	2.0
185.01285	1.8
186.07680	10.1
187.02942	2.3
187.04521	8.2
188.08128	3.0
189.00661	3.7
193.00221	8.3
195.71164	1.8
214.05997	1.8
215.00421	1.8
215.14105	1.9
219.01736	7.3
223.01270	2.4
229.05423	1.5
237.02788	11.2
249.02745	2.9
255.01663	2.7
267.03836	2.7
273.02750	2.7
297.04147	1.6
303.07510	10.0
321.08594	12.6
348.06909	3.5
348.10818	5.8
348.13092	5.0
349.04108	3.0
349.08130	11.5
367.08859	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
57.03420	1.0
60.61600	0.6
65.69923	0.6
67.05482	1.5
67.11375	0.9
69.03409	2.3
71.04984	1.1
71.56224	0.9
79.05476	1.7
81.03397	1.3
81.07044	6.0
83.04955	1.6
84.04505	3.5
85.02895	4.8
85.06516	0.9
87.02665	1.9
87.04444	0.9
91.05439	1.0
93.07070	0.9
95.04946	1.0
97.02895	1.8
99.04417	1.3
99.08059	1.1
101.06005	2.6
107.08598	1.0
109.02884	1.1
109.06489	0.8
109.10117	1.3
111.08070	3.1
119.04922	0.9
122.02726	1.9
123.04401	1.5
123.08059	1.4
125.09634	0.9
127.03889	1.5
127.11186	1.7
129.09088	2.3
131.01822	1.3
135.04398	0.9
136.06177	0.9
139.03917	1.5
145.04874	1.1
147.04393	4.5
151.03917	0.7
153.09154	0.8
159.04573	0.8
163.03854	1.0
166.04988	0.8
169.12160	1.5
173.03064	1.0
177.05554	0.9
185.04182	7.4
187.03676	4.2
187.13313	3.9
189.05411	1.7
202.08958	2.6
203.07480	0.9
224.10655	0.7
230.33037	0.7
239.08000	1.1
247.04515	3.1
259.04565	1.5
265.05579	2.6
288.12314	1.2
289.05524	1.2
295.06329	0.7
303.13910	0.8
307.06573	2.5
331.12872	2.4
349.08899	100.0
350.09256	3.1
367.08865	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.4
57.07052	5.9
57.68995	4.4
67.05493	39.0
69.03397	5.3
71.04977	7.4
71.32676	9.0
74.28979	4.4
81.07036	19.7
85.02895	12.9
89.90639	4.6
91.05421	5.6
93.07047	10.7
95.08602	8.4
100.11251	8.1
105.07009	10.3
107.08593	17.4
109.10139	100.0
117.06937	4.9
119.08578	5.8
123.08049	4.4
123.11639	5.3
127.11182	71.9
128.11568	6.2
133.10109	21.8
137.05954	18.8
141.11476	4.9
151.11154	16.2
163.66690	4.4
169.12215	18.4
187.13290	10.4
225.08936	5.5
317.11624	12.6
349.14188	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82600	0.8
53.03933	3.3
55.01869	4.7
55.05506	17.1
56.96555	1.5
57.03430	14.0
57.07063	3.3
61.02941	0.9
62.40833	0.9
65.03916	1.6
67.05495	30.1
69.03403	2.7
69.06721	1.3
69.07060	19.5
71.04977	2.3
79.05479	26.3
81.03397	2.1
81.07044	38.5
83.04963	8.2
83.08601	7.1
85.02890	1.3
85.06548	1.3
91.03918	1.1
91.04896	1.2
91.05466	26.6
93.07030	31.3
95.04969	10.4
95.08597	22.7
97.02867	1.4
97.06508	5.8
97.10143	3.2
102.33597	0.9
103.05479	1.5
105.07014	29.0
107.04942	10.1
107.08578	18.0
109.06498	11.2
109.10137	8.4
111.08052	2.6
117.07019	10.3
119.08560	18.0
121.06484	12.1
121.10120	11.4
123.08065	5.9
123.11694	3.2
125.09621	2.1
129.06975	3.0
131.04956	0.9
131.08556	20.0
133.06461	4.0
133.10110	18.2
135.08054	5.2
135.11670	7.1
137.09633	3.1
141.06981	1.7
143.08522	3.4
145.06479	2.3
145.10086	12.9
147.08020	3.8
147.11670	10.9
148.12100	1.4
149.09613	6.6
149.13220	4.8
151.11154	6.9
155.08519	2.1
157.10117	3.0
158.02655	0.9
159.08060	3.2
159.11670	7.9
161.09598	3.6
161.13243	3.7
163.11140	9.1
163.14767	1.0
169.10133	1.9
171.11667	3.4
173.09599	3.2
173.13245	6.9
175.11177	4.1
175.14774	1.8
177.12732	3.4
183.11653	2.9
187.11336	2.0
187.14742	1.2
189.12646	1.2
191.14294	3.6
197.13243	1.6
201.12715	3.1
205.19489	1.4
207.13786	3.2
215.14250	1.8
215.17886	2.8
219.13823	4.0
219.17473	1.0
229.19539	3.4
231.17436	1.5
233.15240	1.4
239.17870	5.6
247.20566	4.7
247.65138	1.0
257.18964	14.6
267.08966	1.9
269.10513	1.2
275.20029	100.0
276.20392	3.5
285.10101	4.9
293.21066	6.9
349.23709	31.5
350.23700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01842	1.7
55.05497	3.9
57.03429	3.1
57.07059	4.3
60.38920	1.2
60.48605	1.1
66.59982	1.1
66.64342	1.2
67.05494	9.8
69.07051	7.9
71.08622	2.8
71.45721	2.3
79.05473	7.6
81.07048	10.2
83.04955	1.4
83.08630	2.0
85.06534	2.2
91.05464	4.8
93.07038	6.0
95.04986	1.4
95.08593	7.6
97.06514	3.1
97.10181	1.8
99.08073	2.3
105.06996	4.5
107.08560	5.6
109.06497	17.7
109.10131	2.4
119.08559	4.9
121.10140	4.8
122.07272	2.3
123.08044	28.6
131.08524	2.3
133.10135	2.8
135.08029	3.5
135.11720	1.6
145.10095	3.0
147.11702	2.4
149.09624	3.2
153.14633	1.2
159.11653	1.2
163.11186	2.0
163.27374	1.1
165.12706	1.3
179.14285	100.0
180.14651	4.2
193.15898	2.9
239.17702	1.2
275.19992	5.7
331.26364	2.8
349.23926	3.9
349.27341	74.1
350.27396	3.4
370.88440	1.2
371.37643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96132	3.7
69.87425	18.6
83.46084	3.3
85.02881	5.2
97.02865	3.6
98.20725	4.5
101.00881	5.3
108.89243	3.6
113.00893	4.3
119.01910	6.7
131.01866	10.7
133.01607	3.5
143.01862	6.8
145.03439	8.8
147.04958	4.1
155.01823	13.4
157.03462	7.6
161.02983	5.4
163.83527	4.1
169.03357	7.0
173.02924	13.7
185.02959	5.7
201.06146	8.6
221.05046	9.9
231.01620	4.0
235.06549	7.3
249.02779	7.1
261.08099	4.3
287.05283	7.5
289.07520	10.0
291.09186	12.3
309.10318	4.4
327.44211	3.8
333.06674	7.0
351.06882	100.0
351.11795	16.2
367.59308	4.2
370.60684	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
53.03929	1.6
55.01870	9.8
55.05509	12.4
57.07055	3.8
65.03920	1.5
67.05495	20.3
69.03419	2.2
69.07063	17.9
70.03062	8.1
71.04968	3.1
71.08607	6.6
79.05487	17.3
80.73276	1.5
81.07048	32.6
83.04964	3.7
83.08606	2.9
85.06528	2.0
89.47012	1.4
90.08085	1.5
91.05461	14.8
93.07040	24.5
95.04953	15.0
95.08596	22.3
97.06535	9.6
97.10149	2.8
98.21407	1.6
99.08075	4.4
105.06985	14.3
106.94586	1.3
107.08568	11.6
109.06509	63.8
109.10130	8.2
117.06979	3.8
119.08577	14.1
121.06509	11.8
121.10123	9.3
123.08031	3.4
123.11655	3.2
128.26233	1.4
131.08551	6.2
133.10121	8.6
135.08031	4.8
135.11646	4.3
137.09567	4.4
145.10097	9.9
145.25395	1.4
147.11676	6.1
149.09607	4.0
149.13248	2.8
155.08609	1.6
159.11690	4.3
160.07545	1.5
161.09631	1.8
161.13228	3.1
163.11201	11.9
165.12735	53.4
169.10103	1.8
171.11885	1.9
173.13234	5.9
175.11195	1.8
179.14255	2.6
187.14787	3.0
191.14342	4.8
197.13289	1.9
201.16364	1.5
215.14249	1.7
221.15334	3.9
229.14328	2.5
233.15324	4.5
235.16866	1.5
261.22214	6.0
271.20514	2.4
289.21591	67.0
290.21951	1.7
295.19153	8.0
333.24222	5.3
351.25287	100.0
352.25513	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.8
55.01863	3.2
55.05505	19.5
57.03418	7.6
65.03914	2.8
66.74744	2.4
67.05495	48.5
69.07065	18.8
69.77287	11.5
69.77717	5.7
71.04968	2.6
71.08633	3.0
79.05042	4.5
79.05481	64.5
81.07045	61.0
83.08619	9.2
85.06522	3.0
91.05468	52.1
91.05991	4.0
93.07030	90.5
94.07378	2.4
95.04949	10.4
95.08585	52.0
97.06540	5.0
97.10144	3.9
97.37961	2.3
98.20731	4.9
105.04535	3.0
105.07006	57.3
105.07661	4.2
106.07363	2.5
107.04971	2.2
107.07854	3.1
107.08585	57.6
109.06506	8.0
109.10130	14.5
117.07010	11.6
119.08562	61.3
119.09426	3.1
121.10125	48.1
123.08057	5.6
123.11710	5.3
129.06970	6.7
131.08542	24.6
133.10110	53.5
135.08104	2.7
135.11681	49.2
137.09601	3.7
143.08556	11.0
145.10089	23.7
147.08020	3.0
147.11662	56.1
149.09607	4.0
149.13231	33.3
157.10098	8.6
159.11650	22.1
161.13243	41.8
163.11177	4.5
163.14841	7.0
165.12732	6.6
171.11688	16.6
173.13251	12.8
175.11261	2.5
175.14821	12.4
177.12770	3.4
183.11794	2.4
185.13257	14.7
187.14812	3.7
192.41541	2.5
199.14781	9.9
213.16327	7.0
217.19470	2.4
231.21138	7.7
240.54440	2.6
241.19496	38.9
259.20532	100.0
260.20831	3.0
277.21655	14.1
289.21591	6.4
321.56094	2.8
327.35553	2.8
333.24179	10.5
349.36703	2.7
351.25348	64.6
352.25595	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05499	16.1
56.73801	2.0
57.03424	10.5
57.07053	4.2
60.45173	1.9
65.03928	3.3
67.05492	57.3
69.03407	2.2
69.07053	17.6
70.92799	3.3
70.93124	4.0
71.04962	4.4
71.08625	3.8
79.05480	73.1
81.07037	66.2
83.04971	2.7
83.08599	8.7
85.06506	2.8
91.05474	52.2
93.07027	95.5
95.04938	8.5
95.08596	48.2
97.06535	5.1
97.10144	3.7
98.30201	2.0
99.08078	4.9
104.34119	2.2
105.07017	67.1
107.08573	51.6
109.06495	3.0
109.10146	17.1
113.09624	2.7
117.06988	13.3
119.08554	57.7
121.06480	2.3
121.10121	47.3
123.08115	3.3
123.11693	5.8
125.09623	2.6
129.06966	9.5
131.08548	24.4
133.10115	46.5
135.08064	3.0
135.11667	46.5
137.09569	3.6
143.08531	12.7
145.10095	26.5
147.11667	45.5
149.09535	2.5
149.13226	29.6
157.10100	12.6
159.11658	19.9
161.13228	41.2
163.11160	5.0
163.14771	11.1
165.12735	2.2
166.31752	2.9
171.11656	19.1
173.13197	11.0
175.11188	2.5
175.14774	22.7
177.12752	5.1
185.13261	13.2
187.14787	5.3
189.12689	5.0
190.76512	2.2
191.14395	2.4
199.14825	9.0
203.14288	2.2
207.13849	3.1
213.16319	6.3
213.63673	2.1
215.17886	4.0
216.02002	2.5
217.15898	4.0
217.19455	7.1
231.17473	3.0
231.21017	8.3
238.28171	2.2
241.19463	36.7
259.20544	100.0
260.20935	5.5
277.21652	20.0
289.09372	2.4
333.24109	10.3
351.25546	51.5
352.25632	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.7
55.05505	17.4
57.03411	8.7
60.88184	3.3
61.75110	2.9
65.03880	4.0
66.48985	3.4
67.05496	43.9
69.03416	3.4
69.07045	14.7
69.30204	20.8
69.30635	10.7
70.29866	2.9
79.05057	4.5
79.05482	62.4
81.07045	51.9
83.04952	3.3
83.08576	5.5
91.04956	5.0
91.05468	58.0
93.07030	73.0
95.04948	7.6
95.08593	39.1
97.06475	4.5
99.08086	5.4
105.07019	61.7
107.08576	53.8
109.06475	4.0
109.10149	14.8
117.06998	13.3
119.08560	62.3
121.10112	36.2
123.11675	5.8
127.86243	3.6
128.06169	3.1
129.06976	13.1
131.08545	25.4
133.10126	54.5
135.11652	28.0
143.08545	10.6
145.10104	24.3
147.11673	58.3
149.13240	18.4
151.11096	6.7
155.08521	3.9
157.10040	7.7
159.11697	21.0
161.13237	35.1
161.62686	3.0
163.14783	7.7
171.11699	16.1
173.13257	9.0
175.14793	23.0
177.12717	5.6
179.75787	3.1
185.13264	14.4
187.14700	4.1
189.12700	5.3
199.14824	4.8
213.16367	4.9
217.19403	3.4
231.21106	8.0
239.73712	3.3
241.19466	38.4
259.20541	100.0
260.20901	6.7
351.25577	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
55.01868	9.5
55.05504	11.9
57.03413	2.4
57.07046	2.3
65.03925	2.2
67.05496	19.1
69.07057	17.4
71.04977	3.7
71.08611	5.3
79.05486	12.4
80.24568	2.0
81.07051	25.4
83.04982	3.1
83.08609	4.9
83.59920	1.8
87.01355	1.8
91.05464	13.6
93.07037	19.3
95.04967	14.6
95.08585	26.0
95.63014	1.8
97.06511	9.2
99.08072	4.1
105.07022	14.6
107.08569	10.7
109.05764	3.9
109.06508	62.1
109.10133	6.9
111.08018	2.4
117.06949	4.3
119.08553	13.8
121.06477	11.4
121.10117	8.5
123.08035	5.2
123.11707	2.5
125.31966	1.9
131.08530	8.8
133.10124	9.8
135.08000	5.8
135.11659	3.4
137.09605	4.0
145.10086	5.4
147.11641	7.4
149.13170	2.2
151.11113	2.9
159.11705	3.1
161.13185	3.7
163.11118	13.1
165.12729	32.1
173.13220	5.8
175.14738	2.4
179.17477	2.1
191.14281	5.4
221.15294	3.2
233.05164	2.7
233.15353	4.0
261.22095	4.2
267.47610	1.9
278.88666	2.1
289.21576	67.1
290.21948	3.6
295.19083	5.3
327.26450	2.3
333.24054	4.3
351.25232	100.0
352.25668	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	351.2525
Annotation	2beta,3beta-Dihydroxy-ent-cativic acid
Peak:m/z	Relative Intensity
55.01858	2.2
55.05502	5.3
56.96553	2.5
57.07077	8.8
59.04983	2.2
61.02916	1.6
61.05523	1.0
67.05500	8.2
68.78367	1.2
69.07062	21.1
71.04964	1.4
76.02209	4.3
76.82124	1.1
79.05489	10.1
79.95990	1.1
81.03391	2.1
81.07049	12.3
82.07407	1.3
83.08591	3.2
84.04474	1.7
85.02882	1.5
85.06516	4.4
91.03942	1.4
91.05473	8.0
93.07037	22.2
95.04935	2.9
95.08593	10.3
97.02905	1.7
97.06522	2.3
99.08080	1.2
101.09637	11.7
105.07030	6.6
107.08585	22.0
109.06509	7.3
109.10157	5.1
111.08080	3.4
117.06981	1.2
119.08591	7.2
120.78889	1.1
121.06527	1.6
121.10139	8.8
123.08042	5.1
123.11723	1.2
125.09592	2.6
129.06958	1.1
131.08543	3.2
133.10104	4.5
135.08034	31.6
135.11662	3.8
137.05960	3.9
137.09564	2.3
139.07465	5.4
142.03099	1.2
145.10091	3.7
147.07893	1.2
147.11639	2.0
149.09579	4.6
149.13234	5.5
150.06747	1.7
152.08345	2.5
153.09023	1.7
157.10074	2.0
159.11642	2.4
161.09602	2.7
161.13263	1.5
163.11252	1.7
165.09090	20.7
165.12772	2.3
171.11700	1.2
173.13245	1.5
175.11276	1.4
177.12674	6.4
179.14247	4.6
181.14386	1.5
181.15837	10.1
191.14281	4.8
195.25859	1.1
199.14900	1.5
203.14305	1.2
209.15370	12.3
212.04016	1.1
221.90848	1.1
235.16791	2.1
263.16330	4.2
267.09006	1.4
277.21347	1.6
291.23090	1.5
292.50537	1.3
301.21533	2.2
317.17725	1.7
319.22635	100.0
320.22998	5.3
335.18848	1.3
351.25327	15.8
352.25290	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01864	3.3
55.05503	21.5
57.03437	15.1
57.07056	4.7
59.76459	1.3
61.79836	1.5
61.86643	1.5
67.05496	52.9
68.57706	1.5
69.03415	1.9
69.07054	17.7
70.13730	6.5
71.04969	2.9
71.08620	56.8
79.05480	49.2
81.03413	10.8
81.07044	54.4
83.04968	9.4
83.08608	12.6
84.61300	1.5
85.06541	3.3
91.05470	34.2
93.07027	64.5
95.04935	12.2
95.08589	41.1
97.06503	12.0
97.10165	4.0
99.08081	38.1
105.04506	1.6
105.07008	25.6
107.04956	8.0
107.08577	36.4
109.06494	4.7
109.10126	15.7
111.08056	4.7
113.09619	2.8
115.05466	1.9
117.07004	5.6
119.08568	23.8
121.06452	1.9
121.10118	26.0
123.08028	3.2
123.11674	3.5
127.11164	2.0
129.07016	2.9
131.08583	7.4
133.10114	17.6
135.11678	36.9
137.09618	3.2
141.09100	4.2
143.08574	4.1
145.10123	5.8
147.11665	8.3
149.13258	10.5
151.11168	18.2
153.12666	2.8
157.10088	3.9
159.11678	5.8
161.13240	16.3
163.11194	7.4
163.14792	2.9
165.12672	2.5
167.10660	2.0
171.11690	3.9
173.13164	3.6
175.14798	4.1
177.12737	4.6
179.14285	100.0
180.14700	1.9
185.13310	2.8
195.13722	2.7
199.14801	2.4
235.16855	7.6
241.19402	2.1
259.20538	7.6
277.21594	34.5
278.56763	1.8
340.45944	1.7
351.25284	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	1.3
54.29987	1.1
55.05503	14.0
57.03416	4.8
57.07054	4.3
62.50793	1.5
65.03931	2.1
66.16429	1.2
67.05495	98.5
69.07056	12.2
70.23783	6.4
71.04981	3.2
71.08616	2.8
75.04469	1.7
79.05480	39.6
81.07047	100.0
83.08614	7.4
85.06509	2.9
91.05461	16.0
93.07033	51.7
95.04948	4.5
95.08593	76.0
97.06519	4.3
97.10152	3.9
99.08028	3.0
105.07018	16.9
107.08582	37.5
109.06507	1.8
109.10139	39.3
109.10891	2.2
111.08123	1.4
113.09634	1.3
117.07034	7.5
119.08572	12.4
121.10119	31.3
123.08064	1.5
123.11693	19.4
131.08545	15.9
133.10100	11.4
135.11679	24.7
137.09633	1.6
137.13257	7.0
139.11163	1.7
142.58421	1.3
145.10100	13.9
147.11667	11.3
149.09578	1.6
149.13245	18.7
151.14798	4.0
153.12794	1.8
159.11668	14.7
160.00854	1.4
161.13248	9.2
163.11165	1.6
163.14764	12.0
165.12775	2.0
173.13220	14.6
175.14842	3.1
177.12737	2.1
177.16344	4.7
179.14211	1.4
187.14711	9.4
189.72279	1.2
191.14343	1.6
201.16397	2.8
203.17801	1.3
205.15710	1.6
219.17412	1.7
221.60170	1.2
233.22609	4.0
243.21030	20.4
261.22107	97.2
262.22382	2.5
263.23599	2.3
279.23233	6.8
286.45844	1.2
322.31494	1.3
335.25769	9.6
349.29752	1.7
353.26813	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.5
55.01860	1.5
55.05511	14.3
57.03421	4.5
57.07058	5.8
65.03928	2.8
67.05496	89.5
67.89053	1.4
69.07062	12.8
69.22611	10.1
69.23036	5.4
71.04977	4.2
71.08630	2.3
73.02892	1.3
79.05484	49.5
81.07046	100.0
83.08603	5.7
85.06523	2.7
91.05468	25.0
93.07030	65.0
95.04965	3.6
95.08592	70.0
95.88223	1.5
97.06517	3.7
97.10155	3.6
105.07007	21.5
107.08581	41.6
109.06547	1.6
109.09451	2.8
109.10144	38.7
111.08056	1.9
113.09571	2.4
117.07005	11.0
119.08559	20.9
121.10126	33.8
123.08047	1.5
123.11681	20.3
131.08545	26.5
133.10104	11.1
135.11678	29.4
137.09598	1.6
137.13257	7.0
142.52480	1.5
145.10120	18.1
147.11690	11.0
149.13251	20.8
151.14778	2.5
153.12791	1.9
159.11687	14.4
161.13255	10.2
163.14816	11.8
165.16420	1.6
173.13242	15.1
175.14781	3.3
177.16380	2.8
179.14233	1.7
187.14819	7.9
189.16333	2.2
201.16359	2.5
233.22679	4.3
243.21051	21.4
261.22098	86.2
262.22385	4.1
279.23123	3.9
335.25839	4.9
353.26749	19.3
370.49863	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.05500	13.7
57.03419	4.3
57.07057	6.5
65.03939	3.6
67.05493	98.7
69.07056	16.9
71.04971	2.5
71.08610	5.6
74.90364	1.8
75.04498	1.7
79.05044	3.5
79.05479	52.5
81.07043	100.0
82.46034	1.7
83.04964	2.0
83.08594	7.6
85.06519	5.2
91.05460	29.2
93.07030	72.1
95.04967	4.9
95.08588	75.9
97.06513	4.4
97.10180	3.5
99.08079	7.1
103.82776	1.7
104.84548	1.8
105.07020	17.8
107.08569	42.1
109.06470	2.1
109.10136	33.3
111.08036	2.3
113.09586	2.3
117.07009	10.6
119.08558	14.8
121.10122	31.4
123.07973	2.6
123.11673	15.4
125.09594	2.0
126.52245	1.8
131.08549	27.3
133.10118	11.4
135.08009	2.4
135.11665	24.6
137.13232	8.4
143.08505	2.4
145.10097	16.0
147.11684	11.2
149.13235	23.7
159.11656	13.0
161.13243	7.6
163.11086	2.1
163.14810	15.7
173.13249	17.8
175.14780	3.4
177.12695	3.4
177.16405	5.0
187.14783	11.9
201.16342	3.5
217.19482	2.4
233.22632	7.8
243.21051	27.4
261.19330	4.2
261.22110	81.7
262.22537	4.0
269.72604	1.7
279.23257	2.9
287.55460	2.0
305.61057	1.8
335.25821	9.2
353.26816	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05502	14.1
55.76067	1.9
57.03420	6.8
57.07066	5.5
67.05498	95.7
69.07065	13.8
71.04983	2.7
75.94517	1.7
79.05483	42.4
81.07048	100.0
83.08610	6.9
85.06529	2.7
91.05476	22.6
91.83723	1.9
93.07034	58.3
95.04929	2.7
95.08592	71.5
97.06509	4.1
97.10168	2.8
99.08120	2.2
105.07004	20.7
107.08580	34.9
109.10139	37.3
117.07009	9.8
119.08546	11.9
121.10126	30.7
123.11698	24.5
131.08568	19.1
133.10112	11.5
135.11662	22.0
137.13243	11.6
145.10138	15.3
147.11670	11.4
149.13248	22.9
159.11679	12.1
161.13231	7.8
163.14799	9.3
173.13258	15.9
177.16408	4.6
187.14771	8.3
205.15941	1.9
229.32048	2.5
243.21135	18.4
261.22122	83.4
279.23181	3.1
283.82346	2.2
335.25992	10.1
353.26752	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30182	0.8
52.34361	1.0
53.03920	3.2
53.71061	0.7
55.05503	13.6
57.03434	5.2
57.07066	4.3
64.37011	0.7
65.03909	3.4
66.04657	0.8
67.05497	89.2
68.05820	1.1
69.06722	1.0
69.07056	12.1
69.89643	4.5
70.87902	0.6
71.04953	2.7
71.08592	2.3
75.04444	1.2
77.03889	1.1
79.05482	42.4
81.07047	93.6
83.04958	1.5
83.08600	5.7
85.06490	3.4
88.10837	0.9
91.05468	22.8
93.07032	62.1
95.04958	3.9
95.08595	67.8
96.08930	0.9
97.06486	2.8
97.10148	3.9
99.08062	2.4
105.06387	1.6
105.07021	19.9
107.08582	42.9
108.08920	1.0
109.06492	3.1
109.10139	38.5
111.08062	2.1
113.09612	1.6
113.66332	0.8
117.07005	11.0
119.08564	16.2
121.10125	33.6
121.11009	1.6
123.08015	1.3
123.11693	20.4
125.09602	1.0
129.06963	1.6
131.08554	20.6
133.09229	1.0
133.10117	13.2
135.11679	27.4
137.09552	1.6
137.13248	6.8
139.11111	1.4
143.08533	1.0
145.10101	15.6
145.11151	0.6
147.11688	11.4
148.39552	0.8
149.09607	1.0
149.13228	18.6
150.13432	1.2
151.11212	1.4
151.14842	2.0
153.12708	2.0
159.11679	14.1
161.13258	9.2
163.11186	1.0
163.14803	12.2
165.12717	1.4
171.11620	1.1
173.13242	18.4
175.14771	3.2
177.16400	4.9
179.14313	1.0
187.14803	8.5
189.16399	0.8
189.21327	0.7
191.14310	1.3
201.16350	3.1
205.15842	2.2
210.55800	0.8
214.55431	0.7
215.17920	1.7
219.17427	1.1
231.03253	0.7
233.22629	5.4
242.18965	0.8
243.21049	22.3
261.22110	100.0
262.22495	3.3
279.23074	3.7
291.23074	1.1
335.25735	6.6
353.26846	25.2
354.27682	1.4
371.96973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01515	1.6
53.03929	3.9
55.05497	15.6
57.03431	5.0
57.07070	4.5
60.20477	1.9
64.07561	1.7
65.03928	3.4
67.05500	82.5
69.07067	15.3
71.04993	2.7
71.50533	1.9
79.05045	2.6
79.05486	49.2
81.07051	92.4
83.08610	9.2
85.06522	3.5
91.05473	21.8
93.07039	66.1
95.08600	70.3
97.06532	5.8
97.10115	2.1
99.08051	3.4
105.07024	22.5
107.07939	3.1
107.08591	39.2
109.06438	2.2
109.10149	38.5
117.07024	9.4
119.08578	20.2
121.10126	40.4
123.11707	27.0
130.48976	1.9
131.08553	18.6
133.10118	18.7
135.11693	26.2
135.32686	1.7
137.13237	5.8
143.08521	4.3
145.10092	19.2
147.11699	15.1
149.09686	1.9
149.13240	20.8
151.14862	3.1
157.10110	3.4
159.11673	14.7
161.13222	10.0
163.14821	11.9
171.11636	2.8
173.13260	20.4
175.14842	2.9
177.16360	5.2
187.14796	11.0
195.11597	1.9
201.16478	4.5
209.13257	2.2
243.21075	20.2
261.22131	100.0
262.22507	4.3
279.23160	3.0
311.14288	3.3
311.17664	3.0
335.25708	3.7
353.19296	8.9
353.22702	3.8
353.27435	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	2.2
55.05499	14.9
57.03427	5.6
57.07071	4.7
57.24393	0.8
65.03928	3.6
67.05494	97.1
68.05814	1.0
69.03369	1.0
69.07058	13.1
71.04968	2.7
75.04469	1.5
75.76099	0.7
79.05479	38.9
81.07044	100.0
82.07374	1.1
83.04965	1.5
83.08600	8.5
85.06516	2.2
91.05463	20.3
93.07028	51.6
94.07336	1.3
95.04954	2.7
95.08593	75.3
96.08901	1.0
97.06515	3.4
97.10147	3.6
104.59623	0.8
105.07009	14.4
107.08577	35.1
107.35766	0.9
109.06492	1.3
109.10141	40.4
111.08031	1.1
111.11667	1.4
113.09605	1.7
117.06991	8.3
119.08572	15.3
121.10126	29.5
123.08017	1.7
123.11684	23.0
131.08542	19.1
133.10118	12.2
135.11665	23.4
135.12685	1.3
137.09592	1.5
137.13232	10.2
139.11234	1.3
145.10106	17.3
147.11667	11.1
149.09602	0.9
149.13232	17.3
151.14828	3.0
153.12750	1.1
159.11685	14.0
161.13246	10.3
162.98473	0.9
163.11169	1.2
163.14818	12.5
165.12755	1.4
172.89447	0.8
173.13231	16.1
175.14815	2.0
177.12715	1.1
177.16341	4.0
179.14258	2.0
187.14786	7.7
191.14262	1.8
201.16342	2.6
205.15866	0.8
209.15111	0.9
215.17940	1.4
219.17464	1.3
233.22578	3.7
243.21057	22.5
261.22101	86.5
262.22510	2.5
279.23102	5.4
335.25714	9.8
353.26840	19.2
354.27148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
53.70884	3.9
55.05489	15.6
57.07068	6.2
67.05498	96.5
69.07055	16.9
71.54153	8.2
79.05487	54.2
81.07045	100.0
83.08601	8.6
87.16250	4.1
88.07596	4.6
91.05470	33.3
93.07034	74.2
95.04968	5.2
95.08597	80.5
97.10130	4.4
99.08092	4.8
105.07031	24.2
107.08574	41.7
109.10142	36.7
111.08015	7.0
114.35092	4.7
117.07001	14.1
119.08559	21.0
121.10128	42.9
123.11700	15.8
126.29653	3.6
131.08522	26.2
133.10133	17.2
135.11676	29.7
137.13225	9.6
143.08517	7.2
145.10123	18.6
147.11662	23.3
149.13232	28.3
159.11711	18.4
161.13249	13.4
163.14827	13.5
171.11670	7.0
173.13248	17.4
183.11598	5.4
185.13223	7.1
186.37166	4.6
187.14830	13.8
197.13162	5.7
243.21049	24.9
258.19299	4.4
261.22101	90.1
353.24612	22.7
354.33463	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	353.2834
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
53.07424	1.5
55.05491	5.1
58.49112	1.6
59.04690	1.4
59.04970	6.2
59.05230	1.7
67.05493	15.2
69.07047	4.8
69.38658	5.1
69.39081	8.1
79.05479	8.8
81.07037	12.4
83.08597	1.9
83.18782	1.4
87.17329	1.6
91.05480	10.3
93.07037	21.6
93.19913	1.5
95.08602	15.9
97.10129	2.3
98.20768	2.5
105.07018	23.8
106.60826	1.3
107.08588	21.8
109.10147	31.3
117.07027	2.1
119.08563	19.3
121.10114	12.4
123.11703	4.3
125.09591	2.7
128.24655	1.5
130.13275	1.7
131.08556	6.6
133.10118	29.1
135.11674	32.7
135.54497	1.5
143.08517	4.8
145.10097	12.5
147.11688	12.1
149.13213	6.0
157.10117	10.6
159.11662	12.2
161.13225	15.6
163.14758	3.8
167.08496	1.9
169.10081	3.9
171.11658	6.9
173.13229	6.4
175.14784	8.7
177.16481	1.8
183.11711	3.8
185.13271	3.2
187.14807	6.8
189.16414	1.8
197.13402	2.9
199.14784	6.3
201.16341	5.1
213.16403	2.6
215.14307	2.8
215.17986	2.3
217.15897	3.0
225.16370	5.6
227.17877	3.6
231.17474	2.1
239.17897	1.9
243.17386	3.3
243.21100	2.2
245.18977	2.9
253.19383	2.7
257.18869	2.6
267.21024	2.4
283.20547	3.1
295.24261	6.4
297.22070	3.7
311.23566	1.8
335.27127	8.0
353.28336	100.0
354.28564	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	354.3363
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03924	1.7
55.05509	15.8
57.07072	19.3
58.02945	2.4
58.06594	18.2
60.04521	37.6
64.55391	1.3
67.05494	12.0
69.06705	2.1
69.07060	31.7
69.99277	8.0
70.02934	4.7
70.06591	10.8
71.04987	3.0
71.08615	12.1
72.04506	3.1
72.08135	1.9
74.06068	2.2
79.05482	3.4
81.07050	23.1
82.06571	2.2
82.33698	1.3
83.04980	2.3
83.08614	16.9
84.08137	8.9
85.10168	6.0
86.06064	6.3
87.06831	2.9
88.03932	1.3
91.05762	1.5
93.07048	1.8
95.08602	24.5
97.10162	15.1
105.07031	1.6
107.08569	5.1
109.10147	15.6
111.11726	9.1
112.07571	1.8
121.10158	1.8
123.11678	5.7
125.13177	2.2
133.10069	1.9
137.13258	2.5
151.14836	1.9
157.60315	1.4
268.29956	11.6
294.31601	4.0
306.31512	4.3
307.29813	1.9
308.33139	5.4
310.30933	5.3
312.32745	2.8
326.34131	6.0
336.32651	13.8
354.33621	100.0
355.33981	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	355.1016
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.56921	0.7
70.99400	2.1
71.22737	0.7
79.05472	1.3
83.04987	1.1
89.03387	1.0
89.03906	10.6
95.04935	0.6
98.15913	0.7
107.04922	2.5
108.07509	0.6
117.03365	12.1
127.98229	0.7
135.04391	20.6
145.02837	14.1
163.03882	100.0
164.04248	0.9
193.68733	0.6
218.75975	0.7
282.18909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
55.01855	1.3
70.64971	2.2
77.03893	0.7
79.05469	2.7
81.07046	0.8
83.04953	0.8
91.05457	13.2
93.07018	1.0
95.04936	2.0
103.05436	4.4
105.07019	7.9
107.04929	5.3
109.06503	1.6
111.04455	0.8
113.66969	0.7
115.05439	5.3
116.06248	0.9
117.07018	3.1
118.04116	1.7
119.04913	3.3
119.08511	1.5
121.06512	4.0
123.08067	0.7
128.06187	5.3
129.06993	12.2
131.04912	11.7
131.08539	4.1
132.05669	2.1
133.06468	2.5
135.08035	5.0
137.05960	14.2
144.05672	0.9
145.02821	1.0
145.06448	5.1
146.03578	3.0
146.07217	2.6
147.04364	1.5
147.08022	7.6
148.05162	2.4
149.05936	4.3
151.07526	8.7
153.27992	0.6
155.06024	1.0
157.06482	9.9
158.07230	1.2
159.04388	1.3
159.08006	2.4
160.05183	4.8
161.05957	100.0
161.09567	6.1
162.06226	3.0
163.03874	1.3
163.07521	14.4
165.05434	0.9
165.06938	1.5
165.09091	4.1
173.05766	0.8
174.06747	6.0
175.03958	1.8
175.07523	68.0
176.07895	1.8
177.09090	1.7
178.07771	1.8
179.08461	1.0
180.09160	0.7
185.05975	1.7
185.09521	0.8
187.07539	2.3
189.07144	2.1
189.09076	35.1
190.07634	0.6
190.09421	1.5
191.07011	0.7
191.08485	3.1
193.06418	0.8
193.08531	1.7
193.10135	0.8
195.08057	1.1
199.07455	1.6
202.07768	2.1
203.08438	1.0
205.06535	4.0
205.08253	1.0
205.10146	1.0
206.07231	2.6
207.08194	1.1
207.10085	6.9
208.08812	1.8
209.09561	0.8
213.09064	2.4
217.06412	1.2
217.10019	1.7
218.07213	3.1
219.08014	6.2
220.08801	2.4
221.05966	2.1
221.09561	2.6
222.06549	0.9
223.07478	0.8
223.11172	2.2
231.07990	1.6
233.05914	1.6
233.09621	1.5
234.06732	6.0
234.10353	1.9
235.07497	3.8
236.08202	4.0
237.09023	2.0
238.10118	0.7
245.05952	3.5
245.09615	4.2
246.10397	1.9
247.07523	5.8
248.08261	3.0
249.05486	1.4
249.09085	11.6
249.12744	0.7
250.06255	0.8
251.06975	2.3
251.10625	11.6
253.08548	1.5
259.07343	0.8
261.05710	0.6
261.09116	2.1
262.06146	3.2
262.09836	2.7
263.06985	3.7
263.10510	0.8
264.07773	4.2
265.08539	2.7
265.12030	0.8
272.08490	0.6
273.09079	2.7
274.09735	0.7
275.06934	0.8
276.07849	1.1
277.08569	12.7
277.12167	8.6
278.09198	1.7
278.12430	1.0
279.06650	1.8
279.10123	11.8
280.10721	2.9
281.08026	2.6
283.13187	1.7
285.00824	0.8
290.09189	0.8
291.10159	2.2
293.08038	5.6
293.11719	1.9
294.08768	2.7
295.13278	1.3
296.10376	4.7
305.11652	7.5
306.12192	1.0
308.10370	1.2
309.11209	13.7
311.12735	44.3
312.13168	2.7
323.12634	3.2
325.14267	1.6
337.14233	8.9
355.11267	1.2
355.15308	15.9
356.15570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01849	1.2
55.05503	2.4
58.33049	1.2
65.23415	1.2
67.05482	1.5
69.07065	2.5
69.88370	6.8
73.04707	2.0
79.05486	4.3
81.07046	3.6
83.04961	2.1
89.03911	3.2
91.05438	15.9
93.07053	3.1
95.04951	5.8
95.08575	4.0
97.06518	1.1
97.10153	1.3
103.05464	5.3
105.07027	9.4
107.04942	8.3
109.06527	3.2
109.10146	2.0
115.05435	7.2
117.03386	4.1
117.07021	4.2
118.04153	2.1
119.04943	2.0
119.08568	2.8
121.06511	4.3
121.10155	1.9
128.06219	5.1
129.07004	11.5
131.04915	9.9
131.08533	3.1
132.05725	2.6
133.06468	3.3
135.04410	9.2
135.08018	7.0
137.05960	17.0
143.04921	1.5
144.05684	1.3
145.02834	4.2
145.06531	5.9
146.03589	3.3
146.07228	1.3
147.04401	2.3
147.08047	9.9
147.11644	1.2
149.05952	4.6
151.07535	14.0
155.81042	1.1
157.06461	10.8
159.04401	2.1
159.08031	2.4
160.05197	4.9
161.05968	100.0
161.09554	6.5
162.06273	2.6
163.03894	41.0
163.07527	14.8
164.04175	1.5
165.05540	1.6
165.06960	1.2
165.09103	4.8
173.05916	1.6
174.06740	7.0
175.07532	71.8
176.07884	2.4
177.09081	2.5
178.07739	3.3
179.08611	1.3
185.06000	1.9
187.07597	2.2
189.07332	1.5
189.09076	34.5
190.07874	1.6
190.09479	1.2
191.08533	2.9
193.06517	1.4
193.08597	2.2
193.10179	1.7
195.08054	1.6
199.07530	2.1
202.07817	2.2
203.08554	1.7
205.06493	4.4
206.07236	4.1
207.08279	2.2
207.10175	7.4
208.08839	3.4
213.09018	2.2
218.07288	2.5
219.08009	6.2
220.08896	4.0
221.05933	5.5
221.09528	2.6
222.06641	1.7
223.11107	3.5
225.08989	2.0
231.07893	1.2
234.06813	6.7
234.10481	1.6
235.07394	4.3
236.08282	3.5
237.09062	1.7
239.04887	1.4
245.05994	3.6
245.09624	3.6
246.06847	1.3
246.10316	2.4
247.07565	5.0
248.08301	2.8
249.09105	12.2
251.07022	3.0
251.10611	13.2
253.08699	2.3
259.07578	1.1
259.11200	1.1
261.09119	2.5
262.06250	4.0
262.10089	1.9
263.07004	2.4
264.07776	4.0
265.08557	4.1
273.09036	2.8
275.06891	1.3
277.08582	13.0
277.12192	8.2
278.09189	2.7
279.06760	2.1
279.10129	12.4
280.10635	2.5
281.08206	2.7
283.13214	1.9
291.10095	3.3
293.08017	2.9
294.08719	2.6
296.10391	7.0
305.11600	6.8
308.10324	1.3
309.11188	13.7
311.12744	50.9
312.13104	2.5
319.22559	1.8
323.12793	2.7
325.63968	1.1
337.14316	8.3
355.11862	1.2
355.15405	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1722
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.63500	0.5
55.05502	1.0
57.91167	0.5
59.63205	0.5
63.47448	0.5
70.07036	2.7
73.04737	1.2
79.05452	0.6
81.07024	0.9
83.04946	0.5
83.08617	0.6
85.02853	0.6
91.05803	3.9
93.07043	0.6
95.08617	1.2
100.07626	0.9
100.11257	1.1
107.08609	1.0
111.04419	1.5
117.03368	0.7
119.08507	0.7
126.54694	0.5
128.07085	1.0
131.08484	0.8
135.04384	1.4
137.06000	1.4
145.02783	0.7
161.02849	0.6
161.05951	1.0
163.03908	6.3
163.11180	0.5
163.21953	0.6
175.07559	0.8
179.60172	0.5
182.15338	2.7
201.03600	1.4
203.05240	0.9
210.14941	2.5
228.16002	0.6
239.95770	0.5
285.01053	1.4
309.74622	0.5
311.12842	1.1
337.21002	0.9
355.17239	100.0
356.17633	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.41503	2.1
55.01859	2.7
55.05504	35.2
57.03434	14.5
57.07067	13.3
65.03922	2.5
67.05495	76.2
69.07060	49.2
69.88256	12.6
71.04987	3.4
71.08614	7.8
74.96118	2.2
75.84575	2.8
79.05494	26.6
81.07047	100.0
83.04961	4.8
83.08614	33.7
83.43608	2.4
85.06520	4.7
85.10167	2.8
91.05441	22.2
93.07035	31.7
95.08593	81.4
97.06534	9.5
97.10162	21.0
99.08088	2.9
103.03929	2.7
105.07042	16.5
107.08570	23.0
109.10147	37.9
111.08075	5.3
111.11701	5.0
113.09681	2.8
119.08556	18.5
121.10122	24.8
123.11701	19.5
125.09609	2.5
129.05446	3.2
133.10106	20.7
135.11688	16.4
137.09457	2.5
137.13278	8.8
147.11682	15.8
149.13252	12.6
151.11203	4.5
151.14827	5.9
161.13231	13.0
163.03969	3.0
163.14807	13.7
165.12762	2.5
165.16360	6.5
175.14822	10.1
179.17940	4.6
189.16443	6.4
245.22653	41.8
246.23004	3.6
263.23672	39.4
286.48111	2.3
337.27325	26.2
341.01294	2.2
355.28302	18.6
362.58267	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	356.3517
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05505	9.9
57.07074	1.8
58.06593	0.7
62.06082	0.5
64.92319	0.3
64.96788	0.3
67.05484	0.6
68.05010	0.6
69.07059	7.9
69.26175	2.5
70.06586	13.8
71.08611	0.5
78.62488	0.3
81.07043	0.4
83.08612	4.5
88.07622	17.5
92.05179	0.3
97.10158	1.2
98.20704	0.5
102.09167	5.0
106.08653	9.0
122.00774	0.3
167.06885	0.3
173.36812	0.3
222.34389	0.3
284.43286	0.3
301.60687	0.3
312.32419	0.5
338.34088	5.9
339.34479	0.4
356.35178	100.0
357.35538	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	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03937	2.5
53.18301	2.5
55.01860	18.7
55.05494	6.6
56.96556	3.4
57.03418	2.8
61.02915	4.5
61.25017	2.1
65.03918	4.3
67.05473	8.2
69.03395	7.9
69.07037	6.5
70.14699	8.7
71.04987	3.7
73.02895	4.2
79.05492	13.7
81.03388	7.4
81.07047	21.1
83.04984	3.8
83.08595	4.7
85.02893	8.8
91.05413	12.7
93.07020	9.4
94.04172	6.5
95.04951	7.0
95.08589	14.4
96.94369	2.7
97.02886	4.9
97.06548	3.0
98.97559	3.3
102.04665	3.2
103.05460	6.7
104.83681	2.7
105.07004	11.9
106.04219	2.6
107.04918	7.3
107.08558	9.2
109.06502	7.9
109.10132	6.9
111.04424	7.1
111.39620	2.5
115.05425	8.8
117.03380	4.1
117.07019	4.7
119.04898	3.5
119.08584	2.7
121.06493	7.8
121.10143	5.9
122.03616	13.6
125.05962	4.9
127.03867	3.0
129.06953	3.1
131.04907	9.7
132.36230	2.4
133.06497	5.9
133.10126	5.3
135.08008	3.6
137.05959	100.0
139.11180	4.3
143.04857	3.6
144.05583	2.6
145.06549	2.9
146.03610	5.5
147.04395	9.9
147.07994	3.6
147.11693	4.4
149.05972	11.4
149.13176	2.5
151.03891	6.3
153.05453	7.1
155.04797	5.3
157.10136	3.0
160.05167	3.9
161.05969	30.2
162.06718	8.3
163.07539	3.9
165.05505	37.9
165.06958	6.4
167.07063	4.7
169.04944	2.5
171.04314	3.4
175.07538	9.7
177.05475	22.6
179.08496	6.0
181.06586	2.9
183.04405	3.1
184.05060	2.6
187.07529	9.8
189.07024	11.1
190.07756	14.7
191.08589	16.5
200.04633	2.7
202.07716	6.5
203.07063	13.4
203.08681	3.2
205.06490	7.4
205.08490	4.4
206.07172	4.9
207.08040	11.2
208.08801	7.7
209.09357	2.4
215.06985	10.5
217.06487	4.8
218.07227	24.2
219.08017	31.8
220.08748	5.5
221.05974	7.6
221.09512	2.8
223.07465	3.0
224.08331	2.9
229.06519	7.5
233.05980	3.9
233.09650	4.2
234.06721	11.5
235.07439	16.5
236.08264	9.9
237.09436	2.9
242.07358	3.0
245.05899	3.7
245.15201	2.6
246.06761	18.3
247.07497	38.8
248.08157	3.5
249.09134	11.0
250.06274	3.9
250.09842	2.6
251.06900	4.1
251.10599	4.8
253.08649	4.0
257.05905	7.9
258.06720	6.4
259.07858	5.0
261.09116	39.4
262.06387	4.9
263.07028	20.4
264.07706	14.4
265.08530	9.0
267.09314	8.5
268.07040	3.1
269.08023	2.6
274.06262	21.7
275.07016	17.7
277.08542	23.4
278.09241	8.7
279.06448	2.4
279.10120	15.6
283.09354	3.0
285.09976	12.3
288.07803	2.6
289.08575	48.2
290.09299	7.4
291.06485	7.6
292.07449	5.7
293.08008	3.1
293.11469	2.8
294.08832	10.3
295.09558	7.4
297.11343	3.2
303.23108	3.5
306.08997	11.3
307.06137	4.4
307.09622	86.9
308.10110	5.5
309.07831	4.1
309.11218	16.2
321.11163	58.4
327.12177	24.9
339.12195	33.5
339.23184	4.9
357.13373	14.2
357.24249	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36589	4.0
55.05505	34.2
56.96552	13.5
57.03410	5.5
57.07063	4.8
64.73238	3.9
67.05496	41.6
69.03439	21.1
69.07061	37.9
71.04969	10.1
71.56390	5.2
77.11977	3.8
79.05489	37.9
81.03401	17.5
81.07049	100.0
83.04959	10.8
83.08598	12.3
85.02885	20.7
85.06552	5.3
87.04414	3.7
91.05463	14.3
93.07039	68.1
95.04965	24.4
95.08591	84.7
97.02859	11.8
97.06525	12.1
97.10173	26.2
99.04438	4.6
101.05997	6.8
103.05461	6.3
103.36754	3.8
105.07025	46.8
107.08586	54.7
109.02869	7.8
109.06506	9.8
109.10143	51.6
111.08068	9.3
115.67966	3.9
116.04944	4.1
117.07006	11.6
119.08566	33.8
121.06502	5.0
121.10117	42.2
123.08133	7.9
123.11700	37.6
125.09590	9.1
127.03913	10.8
131.04912	5.5
131.08536	12.9
133.10139	27.7
135.04414	4.0
135.08005	6.3
135.11682	36.4
137.05962	91.2
137.09619	8.4
138.06232	5.2
139.11157	15.3
141.12692	4.4
143.10643	4.3
145.02785	4.5
145.04950	5.3
145.10114	12.7
147.04376	5.8
147.11676	36.6
149.01157	4.5
149.13255	18.3
151.03935	6.6
151.07510	19.8
151.11104	12.1
153.12735	7.7
155.10542	7.2
157.12183	4.8
159.11670	16.0
161.09518	4.4
161.13290	9.8
163.07506	12.6
163.11218	8.7
165.05447	5.4
165.12755	10.8
167.07016	10.5
169.12265	5.1
171.11659	3.9
172.03935	15.1
173.13364	9.3
175.07500	5.8
175.14842	9.8
177.05434	10.0
177.12779	5.2
183.13791	4.7
187.14787	6.8
191.14319	4.3
195.13684	4.8
204.06476	21.7
207.13715	4.0
209.15320	8.0
254.15222	5.2
255.20969	5.7
280.11847	5.5
285.22168	7.3
291.23071	17.1
303.23172	32.6
317.16910	14.6
317.67029	5.1
321.24240	18.5
326.17484	5.4
339.12015	4.6
339.25317	9.2
357.13083	16.8
365.19647	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	357.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.6
55.05508	31.5
57.03419	5.0
57.07067	6.0
67.05505	31.1
68.12194	3.6
69.03412	14.8
69.07057	50.3
70.09155	9.0
70.09555	16.2
71.04975	8.7
79.05476	24.2
81.07045	100.0
83.04965	4.2
83.08602	12.5
85.02882	5.1
85.06506	11.3
91.05463	16.7
93.02915	4.0
93.07029	59.3
95.04992	19.8
95.08599	77.3
97.06514	9.4
97.10152	36.3
99.08072	4.1
101.06035	4.9
105.07018	38.8
107.08582	46.2
109.06506	13.8
109.10140	46.5
111.08044	13.1
111.11708	10.6
114.16534	3.7
119.08545	28.1
121.10133	43.8
122.03726	4.5
123.11686	43.5
125.09631	11.0
131.04872	4.2
131.08513	7.6
133.10101	24.5
135.11696	36.2
137.05959	17.0
137.09583	5.7
137.13223	8.0
139.11169	14.6
143.10690	7.8
145.10091	12.1
147.11673	28.7
149.13203	15.8
151.03882	9.0
151.07489	5.0
151.11197	6.9
153.12709	14.5
157.12224	8.8
159.11661	13.6
161.13213	12.5
163.07579	3.8
163.11174	11.8
163.14764	4.9
165.12756	9.4
169.12206	4.1
173.13255	7.9
175.14827	5.1
177.12674	5.3
187.13268	7.4
187.14725	7.0
191.14262	4.6
201.16425	4.4
205.16096	4.4
209.15289	8.3
257.22723	5.8
267.21036	4.5
275.23810	5.5
277.08362	5.4
285.22147	5.3
291.23151	14.4
297.11200	5.5
303.23227	41.8
321.24167	24.9
327.12274	6.5
339.12207	8.1
339.25174	11.6
357.13318	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55888	1.2
56.96569	1.3
59.05100	1.2
67.05484	1.8
69.03413	3.9
70.06551	2.4
70.41829	2.6
70.42233	2.3
73.02896	1.5
83.04967	2.2
85.02900	6.6
97.02864	2.2
111.04436	1.7
119.01836	1.5
124.90781	1.4
127.03852	1.8
131.01849	1.5
142.14040	1.5
145.03456	1.6
147.04385	3.9
163.03870	2.1
178.08557	2.7
196.03696	100.0
196.09593	2.0
215.03969	2.1
358.08936	76.6
358.13864	2.4
359.09451	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	359.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43244	0.6
55.01876	0.6
57.03415	0.7
61.02918	1.3
69.03422	1.2
71.20695	1.2
79.05475	0.8
81.03453	0.6
83.06087	1.1
85.02892	6.4
86.03562	0.7
91.05477	1.9
93.07034	2.3
95.05006	0.7
95.06042	1.0
95.08582	1.3
97.02870	2.0
104.04929	0.7
105.05741	1.2
105.07019	1.6
107.08600	4.1
108.40671	0.7
109.06519	0.7
109.10138	0.7
111.05518	4.0
114.13518	0.7
120.04421	4.1
121.06513	0.9
123.05560	1.5
123.08085	0.9
125.05845	1.4
126.06624	1.9
127.03875	1.3
130.06552	0.8
132.04437	26.5
133.10118	5.4
134.06007	6.0
135.11688	5.3
137.04669	2.0
137.05847	1.4
145.04948	0.9
147.04352	0.9
147.54013	0.7
151.06136	11.7
156.00380	0.6
161.09621	3.1
164.07056	2.2
175.40982	0.6
177.04112	1.0
178.06258	1.0
179.10637	10.1
179.14235	1.1
194.06761	5.4
195.07556	1.3
197.11707	25.4
202.09727	2.1
230.09172	1.7
242.09174	4.9
245.09253	1.3
257.10287	5.7
259.11896	12.0
269.04462	1.3
284.11356	4.4
301.07211	1.0
302.12433	15.8
327.12143	2.2
329.06479	4.2
344.08829	1.4
345.13025	100.0
346.13229	2.2
347.13251	0.6
359.10989	8.2
359.14078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78193	2.3
55.01855	3.3
60.04529	3.6
71.52996	5.2
81.07021	3.0
91.05469	8.0
93.07022	4.4
95.04925	4.8
103.05442	6.2
105.07021	5.7
107.04907	4.1
109.06493	10.4
115.05424	8.3
121.06474	9.1
122.03597	7.2
131.04883	4.5
133.06459	8.1
137.02336	21.6
137.05954	92.6
139.03886	4.2
143.04897	9.9
146.03632	3.2
147.04366	8.4
149.05936	11.4
151.03876	9.8
151.07492	5.0
153.01787	7.0
153.05469	3.2
155.04909	3.9
161.05965	41.6
162.06688	10.5
163.07501	10.9
165.05646	2.5
165.06960	13.1
166.07753	8.2
173.03909	2.7
175.07512	14.7
177.06914	4.8
178.07779	7.0
179.08533	11.3
180.09341	3.9
181.06439	3.4
187.07494	8.2
189.07024	4.5
190.07785	10.8
191.03317	3.7
191.08522	35.8
193.06471	11.4
194.07260	36.2
195.07916	3.8
203.08463	7.0
205.06479	15.3
207.08031	17.3
208.08771	10.8
209.05823	3.6
209.09589	5.4
210.06764	4.5
211.07562	4.9
218.07175	6.0
219.08006	53.0
220.08795	10.3
221.05989	16.3
221.09462	6.4
222.06752	21.9
224.08330	5.1
225.09061	6.3
227.07018	3.5
231.08051	5.1
233.05798	3.4
234.06744	4.9
235.07576	15.5
236.08229	19.0
237.09097	21.6
239.06923	4.1
239.10643	12.5
241.04625	3.0
245.04094	3.4
247.07475	30.7
248.08246	10.8
249.08983	5.3
250.06319	5.8
250.09862	3.8
251.06970	3.2
251.10664	21.4
252.07657	3.5
253.08536	7.8
263.10629	6.5
264.07767	15.9
265.08575	68.7
266.09085	4.3
267.10123	12.3
270.08496	3.2
273.03970	5.6
274.04294	3.1
278.09317	3.2
279.10132	98.2
280.10864	13.2
281.08118	5.5
282.08856	4.3
285.11108	3.3
291.09995	8.7
295.09601	25.3
296.05087	3.0
296.10327	7.7
297.11182	84.2
298.11664	4.1
299.12732	41.6
300.04993	5.0
300.13474	3.0
301.03391	9.2
302.04123	11.2
309.11298	13.1
310.11917	25.5
311.12741	100.0
315.04825	6.0
318.06137	7.8
319.04407	9.9
329.06516	8.9
329.13779	8.0
341.13828	48.0
342.06113	18.8
359.11060	9.6
360.07217	18.5
377.01755	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	359.1487
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.53944	1.3
52.42431	1.1
54.54350	1.2
55.01857	2.1
60.41872	1.4
65.03918	4.6
67.05482	3.7
69.03428	1.3
69.07075	1.3
69.40815	10.7
74.43596	1.3
79.05489	2.2
81.03387	1.4
81.07049	2.6
82.04171	1.6
85.02883	2.2
85.07150	1.3
87.24800	1.2
91.05470	4.2
93.07033	1.5
95.04952	2.2
95.08606	2.6
97.06517	2.3
99.38819	1.3
105.06992	2.1
107.04948	5.2
107.08575	1.6
109.06473	1.5
109.10164	1.5
110.03666	3.9
111.04404	5.0
121.02859	12.3
121.06490	3.8
125.05962	6.2
128.06268	1.4
129.06963	1.7
131.04909	2.2
134.90639	1.5
135.04399	1.3
135.08047	5.7
137.06026	1.4
141.06920	1.8
141.77055	1.3
142.02660	1.7
144.05725	3.3
145.06436	2.8
147.04362	1.4
147.08011	2.2
149.02296	3.9
149.05939	1.5
151.07568	1.7
153.05443	6.7
153.06874	1.6
154.07751	2.1
159.08052	8.3
161.06033	2.8
161.09601	4.6
162.06761	2.0
164.74014	1.5
165.06952	5.3
166.07742	2.1
167.07030	6.4
167.08530	4.4
168.05695	2.1
169.06512	2.1
171.06526	2.8
177.06950	1.6
178.06276	1.4
178.07753	3.6
179.08429	2.6
179.71251	1.4
181.04938	25.8
181.06453	6.8
182.07295	3.8
183.08063	3.2
187.07629	1.5
190.07533	1.2
191.08672	1.8
192.09381	1.7
193.06558	2.2
193.10066	1.4
194.07281	5.2
195.08026	10.0
196.08745	2.2
197.05975	5.1
197.09557	3.2
198.06662	2.1
202.07831	1.7
203.08690	1.7
205.06487	2.2
206.07236	4.5
207.08038	3.4
209.05966	3.0
209.09622	3.9
210.06705	9.2
210.10416	1.4
211.07520	11.0
211.11047	1.6
212.08322	6.1
216.13992	1.4
219.08083	3.3
220.05109	2.2
220.08865	2.7
221.05980	1.7
221.09598	13.3
222.06783	4.4
222.10391	3.7
223.07510	14.9
223.11176	2.6
224.08302	8.4
225.05554	1.7
225.09024	7.7
227.07033	5.9
227.10695	4.4
230.05865	1.6
234.06787	4.4
235.07486	3.8
236.08308	1.6
237.05481	2.6
237.09113	10.7
238.06197	4.6
238.09862	11.4
239.06989	6.6
239.10605	2.5
240.07744	20.5
241.08519	5.0
242.05641	3.2
248.08319	2.4
249.09009	6.8
250.09900	1.5
251.07033	6.1
251.10765	2.9
252.07722	9.4
253.04752	2.0
253.05643	2.0
253.08588	38.5
253.12210	14.4
254.05789	1.7
254.09277	5.4
255.06551	7.3
255.10184	9.4
257.08081	11.7
265.08600	8.3
266.09363	5.6
267.06653	2.9
267.10126	9.7
268.07263	6.3
269.05078	2.2
269.08047	17.0
270.08817	5.1
271.09872	1.7
280.07419	1.6
281.08112	12.5
281.11734	13.8
282.08777	3.6
282.12006	1.7
283.06033	5.1
283.09628	24.1
284.07254	1.4
284.10349	5.4
285.07458	5.8
285.10928	2.6
295.09625	1.9
297.07587	9.3
297.11063	2.7
298.08301	11.8
298.11972	4.6
299.09399	2.5
299.12805	11.4
300.09860	25.4
301.07108	1.9
301.10419	1.9
309.11304	11.4
310.11832	4.2
313.10666	100.0
313.14328	72.3
314.11154	2.7
314.14709	2.3
325.10556	1.7
326.11478	8.3
327.08350	3.0
327.12231	48.0
328.12854	3.8
329.06506	11.8
331.15323	24.3
336.55121	1.6
341.13809	57.9
341.17953	2.8
342.13959	1.7
344.08871	4.4
359.11035	14.8
359.14899	92.9
360.15097	3.1
363.63165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1482
Annotation	Prestegane B
Peak:m/z	Relative Intensity
50.53583	1.3
57.03413	1.6
62.02710	1.3
67.05484	1.9
70.59796	3.7
73.08998	1.3
79.05489	3.2
91.05468	12.9
93.07033	3.8
94.02720	1.4
94.04187	2.3
95.04951	2.1
103.05456	7.9
105.07011	7.1
107.04927	2.9
107.08539	2.6
109.06514	7.9
109.07133	1.6
115.05463	9.3
117.07015	8.2
119.04890	4.4
121.06480	6.1
122.03609	4.6
123.04422	3.8
124.05128	2.1
125.05945	1.8
131.04910	4.7
132.05687	2.0
133.06450	3.5
135.07990	2.5
137.05959	100.0
138.06412	1.5
143.04922	10.9
144.05701	1.9
145.06474	3.1
146.03601	2.2
147.04396	7.2
147.08051	10.4
149.05991	12.0
151.03835	4.2
151.07510	4.4
153.05486	3.0
155.04904	2.9
157.06436	2.0
160.05176	11.4
161.05968	23.5
162.06755	3.4
163.07510	27.9
165.06920	9.2
166.07819	2.3
167.06967	1.6
167.08426	1.6
175.07526	56.8
177.09026	3.0
178.07745	5.8
179.07007	4.3
179.08551	10.0
181.06438	2.9
182.07205	3.1
187.07536	6.2
189.06903	2.4
190.07727	4.8
191.06989	4.9
191.08548	14.4
193.06473	3.6
194.07277	12.0
195.08029	1.7
203.08449	3.6
205.06467	6.5
205.08586	13.6
206.07291	2.4
207.07982	14.8
208.09557	5.4
209.09544	2.5
210.06696	4.6
211.07425	2.5
218.07164	3.6
219.08029	21.9
219.60591	1.6
220.08755	3.9
221.05942	6.8
222.06688	8.2
223.07469	4.4
224.08315	4.4
225.09119	6.4
227.06937	2.7
231.08138	2.2
233.05896	2.7
235.07463	8.8
236.08318	7.9
237.09096	12.4
239.06967	4.6
239.10660	10.4
241.08537	1.9
247.07539	9.4
248.08160	4.0
249.08957	1.5
250.06189	3.5
251.07065	3.4
251.10640	10.6
252.07648	3.3
253.08572	6.2
254.09290	2.0
255.06631	2.7
261.09134	2.5
263.07129	1.7
264.07779	6.8
265.08563	29.3
266.08890	1.5
267.10086	14.1
268.10693	1.8
269.08194	3.2
270.08875	3.2
279.10150	37.4
280.10873	4.1
281.08298	3.8
281.11588	1.9
285.11197	15.4
291.10043	3.6
295.09644	10.3
296.10321	2.9
297.11182	29.8
298.11490	2.4
299.12726	53.3
309.11118	3.1
310.11951	7.6
311.12738	42.8
315.12244	4.8
327.12247	5.7
329.06445	4.0
329.13837	16.3
341.13828	7.6
359.03796	1.8
359.11145	4.0
359.14899	30.9
360.14832	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79219	0.7
57.03420	1.1
59.04979	1.1
61.01079	0.6
61.02901	1.6
67.05499	1.8
69.03414	4.6
69.07067	1.0
70.06571	1.3
70.77884	0.7
71.04979	0.8
71.57218	1.0
79.05475	2.4
81.03408	2.3
81.07036	2.1
83.04922	0.8
85.02895	14.3
85.06522	1.1
86.09686	1.0
90.52591	0.7
91.05466	5.6
93.07043	7.5
95.04939	2.5
95.08604	1.2
97.02877	2.4
105.07018	9.0
107.04945	1.4
107.08588	21.4
109.02789	1.0
109.06461	1.7
109.10130	2.3
115.05458	0.9
119.08537	3.0
121.06480	3.3
123.04453	1.4
123.08028	2.3
123.11704	1.1
125.05994	0.8
127.03886	3.0
131.04906	0.8
131.08525	1.0
132.04431	4.0
133.10114	21.2
134.05994	0.9
135.08006	0.9
135.11678	21.7
136.12027	0.7
137.05949	3.7
137.09601	1.3
145.04939	2.3
147.04333	0.8
149.05956	1.2
151.06111	1.9
151.11182	2.2
153.01770	1.0
161.09618	9.8
163.03885	1.2
167.07135	0.8
178.06268	0.8
179.10649	37.2
179.14259	1.5
180.10986	1.5
197.00807	0.8
197.11713	100.0
198.02280	1.3
198.12042	4.3
238.78275	0.9
256.91000	0.8
258.05289	0.9
259.11783	1.4
269.04401	1.8
283.05981	1.0
301.07047	2.1
302.12460	1.9
329.06577	8.3
344.08890	3.1
345.13013	13.8
359.11157	14.2
360.05270	1.0
360.11551	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	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03420	1.4
61.02907	1.5
63.25820	0.7
64.76407	0.6
67.05482	2.2
69.03424	3.7
69.45129	2.7
69.45557	3.2
70.06548	1.0
79.05463	0.8
81.03402	1.6
81.07036	1.8
81.79092	0.7
85.02422	1.0
85.02898	13.8
91.05457	4.9
93.07032	6.4
95.04944	2.9
97.02901	3.6
98.20782	1.5
102.99778	0.7
105.07013	5.0
107.08582	20.7
109.02844	1.5
109.06509	2.1
109.10148	1.8
111.05557	1.1
119.08556	3.0
121.06490	3.0
121.10125	1.0
123.04388	0.9
123.08032	1.7
125.16842	0.9
127.03905	3.3
131.07249	0.7
132.04436	4.9
133.10115	22.5
134.06035	1.2
135.11676	21.5
137.04808	1.1
137.05965	2.3
137.09615	1.5
145.04962	1.7
151.06091	2.1
151.11166	2.1
161.09604	10.8
179.10649	37.0
179.14127	1.1
180.10999	1.3
197.11707	100.0
198.12035	2.2
259.11850	1.7
284.11188	1.3
302.12427	1.6
327.11703	1.0
329.06512	2.6
344.09174	0.8
345.13010	17.1
359.10858	3.8
360.05594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
61.02921	1.5
67.05472	1.0
69.03421	4.1
69.07063	0.5
70.74106	1.1
70.74435	0.6
71.04984	1.0
71.38294	0.5
73.02905	1.1
79.05478	2.4
81.03396	1.2
81.07043	1.8
83.04970	0.5
85.02896	8.4
86.09716	0.7
91.03904	0.6
91.05457	3.7
93.07033	5.6
95.04946	0.7
95.08588	1.6
97.02859	1.6
97.06521	0.8
105.07032	7.2
107.04966	0.5
107.08585	34.0
107.79531	0.5
108.08958	0.8
109.06518	1.3
109.10137	2.1
111.87755	0.5
119.08559	4.8
121.06509	0.7
121.10114	6.4
123.11656	1.1
125.09610	0.8
127.03883	1.3
131.08514	1.2
133.06490	0.7
133.10121	17.9
135.04355	0.6
137.05954	3.4
137.09592	0.8
139.03891	1.3
139.07568	1.3
145.04936	0.9
149.05916	0.6
149.09634	3.7
151.03932	1.3
151.07458	1.2
151.11163	7.3
153.01793	1.1
161.09595	5.8
163.03946	0.8
167.10663	12.4
168.10925	0.7
175.07458	0.8
179.10651	15.7
191.03358	2.4
191.08638	0.8
197.11716	100.0
198.12088	3.0
203.03310	0.9
279.09933	0.6
301.06955	0.8
314.23373	0.6
329.06561	4.1
341.13910	0.9
344.08905	0.7
359.07578	0.7
359.11203	5.3
359.14938	0.9
371.92322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2787
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.05493	15.1
57.07056	4.4
67.05486	23.8
69.03409	5.4
69.07053	27.1
69.07750	4.3
70.83638	7.6
70.83971	9.7
73.22047	5.5
78.48660	4.5
79.05469	20.2
79.07434	4.5
81.07034	54.0
83.04963	6.5
83.08598	7.2
86.09332	4.9
87.93063	4.6
91.05448	11.7
93.07028	31.8
94.58733	4.4
95.04926	7.2
95.08595	43.8
95.48156	4.7
97.06461	5.5
97.10141	18.9
104.19199	4.8
105.06989	16.4
107.08566	23.4
109.06517	7.0
109.10138	25.3
111.08091	7.2
116.50687	5.6
119.08555	9.6
121.02832	5.4
121.10123	15.7
122.09634	8.9
123.11702	27.1
125.09594	6.0
129.05496	5.2
133.10094	12.8
135.11690	5.9
137.05923	14.5
137.13205	9.0
145.10057	11.0
147.11635	11.2
149.13191	29.6
151.07498	8.9
157.12317	5.7
159.11652	9.5
178.04895	5.3
181.04961	8.4
223.07509	5.6
230.05692	5.4
240.07845	11.6
253.08499	8.5
254.09181	5.9
258.05179	5.8
267.09949	5.3
273.07428	5.3
283.06189	8.0
283.09631	7.2
300.09955	5.1
301.07047	9.9
305.24628	17.3
313.10629	27.3
313.14224	11.8
327.12436	24.4
329.06470	68.1
330.06747	9.0
331.15686	7.7
341.13766	16.5
344.08868	12.8
359.11136	100.0
359.14975	25.9
359.22003	15.4
360.11447	8.7
384.54010	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	359.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	41.2
57.07070	6.9
67.05498	26.0
68.14476	5.2
69.07061	43.7
69.83662	20.0
79.05474	14.6
81.07050	100.0
83.08593	16.7
84.80874	5.1
85.06537	15.2
91.05469	7.2
93.07028	40.9
95.08593	63.6
97.06540	10.5
97.10147	42.8
99.08072	9.7
105.07020	19.0
107.08574	34.2
109.10119	34.1
111.08053	19.3
111.11663	6.5
119.08560	8.2
121.10136	25.6
123.08031	6.7
123.11681	45.8
125.09605	12.5
133.10109	5.1
135.11658	15.7
137.05971	18.7
137.13228	10.3
139.11159	16.9
143.10631	13.6
149.13232	38.7
155.14287	5.1
157.12169	6.5
161.05981	10.3
161.13379	7.0
163.14774	6.3
185.11707	12.5
187.13147	5.6
189.16222	5.5
254.13356	5.1
265.08597	7.7
287.23938	6.2
293.24594	8.8
295.09619	5.3
297.11212	6.2
305.24738	30.6
323.25748	19.4
359.11325	8.2
369.77768	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	359.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20381	4.8
54.76756	5.1
55.01862	5.8
55.05500	34.0
57.03432	5.5
57.07045	7.8
66.47579	4.1
67.05493	31.8
69.03408	8.5
69.07056	49.7
71.08302	9.6
72.30234	4.7
79.05496	26.4
81.07047	100.0
83.08614	19.7
85.02901	6.0
85.06515	19.8
89.41586	4.7
91.05460	15.2
93.07039	48.3
95.04960	5.2
95.08595	64.0
97.06534	10.5
97.10149	35.4
99.08033	5.5
105.07026	15.2
107.08582	49.0
109.06494	6.5
109.10139	38.2
111.08050	13.4
119.08574	17.8
121.10143	37.3
123.08036	5.1
123.11717	33.7
125.05960	7.4
125.09617	10.6
131.04929	5.7
131.08669	4.4
133.10109	14.3
135.08044	5.6
135.11661	25.6
137.05989	26.2
137.09589	5.8
137.13257	9.3
139.11125	5.8
143.10635	11.6
147.04422	8.3
149.05965	6.1
149.13223	31.8
151.03937	10.0
151.11195	6.2
159.11671	6.6
161.05995	6.8
161.13223	8.1
163.14825	13.8
167.10619	7.8
167.14331	5.5
175.07495	5.6
181.04965	8.3
185.11693	6.7
189.16364	5.9
195.08083	7.2
203.08487	5.5
205.16106	5.7
209.15427	6.0
210.06729	9.2
219.07983	9.7
221.06036	5.5
221.09357	7.9
223.07491	9.0
225.08998	6.5
225.72079	4.8
237.09061	7.1
238.09785	5.1
239.06822	5.5
240.07477	5.5
248.08200	5.9
253.08551	17.4
253.12334	6.9
255.06438	7.5
257.08044	8.5
263.07193	5.0
265.08643	9.7
266.09198	7.1
267.10254	7.5
268.07260	6.7
269.07928	8.0
279.10022	8.2
281.11624	8.2
283.09418	12.1
285.07642	7.3
287.23776	6.2
291.10068	7.6
298.08392	5.4
299.12946	6.3
300.09882	5.5
305.24677	22.4
309.11377	9.6
310.11972	5.6
313.10632	38.0
313.14297	26.2
323.25671	6.9
326.11151	6.0
327.12238	32.9
329.06570	34.4
330.14459	10.0
331.15500	7.6
336.22726	5.1
341.13702	27.0
342.14536	29.1
344.08981	7.1
359.11020	55.5
359.14972	41.4
360.11111	7.1
360.15219	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.089
Annotation	Nitrovin
Peak:m/z	Relative Intensity
53.03929	0.9
55.01855	0.9
57.03428	1.3
61.51190	0.5
66.46186	0.5
67.05474	0.5
68.99771	1.0
69.03427	5.0
69.07060	4.7
70.06590	1.3
79.05482	1.5
81.03422	0.7
81.07077	0.8
83.04961	4.5
85.02897	2.1
91.05462	3.3
95.04962	0.6
95.14709	0.5
95.30586	0.5
97.02873	1.0
97.06518	5.0
103.05437	0.8
105.07053	0.6
107.04922	2.8
107.08597	1.2
109.02878	0.8
109.06484	0.6
111.04478	0.9
115.05544	0.8
119.04911	4.3
121.02834	0.6
121.06478	0.6
122.14081	0.5
123.04413	0.6
125.05989	10.1
127.03923	0.8
131.04887	1.0
135.04285	0.6
135.08058	2.4
137.02388	0.5
137.05933	1.5
141.57877	0.6
143.07019	16.5
145.10168	0.7
147.03227	0.8
147.04398	12.6
149.02373	1.0
149.05946	0.8
151.03935	0.6
151.07538	1.3
153.01811	4.0
153.05475	0.7
161.02373	0.6
161.06000	1.9
161.09668	0.9
163.00558	0.6
163.03850	1.5
163.07539	2.3
164.04294	0.6
165.05428	1.2
167.07014	1.3
168.95401	0.6
169.02588	5.5
178.06281	2.1
179.03261	2.4
179.07024	1.6
180.07880	1.1
181.08603	1.7
186.01625	1.1
187.03770	1.2
189.09036	2.9
195.02814	0.7
197.04230	3.2
199.09669	1.5
215.05232	17.2
216.05701	0.7
216.08835	0.9
217.10744	1.0
229.14162	0.7
235.41988	0.5
240.08711	1.0
248.13846	0.6
261.61639	0.6
269.10303	1.0
297.03854	1.3
300.10950	0.7
301.03500	0.8
315.05026	1.8
315.08459	1.2
317.13986	0.7
319.04257	1.0
331.04541	2.5
332.05243	1.2
343.04367	1.4
343.07922	7.3
345.02524	0.9
346.06711	1.4
347.13480	0.7
361.05444	9.6
361.09006	100.0
362.05676	1.4
362.09357	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	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99772	8.5
71.56500	8.9
72.01176	5.1
72.43575	4.6
79.05484	5.6
81.07038	4.2
86.09728	5.0
86.10216	4.9
88.16686	4.3
91.05470	32.2
92.49317	4.0
93.07046	4.5
95.04990	5.9
97.02851	5.2
103.05470	7.4
105.07035	9.3
107.04932	19.4
115.05433	6.1
117.07025	7.7
118.98598	4.6
119.04897	14.0
119.08621	4.1
123.04376	5.1
129.06963	8.6
131.04919	17.6
134.47090	4.3
137.02356	5.5
137.05969	100.0
139.06451	4.5
140.66963	4.5
145.06412	8.0
146.07225	6.7
147.04399	26.1
149.05925	7.4
151.03856	5.2
151.07538	63.5
157.06474	9.1
161.05960	55.0
161.09619	14.0
163.03880	11.4
163.07527	24.6
165.05504	10.2
165.06900	5.9
167.06996	8.6
167.08432	6.9
167.10681	4.6
175.07588	6.5
175.35185	3.9
177.09090	10.8
178.06245	11.5
178.07684	5.3
179.07039	10.5
181.08665	7.7
185.00755	8.1
186.01537	9.9
189.09138	44.4
189.10744	6.6
193.06476	5.8
195.08061	10.9
207.10129	31.3
223.07413	7.5
225.09232	5.5
227.10629	11.3
245.35626	6.0
253.08484	5.5
253.12216	5.2
255.10167	9.5
269.07986	5.1
285.11017	6.6
287.09821	5.3
287.12692	30.5
299.12988	4.9
313.14322	14.2
315.04810	8.2
317.14011	5.0
331.04391	24.7
331.15274	13.2
346.06793	12.9
351.59674	5.0
361.05460	11.1
361.09210	74.7
361.13202	8.1
362.09277	10.5
370.12314	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01870	3.8
67.05501	2.0
68.99777	4.5
69.03429	2.3
71.30856	4.3
72.13580	1.9
73.13355	1.9
79.05484	13.1
81.07049	3.3
91.05462	25.6
93.07044	12.6
95.04966	8.4
95.08612	2.6
103.05453	14.1
105.07028	10.7
107.04945	32.0
111.04405	2.6
115.05486	4.5
116.06258	2.9
117.06998	5.7
119.04948	7.0
119.08627	2.2
120.05703	3.2
121.06488	21.2
121.10116	2.2
122.03672	2.1
123.04391	7.2
124.05195	6.3
125.05990	4.6
128.06223	7.4
129.06995	20.9
131.04938	9.7
131.08537	10.7
133.02826	2.5
133.06435	4.2
135.04410	4.0
135.08058	7.1
137.05988	18.7
138.03108	2.1
143.04843	3.3
145.06464	9.0
147.04384	4.4
147.08014	3.3
148.05154	3.4
149.05952	7.7
151.03847	3.9
151.07524	18.0
152.04668	4.6
153.05453	12.5
153.06923	2.4
155.08534	2.4
157.06476	18.6
158.07213	1.9
161.05956	35.1
161.07198	2.8
161.09610	14.0
163.03922	3.4
163.07544	21.9
165.05515	4.5
165.06972	8.8
165.09117	9.1
166.06233	10.2
166.07614	3.0
167.07025	64.8
167.08374	3.7
168.00612	4.3
173.06020	2.7
174.06772	9.4
175.07497	8.2
177.06929	4.2
177.09064	9.9
178.06245	6.6
178.07675	2.1
179.06963	6.3
179.08444	3.9
181.06363	4.6
181.06668	3.4
181.08585	100.0
182.07275	5.4
183.08002	3.6
185.00879	2.8
189.09079	68.2
190.07741	2.2
191.10722	2.8
193.06479	3.9
193.08635	3.3
194.07266	3.3
195.08015	11.1
197.09596	9.7
199.07629	4.3
205.06377	2.4
207.08038	5.7
207.10143	14.4
208.08836	2.3
209.06010	2.8
210.06703	4.8
211.07471	5.4
212.08249	2.6
219.08150	5.1
219.10094	2.8
221.06020	4.7
222.06688	4.3
223.07516	7.8
223.11063	4.8
224.08281	3.7
225.09102	16.3
226.09708	2.4
227.07022	5.3
235.07469	2.7
236.08307	2.3
237.09039	2.5
238.06065	3.3
239.06998	6.2
239.10776	3.5
240.07750	6.3
241.08417	2.3
251.06924	2.5
251.10655	6.2
253.08647	12.5
255.06537	2.9
255.10162	4.0
257.11780	13.5
265.08514	3.2
267.10138	3.5
268.07205	2.9
270.08759	5.8
271.13275	4.7
279.10098	6.9
283.09644	12.4
283.13272	8.3
285.11234	34.2
296.10138	2.3
297.11212	5.0
299.12567	3.0
300.09943	2.2
302.11523	5.2
311.12732	7.3
315.12256	14.7
317.13849	21.7
329.13824	3.1
331.04492	7.1
331.15292	2.6
343.15408	8.8
346.06830	6.4
359.76212	2.1
360.15024	2.3
361.09073	29.4
361.16446	10.6
362.09393	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	2.1
53.03936	3.5
54.87700	1.8
55.01866	3.9
66.36684	2.0
67.05499	3.2
68.99770	2.6
70.50252	7.4
71.05024	1.9
77.03921	2.4
78.04690	2.5
79.05479	16.4
81.07050	4.3
91.05460	24.6
93.07017	16.0
95.04948	7.3
103.05447	16.3
105.07006	12.0
107.04937	35.1
107.08568	6.0
109.10155	3.1
111.04417	3.2
115.05435	7.3
117.07020	7.3
119.04923	9.0
119.08579	3.5
121.06506	20.8
123.04429	5.7
123.51639	2.0
124.05226	2.7
125.05945	4.1
128.06230	7.6
129.06992	28.8
131.04901	13.7
131.08530	7.5
133.02892	3.4
133.06465	6.3
135.04355	3.9
135.08058	8.4
137.05956	27.1
138.06639	2.8
143.08568	1.9
145.06528	6.6
146.03610	2.8
146.07162	2.3
147.04410	6.0
147.07979	2.3
148.05153	5.0
149.06000	6.4
151.03870	6.9
151.07527	20.3
152.04597	4.9
153.01833	2.9
153.05470	11.2
153.06714	2.2
157.06462	19.3
159.07976	3.8
161.05962	41.0
161.09613	13.5
161.88901	1.9
163.03893	3.5
163.07529	35.5
165.05516	5.1
165.06973	9.8
165.09103	8.5
166.06268	7.8
167.07047	61.7
167.08456	4.3
169.06473	3.4
171.08076	3.6
173.06052	2.7
173.09763	2.2
174.06731	12.9
175.07521	9.8
177.09128	10.4
178.06210	5.9
178.07672	3.5
179.07016	8.3
179.08582	5.4
180.07750	6.4
181.08574	100.0
182.07275	6.0
182.08850	2.6
183.08029	2.9
189.07364	3.7
189.09074	75.9
189.10699	4.1
190.07819	1.9
190.09479	3.1
191.08569	3.8
191.10619	2.4
193.06493	4.0
194.07211	5.4
195.08047	10.5
196.09840	2.5
197.09578	7.9
199.07372	2.5
207.08293	3.9
207.10051	14.3
209.06015	3.0
210.06828	5.3
211.07504	5.7
219.08066	6.1
219.10085	3.6
221.05994	4.9
222.06900	3.9
223.07515	6.2
223.11200	3.8
224.08269	4.3
225.09096	18.6
227.06989	4.7
229.12172	3.8
235.07430	3.5
236.08180	3.3
237.03154	2.2
237.09062	4.0
239.06934	4.4
239.10640	2.8
240.07811	4.9
251.07010	4.9
251.10736	9.0
253.08485	17.3
255.06516	4.0
255.10121	6.2
257.11752	13.6
265.08545	3.4
267.10098	4.6
268.07401	2.7
269.08179	3.1
270.08890	3.5
271.13214	5.0
279.10162	6.3
282.08612	2.1
283.09616	12.6
283.13290	9.0
284.10062	2.4
285.11166	34.2
297.11118	5.1
299.09216	3.0
299.12485	4.4
302.11447	4.4
303.05048	2.9
311.12704	8.7
315.12219	19.4
317.13757	18.1
328.12784	4.8
331.04535	6.0
331.15353	5.0
343.15335	12.1
346.06784	2.9
361.09216	21.8
361.16739	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02276	1.9
53.03952	5.9
55.01865	5.4
55.91298	2.1
56.96553	2.1
57.07081	2.2
67.05496	6.3
68.99785	7.5
69.07063	4.9
70.73577	6.7
71.05003	2.9
77.98727	2.3
78.04688	2.7
79.05489	20.9
81.07055	10.8
83.04975	3.0
85.02916	3.0
85.06510	2.9
91.05473	35.7
93.07029	19.9
95.04927	10.9
95.08598	8.7
99.08116	2.2
103.05455	20.4
103.38258	2.1
105.03402	3.0
105.07005	15.8
107.04944	46.8
107.08612	5.8
109.06519	3.5
109.10163	4.9
111.04411	3.0
115.05453	5.6
116.06219	5.2
117.07001	8.5
119.04907	6.6
119.08569	6.2
120.05702	3.5
121.06499	26.5
123.04400	10.3
123.08126	3.3
123.11680	2.9
124.05238	3.1
125.05978	3.6
125.09645	4.0
128.06200	10.3
129.06992	28.9
131.04918	11.7
131.08565	14.1
133.02859	5.0
133.06471	6.8
135.04385	4.3
135.08018	10.7
137.05981	31.6
138.06848	2.5
139.00230	2.7
139.07509	3.1
141.06979	2.4
143.05023	2.3
143.08525	2.5
145.06502	6.4
146.07251	3.4
147.04424	6.4
147.08012	4.5
148.05182	6.1
149.05959	8.8
149.09573	3.2
150.06755	3.0
151.03888	6.0
151.07532	25.8
152.04715	4.0
152.06322	2.2
153.05440	18.4
153.06667	2.5
157.06470	23.9
158.07295	2.3
159.08061	3.2
161.05969	48.6
161.07219	4.2
161.09619	11.4
163.03889	6.3
163.07539	35.0
165.05484	9.7
165.07004	8.8
165.09087	11.2
166.06218	13.3
167.07037	67.3
167.08537	6.1
168.00562	4.9
168.07343	2.2
171.08064	2.9
171.13724	2.7
174.06789	11.2
175.07530	12.0
177.06973	2.9
177.09105	12.2
178.06256	18.8
179.07008	13.5
179.08560	5.7
180.07869	4.7
181.05066	3.6
181.06502	7.6
181.08588	100.0
182.07210	6.0
182.08905	3.1
183.08051	4.0
185.00806	4.8
186.01624	7.4
189.07341	4.4
189.09085	88.1
190.07784	3.8
191.08499	3.5
191.10611	2.3
193.06549	4.1
193.08521	3.5
194.07314	6.5
194.09406	2.7
195.08052	10.9
195.09923	2.3
197.05966	3.3
197.09561	13.4
199.07559	4.0
203.08554	3.4
203.10500	3.6
204.02910	2.5
205.06509	2.8
207.08170	5.2
207.10165	16.0
208.08827	3.9
210.06793	7.5
211.07465	6.5
212.08276	3.8
213.05418	2.2
213.10437	4.4
219.08032	7.7
219.10094	3.1
221.06030	4.9
222.04118	4.6
222.06676	5.1
223.07529	9.0
223.11154	4.3
224.08415	2.5
225.05458	3.8
225.09056	22.1
227.07037	8.2
229.12216	3.8
235.07539	4.7
236.08264	5.6
239.07056	5.6
239.10574	3.2
240.07808	6.4
241.08751	2.9
242.09250	2.4
247.07426	2.4
251.06978	5.2
251.10689	6.2
252.07603	2.4
253.08586	20.0
254.09100	2.4
255.06577	2.6
255.10176	4.5
257.07913	2.5
257.11761	18.4
265.08536	4.2
267.10336	2.5
269.08176	5.8
270.08856	4.5
271.09647	2.5
271.13373	4.6
273.12338	8.5
279.10165	6.6
283.09955	12.7
283.13312	11.2
285.07977	4.4
285.11176	37.8
297.11157	5.1
299.12659	5.4
300.09940	2.7
301.11581	6.5
302.11581	6.4
303.05063	4.0
311.12680	8.2
315.12247	21.8
317.13748	23.8
329.14081	3.0
331.04425	20.1
331.15225	4.3
333.14334	3.1
343.15436	9.8
346.06879	12.6
361.09174	64.4
361.13193	5.3
361.16357	8.6
361.20374	2.7
362.09555	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	361.2005
Annotation	Oleiferin H
Peak:m/z	Relative Intensity
51.02375	0.5
53.03931	0.7
55.01858	0.7
55.05488	1.1
65.03912	0.6
68.99763	1.0
69.03445	0.6
78.04703	0.6
79.05481	3.5
81.07033	2.2
91.05466	3.9
93.07035	1.8
94.04173	2.6
95.04955	1.2
98.20654	0.6
103.05433	1.0
105.07010	8.4
107.04941	13.9
107.08585	0.9
109.06503	1.6
109.50126	0.5
111.04442	0.4
115.05445	0.7
117.06995	1.9
119.04908	1.0
119.08565	2.9
121.06511	2.9
122.03638	8.2
123.04413	1.4
124.05196	1.2
125.05959	1.1
128.06267	0.5
129.06964	0.9
130.07726	1.0
131.04889	1.3
131.08598	0.8
133.06477	17.9
133.10101	0.9
135.07991	0.5
137.05960	100.0
138.06294	1.4
140.04659	1.4
142.07771	1.2
143.08507	0.5
144.05679	0.5
145.06471	2.3
145.10100	6.3
146.07227	0.7
147.08031	1.8
147.11671	3.5
149.05959	0.7
151.07501	3.7
153.05470	0.7
155.07077	0.7
155.08458	0.5
157.10120	2.6
158.07246	1.0
160.08826	1.2
161.06010	0.6
163.07530	1.6
165.09119	1.4
167.07024	14.7
168.07458	0.7
169.08154	0.7
173.09589	7.0
175.11160	28.0
176.11557	0.5
177.12779	1.5
178.06215	1.8
181.08549	0.4
185.00839	1.0
186.01523	1.2
205.12216	18.1
207.13780	14.1
227.06990	0.6
237.14838	3.4
269.15338	0.6
297.14734	1.1
317.13708	0.6
323.88724	0.4
331.04355	2.9
346.06873	1.3
361.09073	8.0
361.20163	3.2
362.09515	0.6
384.99222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.80767	0.9
56.96554	2.4
69.03428	1.6
71.53559	1.2
75.29105	0.9
79.05454	1.7
81.03378	1.8
85.02886	7.1
86.09745	1.1
89.03903	4.4
91.04000	1.6
91.05473	2.1
93.07048	1.5
95.04961	15.9
97.02895	2.9
98.97601	2.0
107.04938	1.1
110.97584	1.0
114.64740	1.0
116.98581	1.4
117.03371	2.4
121.06495	1.7
123.04417	100.0
127.03908	1.2
135.04399	7.3
136.06190	1.8
137.05946	2.0
139.03925	6.1
145.02864	3.4
145.04971	1.7
147.04445	2.4
154.36009	1.0
155.03395	1.7
161.01260	1.5
163.03897	24.0
164.04295	2.0
165.05457	53.2
167.10518	1.3
182.08141	7.9
189.00629	1.2
199.97322	0.9
200.09203	4.5
203.96307	1.0
219.01688	1.7
237.02884	3.3
243.01720	1.1
261.02969	1.3
277.33115	1.0
311.09970	1.0
317.13828	4.7
362.09259	4.0
387.06195	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	363.1645
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
55.01852	2.8
55.05499	3.8
57.03428	3.7
61.02912	2.3
62.77435	1.3
67.05496	27.7
68.81783	1.4
69.03425	10.1
69.07048	1.9
69.60004	9.3
71.04980	2.1
79.05485	6.4
81.03421	2.5
81.07053	30.0
82.45689	1.3
83.04959	1.3
85.02902	14.1
91.05457	4.4
93.07043	6.2
95.04935	5.5
95.08593	13.0
97.02867	4.3
99.04429	3.7
99.08083	7.5
107.08566	2.8
107.81975	1.2
108.70312	1.2
109.02856	4.1
109.06483	2.1
109.10151	100.0
110.10535	1.5
111.04426	5.2
113.06023	1.6
119.08562	4.9
121.10169	7.1
123.04446	3.5
125.05978	7.7
127.03897	5.2
127.07496	2.0
137.09610	64.2
147.04358	2.5
147.08009	10.3
155.09389	2.5
155.10655	44.9
165.09103	66.2
183.10155	34.1
201.09373	2.6
201.11198	33.5
201.13013	2.0
229.38019	1.3
254.39458	1.3
363.21848	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	363.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.4
55.05503	4.4
57.03436	4.0
61.02920	2.7
63.76576	1.8
67.05497	31.1
69.03423	13.6
69.07054	5.1
70.78060	2.4
70.78387	2.9
71.04973	5.5
79.05479	6.2
81.03407	4.5
81.07049	40.8
85.02889	16.9
85.06548	1.6
88.31165	1.5
91.05462	7.3
93.07018	6.5
94.81692	1.6
95.04961	7.2
95.08598	14.7
96.01813	1.5
97.02856	4.8
97.06489	1.8
99.04444	4.3
99.08076	7.5
105.07030	4.2
107.04958	2.7
107.08601	2.8
109.02863	4.9
109.06500	4.2
109.10146	100.0
111.04439	6.6
114.38441	1.8
117.07046	2.9
119.04945	2.2
119.08575	8.9
121.10136	6.8
123.04388	2.7
123.08059	1.7
125.05976	5.5
127.03883	10.7
127.07511	3.5
133.06479	3.9
134.06807	4.7
137.05988	9.6
137.09607	73.1
138.06311	9.0
141.05420	1.8
147.04388	3.2
147.08043	9.0
151.94986	1.8
155.10641	47.9
159.11687	1.6
165.09105	80.8
166.09460	6.1
183.10155	42.0
184.10526	5.4
201.11201	40.0
208.83855	1.7
219.12231	2.7
289.50397	1.9
303.13406	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	364.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.4
68.99788	4.5
69.03411	3.7
69.90517	12.5
80.04996	2.2
83.04987	2.3
84.04491	3.9
85.02909	2.9
89.39653	2.0
91.05450	2.1
95.04932	3.9
97.02874	2.6
107.04987	3.3
109.02916	4.9
111.04404	3.0
121.02868	2.6
122.06026	2.0
123.04436	8.3
124.07549	2.9
126.05531	4.7
126.19169	1.9
127.03931	5.2
133.02805	2.6
134.06029	4.8
135.04437	5.1
136.03934	4.0
137.02342	3.0
137.05948	3.2
138.05495	4.9
139.03885	100.0
140.03354	4.8
140.04291	2.2
140.06978	2.2
145.06435	2.6
147.04419	3.5
148.03908	4.7
149.02303	9.7
151.03896	11.7
152.07056	3.0
153.01823	2.7
154.04974	26.9
155.03366	14.2
159.04390	2.4
162.05504	5.3
163.03896	31.8
164.07088	2.6
165.01714	2.7
166.04970	20.7
168.06573	7.9
170.05757	3.5
175.03920	3.1
178.04977	15.1
179.03389	10.7
180.06529	27.1
181.04973	4.6
184.06114	3.7
185.93257	2.2
192.06563	3.2
196.06033	20.6
203.03351	3.0
203.05296	4.2
204.06580	3.7
205.05118	2.7
208.06039	20.6
210.07617	2.8
222.07610	3.0
245.04630	2.8
249.86212	2.2
257.04486	2.6
259.06058	4.6
272.09222	2.7
287.05228	2.8
304.08276	2.8
305.06454	2.8
322.09201	4.6
328.08127	3.4
346.09293	10.2
347.07639	4.4
364.10248	14.3
364.14551	3.5
365.10593	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.6
57.93728	3.2
67.05488	4.6
69.03405	5.8
70.06564	4.9
71.52782	4.7
71.65733	2.9
75.04484	5.7
79.05490	11.5
81.07044	12.0
84.04494	5.6
85.02878	11.5
87.95872	3.2
89.31416	3.5
91.05471	11.0
91.65713	3.4
93.07031	100.0
95.04979	7.5
95.08591	6.0
105.07033	10.1
107.08572	10.0
110.07183	12.9
119.08571	4.3
121.10123	77.5
121.10909	5.9
123.11686	12.2
127.03923	3.8
137.02313	5.3
139.11182	11.5
145.04918	4.3
149.09578	23.6
153.01778	9.8
156.07651	3.8
159.61443	3.8
167.10669	42.0
168.10973	3.7
210.73192	3.2
298.05875	3.2
301.03445	4.9
303.04971	12.6
319.04300	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.6
57.93728	3.2
67.05488	4.6
69.03405	5.8
70.06564	4.9
71.52782	4.7
71.65733	2.9
75.04484	5.7
79.05490	11.5
81.07044	12.0
84.04494	5.6
85.02878	11.5
87.95872	3.2
89.31416	3.5
91.05471	11.0
91.65713	3.4
93.07031	100.0
95.04979	7.5
95.08591	6.0
105.07033	10.1
107.08572	10.0
110.07183	12.9
119.08571	4.3
121.10123	77.5
121.10909	5.9
123.11686	12.2
127.03923	3.8
137.02313	5.3
139.11182	11.5
145.04918	4.3
149.09578	23.6
153.01778	9.8
156.07651	3.8
159.61443	3.8
167.10669	42.0
168.10973	3.7
210.73192	3.2
298.05875	3.2
301.03445	4.9
303.04971	12.6
319.04300	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	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47003	0.5
58.55565	0.6
69.69283	3.4
73.02898	0.5
96.63575	0.5
100.27557	0.5
101.00899	1.8
105.55324	0.5
110.01409	1.0
113.00851	0.5
119.01922	6.0
121.43454	0.5
122.01417	0.8
131.01900	4.0
131.52031	0.5
137.01932	2.6
137.02893	0.6
137.52016	0.6
143.01880	4.1
145.03511	2.5
149.01891	0.7
152.02487	1.2
155.01904	1.8
157.03444	1.5
161.02934	4.8
164.02347	0.7
167.01872	1.0
167.03131	0.6
173.02959	8.2
182.03471	0.7
185.02907	4.6
185.04266	23.1
187.04510	0.9
194.03517	0.6
197.02962	3.0
203.05293	52.5
204.05698	1.2
215.03915	2.5
224.04631	2.1
227.04015	1.7
233.05148	0.9
239.06105	0.7
245.05063	15.1
245.07431	0.9
257.05118	0.6
263.06134	4.1
275.06042	3.0
305.07220	0.9
335.73743	0.5
365.10635	100.0
366.10919	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	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.8
70.99346	1.0
77.88918	0.6
82.03695	0.5
85.02892	1.2
89.04719	0.5
95.49107	0.5
97.02893	0.6
98.97556	3.9
101.00889	1.4
105.00333	0.5
110.97565	0.9
112.99165	0.6
116.98608	1.8
117.03310	0.8
119.01884	3.8
128.98564	0.9
131.01884	2.3
135.04346	0.8
137.01924	0.7
137.02902	0.7
143.01901	3.2
145.03482	1.1
155.01889	1.8
157.03471	1.0
161.02950	2.5
163.03833	3.5
169.03464	0.6
171.04979	0.7
173.02945	4.0
184.97546	0.9
185.02905	3.1
185.04237	24.3
187.04488	0.7
188.97104	1.4
189.00612	0.9
193.00101	1.7
197.02953	1.8
202.04076	0.6
202.98654	1.7
203.05272	47.8
206.98090	1.0
207.01825	0.7
215.04083	1.2
227.04126	0.9
230.98116	2.2
235.01154	0.7
245.05020	11.1
248.99329	0.6
263.00726	1.9
263.06079	2.3
275.06186	2.0
278.78177	0.6
296.72583	0.6
345.76266	0.7
365.10516	100.0
366.10757	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	365.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.8
69.03400	1.6
69.22952	8.5
79.05489	1.1
91.05447	2.0
91.50671	0.7
94.71644	0.7
95.04933	1.1
95.08554	1.2
96.04434	1.2
98.06020	0.8
107.08546	1.8
110.06000	0.8
118.76376	0.8
119.04904	0.8
119.08569	1.1
120.04472	0.7
120.39985	0.9
122.05978	3.0
123.04451	0.9
130.06491	1.2
131.08496	1.1
133.10103	1.0
134.05931	0.8
138.05452	2.7
138.64258	0.7
140.07025	3.2
147.04367	3.5
147.08015	1.2
148.03899	2.6
148.07567	5.8
149.13217	0.9
160.07561	1.3
161.10786	1.0
162.05406	0.9
166.04999	5.5
166.08589	0.9
168.06488	2.2
171.09164	1.8
172.07542	4.6
174.09068	2.7
175.08670	6.5
176.07056	9.0
176.09361	1.3
185.06973	0.9
185.10730	1.4
186.05453	1.7
186.09169	1.6
189.10318	4.1
190.08618	2.1
196.07527	1.5
198.07642	1.6
198.09232	1.6
199.08670	8.5
200.07022	5.7
200.09103	1.2
202.08580	2.4
203.08134	21.0
203.10045	1.1
204.06497	1.9
207.11314	1.5
213.06621	1.2
213.10202	6.1
214.08557	2.8
215.08156	0.9
217.06322	1.1
217.09770	18.3
218.08032	2.3
218.10056	1.0
223.08650	1.3
224.06917	1.6
227.08153	19.0
228.06493	2.5
228.08757	1.4
229.09674	2.4
231.07587	1.1
231.11197	1.9
235.10692	4.7
241.09712	11.4
242.08070	5.3
243.10986	1.1
244.09535	2.9
245.09201	55.0
246.07524	2.0
246.09735	1.7
247.10703	2.1
250.07062	2.0
259.06949	0.7
259.07928	1.2
259.10748	14.5
263.10251	29.6
264.10568	1.3
269.09064	5.2
270.07605	1.8
273.08676	4.3
277.11880	1.5
287.10242	23.7
288.11002	1.0
289.11801	1.9
291.09720	8.4
297.08643	1.5
305.11285	98.8
306.11743	4.5
315.09515	5.1
323.12344	27.5
333.10788	18.2
334.10907	1.0
347.02072	1.8
347.12335	1.8
365.13406	100.0
366.13681	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	365.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
67.05476	0.8
69.07041	0.9
69.88533	1.6
69.88950	2.1
74.62030	0.7
95.04990	1.0
96.65380	0.6
97.06462	0.8
120.04470	1.2
122.06006	2.4
124.03954	1.6
133.06418	0.7
138.05482	2.7
140.07010	2.1
146.09662	1.2
147.05608	0.9
148.03920	1.5
148.07562	6.0
154.06372	0.7
156.08049	0.8
158.05986	1.3
160.07501	2.0
161.10742	1.2
162.05431	0.8
163.08542	0.9
164.07060	0.9
166.04974	5.6
168.06557	2.6
171.09238	1.6
172.07555	3.5
172.09860	0.9
174.09122	3.8
175.08644	8.9
176.07062	11.1
176.09352	1.4
177.10226	0.7
178.08575	1.3
184.07646	0.9
185.07048	1.5
186.05542	1.0
186.09145	1.2
189.06589	0.7
189.10344	5.3
190.08592	2.9
194.08090	1.1
196.07578	2.8
198.07501	0.9
198.09138	1.2
199.08669	8.2
200.07036	5.0
200.08963	0.7
201.10033	0.8
202.07091	1.1
202.08685	2.9
203.08136	21.0
204.06563	1.6
204.08458	1.4
205.09647	0.9
213.10213	5.4
214.08604	2.6
215.08086	1.0
215.11877	0.8
216.10155	1.8
217.06395	1.0
217.09709	20.9
218.08110	2.6
218.10071	0.9
223.08673	1.7
224.07066	2.3
227.08153	15.6
228.06512	3.5
228.08586	1.5
229.09737	2.3
231.07573	1.7
235.10704	5.4
241.09718	10.7
242.08069	6.4
242.10161	1.0
243.11221	1.0
244.09856	1.2
245.09198	54.9
246.07512	1.9
246.09628	2.8
247.10753	2.8
259.10730	12.5
263.10254	34.0
264.10590	2.0
269.09088	4.4
270.07535	1.6
271.10831	1.3
272.09164	1.2
273.08615	6.0
277.11661	1.3
286.49649	0.8
287.10217	21.1
288.10800	1.3
289.11740	2.9
291.09717	8.8
305.11273	91.9
306.11661	5.0
309.10739	1.2
315.09830	3.3
323.12329	36.6
324.12646	1.6
333.10767	18.2
365.13379	100.0
366.13672	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	365.2318
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.02370	2.9
53.03934	4.7
54.21310	2.5
55.01846	9.5
55.05503	22.8
57.03414	10.4
57.07062	9.2
59.04971	3.9
61.02909	12.8
65.03919	3.3
67.05497	42.9
69.03419	33.1
69.07066	21.6
71.01356	4.2
71.04986	25.9
71.54027	5.3
73.02908	13.7
79.05476	27.0
81.03417	14.5
81.07043	48.4
83.04970	10.4
83.08597	7.9
85.02892	41.6
85.06515	5.7
87.04436	6.1
91.05470	27.4
93.07038	45.1
95.04948	12.9
95.08592	92.3
97.02878	17.8
97.03400	2.9
97.06510	5.5
97.10153	6.3
99.04460	5.7
99.08120	5.3
103.03941	9.9
105.07024	53.7
106.07771	2.7
107.04947	3.8
107.08593	38.8
109.02829	2.8
109.06509	8.3
109.10143	35.2
109.10841	4.9
111.04398	7.6
112.39825	2.7
113.05952	3.4
115.03923	4.6
115.05471	2.4
117.06977	16.2
119.04947	6.2
119.08564	64.5
121.06485	8.7
121.10141	42.3
121.36845	2.8
123.04392	3.9
123.08046	9.4
123.11697	24.1
125.05894	3.5
125.09607	7.4
127.03899	7.4
127.11195	7.5
128.06209	6.6
128.08907	2.7
129.05449	7.2
129.06990	13.9
130.07703	4.1
131.08551	34.2
133.10114	41.9
135.08014	11.1
135.11652	13.7
137.05975	5.5
137.09578	15.1
139.07513	4.1
141.06946	5.0
142.07730	9.8
143.08540	27.2
144.09320	6.8
145.06456	7.7
145.10097	48.9
147.04440	4.4
147.07983	13.4
147.11659	37.3
149.09604	8.1
149.13266	9.6
151.11159	9.0
155.08516	9.2
156.09311	7.8
157.10100	33.5
159.08026	8.0
159.11656	52.6
161.09607	7.6
161.13274	17.9
163.11192	10.4
163.14821	4.4
165.09070	5.4
167.08583	4.4
168.09285	4.0
169.10100	14.5
171.07977	5.6
171.11662	30.4
172.12386	4.1
173.09624	7.5
173.13216	27.0
175.11160	9.8
175.14803	9.5
177.12738	8.8
177.16434	3.8
181.10081	5.7
183.11714	14.8
184.12442	5.4
185.09631	6.2
185.13263	13.3
187.11160	6.8
187.14772	18.9
189.12714	4.7
189.16330	24.9
191.10796	3.0
191.14290	3.5
191.17813	5.1
195.11717	7.4
197.13260	9.8
199.11201	3.9
199.14793	8.7
201.12610	12.9
201.16335	19.7
203.17923	19.0
207.10027	4.2
207.11777	3.8
208.12427	4.7
211.14815	3.8
213.12523	4.8
213.16342	15.0
215.14439	4.8
215.17885	15.4
217.19527	3.8
219.17334	4.5
220.05528	2.8
223.14857	4.3
225.12781	6.9
225.16318	6.5
227.14394	4.8
227.17912	14.9
229.19490	6.9
231.17508	8.9
233.19003	4.2
239.18027	3.6
243.13716	7.6
243.17427	5.7
245.18910	14.4
253.14655	3.7
255.17389	5.0
257.15482	3.2
257.19028	5.3
259.20581	2.7
261.14865	9.0
261.18564	2.9
269.18924	5.1
273.18347	2.9
275.20221	3.8
279.15881	6.5
286.75934	3.3
287.19974	4.0
290.02829	3.1
293.19019	4.7
299.20175	4.9
305.20993	3.7
306.48932	2.8
311.20081	15.0
329.21140	27.6
347.22134	38.5
365.23209	100.0
366.23633	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	366.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.0
57.07058	3.3
58.48772	2.9
60.04507	7.4
67.05477	10.7
69.03417	6.6
69.07034	4.6
71.04975	14.2
71.53926	6.9
79.05473	9.2
81.07047	35.8
83.04980	7.3
85.02891	11.2
91.05465	16.8
93.07043	18.4
95.04921	5.7
95.08580	8.1
97.02909	4.4
100.03731	3.2
104.57752	3.5
105.07011	12.5
107.04964	4.2
107.08567	45.5
109.06514	5.1
109.10115	18.1
119.04917	11.4
123.11714	24.0
133.10115	29.4
137.05995	4.3
145.06514	4.7
146.06827	5.1
147.04402	28.1
151.07457	3.8
151.11154	42.1
164.06931	3.9
169.12216	100.0
187.13240	3.8
191.06877	4.8
192.07361	7.6
203.03215	6.3
219.02927	4.2
259.02203	5.5
349.14075	4.6
366.12860	5.4
367.15759	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32043	1.3
55.05514	2.5
57.07070	1.5
67.05499	14.1
69.03426	2.4
69.07056	4.3
71.04984	26.9
71.52995	2.5
79.05485	4.7
81.07041	13.0
83.04985	1.6
83.08630	1.6
84.50955	1.4
85.02898	5.1
85.06532	45.8
91.05465	13.2
93.07014	6.9
95.08590	3.0
105.07019	13.0
107.08577	14.3
109.02864	1.4
109.06539	2.0
109.10142	19.8
111.04461	1.7
115.06898	1.5
120.08112	2.6
123.11689	2.9
133.10110	43.5
150.46716	1.4
151.11168	34.1
161.05832	1.8
169.12225	38.1
169.13658	2.5
187.13268	100.0
188.13657	2.3
246.09596	1.6
264.10687	1.5
306.11746	4.6
324.12836	2.5
348.14621	1.7
366.13770	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	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.5
60.04517	7.5
62.99465	3.7
67.05492	8.2
69.03429	6.7
69.07064	4.1
71.04967	18.5
71.57164	4.9
71.66976	3.6
74.23169	4.0
79.05477	7.3
81.06694	3.8
81.07055	38.9
83.04975	8.4
85.02853	9.3
91.05453	21.9
93.07024	20.9
95.04942	4.0
95.08590	12.8
105.07016	18.7
107.04932	7.6
107.08575	50.1
109.06477	7.3
109.10135	12.8
113.06014	5.3
119.04922	12.9
120.99609	4.6
122.05981	4.6
123.11679	28.2
133.02812	4.2
133.10112	25.2
137.05969	4.5
145.06476	7.2
147.04390	33.2
151.11154	56.8
169.12221	100.0
191.06956	6.3
192.07436	6.0
218.89906	4.3
279.53528	4.2
366.12430	13.1
367.16061	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	367.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29051	0.1
67.78928	0.1
71.07924	0.3
79.27207	0.1
79.49341	0.1
82.99857	0.2
98.97569	0.2
101.00857	0.7
113.54070	0.1
116.98673	0.2
119.01907	8.0
120.01975	0.2
122.97841	0.2
123.40370	0.1
134.99780	0.6
137.02942	3.7
138.25458	0.1
140.98816	0.2
142.03514	0.3
145.38676	0.1
153.00893	0.5
158.99864	0.7
160.04625	0.1
165.99667	0.2
175.02959	0.1
177.00932	20.5
178.01060	1.2
179.00870	0.2
182.99724	0.7
193.04068	0.3
195.01991	0.5
200.02533	0.5
201.00937	0.9
209.98625	0.2
217.04068	3.1
218.03973	0.2
219.01982	26.4
220.02115	1.9
221.01868	0.4
225.00777	2.4
227.99666	0.1
234.99948	0.4
235.99992	0.6
236.99838	0.3
237.99925	0.2
242.03516	0.7
242.99390	0.3
243.01923	5.8
244.02127	0.4
253.01154	0.2
254.01118	0.2
255.00774	0.2
258.99915	0.9
260.00131	1.0
260.04568	0.4
261.03024	100.0
262.00055	0.3
262.03149	6.6
263.03156	0.5
266.03619	0.5
274.97702	0.1
275.04456	0.2
277.01047	1.1
278.01157	1.3
279.00967	1.1
280.00937	0.3
282.99814	1.0
284.00037	1.7
284.04630	5.6
284.99850	0.6
285.04712	0.6
301.00989	2.7
302.01105	4.7
303.00836	1.7
304.00977	0.3
319.02109	0.2
320.02264	0.4
321.01880	0.2
325.01935	0.2
326.01453	0.4
342.01886	0.2
343.02167	1.3
344.02185	2.1
345.01965	0.4
362.03180	0.7
367.01892	1.0
385.03122	4.5
386.03110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	6.5
60.04512	9.0
60.21262	5.1
65.42603	6.1
69.60806	13.8
69.61214	36.7
71.38430	6.5
85.22642	6.3
87.52653	6.9
93.07018	7.0
95.04987	7.3
98.20834	13.9
98.97576	100.0
107.04964	11.1
109.06482	7.4
116.98617	53.5
134.99637	23.1
147.04413	19.2
158.99664	30.5
177.00667	56.2
185.02655	10.6
195.01627	9.2
203.05095	7.4
219.01634	6.8
226.69170	6.2
238.05367	7.6
302.54855	6.1
367.07581	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1536
Annotation	7-Prenyloxy-3',4'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
51.10472	0.4
53.03937	0.5
53.42698	0.3
53.72232	0.4
55.01857	1.2
55.05500	0.8
57.03448	0.4
65.03935	0.7
67.05484	1.3
69.03423	0.5
69.07037	0.8
69.78735	0.9
69.79136	1.8
79.05486	2.3
81.07043	4.2
83.04953	0.6
89.03891	1.2
91.05466	4.7
93.07041	1.6
94.04173	3.7
95.04946	1.2
95.08589	1.0
98.20706	0.4
103.05448	0.9
105.03417	0.7
105.07011	1.5
107.04936	1.7
107.08583	1.0
109.06504	8.8
109.10151	0.8
115.05460	1.3
117.03364	0.8
117.07016	0.9
119.04937	1.1
119.08567	1.1
119.96737	0.3
120.80765	0.3
121.06473	1.1
121.10218	1.0
122.03634	6.9
122.06037	0.4
123.04404	0.6
128.06166	0.6
129.06984	1.6
131.04909	1.3
131.08546	1.4
133.02838	5.5
133.06444	0.8
133.10194	0.5
134.03590	0.6
135.04384	0.5
135.08025	0.7
136.74744	0.3
137.05959	100.0
138.06296	2.3
141.06960	0.9
143.04919	1.1
143.08546	0.5
144.05702	1.0
145.06395	0.5
147.04384	3.4
147.08028	0.7
147.11667	0.7
149.05966	8.6
151.07510	3.2
152.06140	0.5
153.06982	2.2
155.08566	1.4
157.06441	0.6
158.07263	0.8
159.08054	1.4
160.05162	0.9
161.05978	1.7
161.09575	0.4
163.07487	1.1
165.05594	0.5
165.06976	1.3
167.04837	0.5
169.06413	0.9
170.07281	1.4
171.08051	0.9
173.09641	0.5
175.03958	0.4
175.07516	2.8
177.07542	0.4
177.09058	0.7
181.00067	0.4
181.06458	6.3
182.07185	0.9
183.08017	1.4
184.05217	0.4
185.05902	1.3
185.09569	0.8
187.07542	5.2
188.08199	0.6
189.09111	0.6
193.06548	0.7
194.07195	0.4
195.07990	1.0
197.05974	0.8
198.06723	3.6
199.07503	6.1
201.09091	2.5
202.07764	1.1
203.08510	1.3
205.06563	0.5
210.06737	1.4
211.07497	2.9
212.08298	1.1
213.09070	28.3
214.09450	1.1
215.08698	0.5
215.10664	1.2
217.06609	0.6
217.10172	0.8
218.07298	0.5
219.07915	0.5
225.09015	3.5
227.08492	1.1
228.09297	1.9
229.10146	4.9
231.08034	1.6
232.08821	0.7
233.09543	0.9
235.07576	0.7
239.08569	1.7
242.07278	1.3
243.07973	0.7
243.10188	0.8
244.08733	0.7
245.09651	2.6
246.06758	0.9
246.10475	1.9
247.07545	0.9
247.11029	0.7
248.08366	0.6
249.09039	1.4
255.07997	0.9
256.08795	0.9
257.09613	9.4
258.10233	1.5
259.07547	2.7
259.11099	0.5
260.08142	0.5
261.09152	2.2
262.06149	0.5
262.09869	1.2
263.10587	0.7
265.08704	0.6
271.07486	1.1
272.08450	0.6
273.09048	3.6
274.06680	0.6
274.09836	6.5
275.10605	1.4
275.19986	0.7
276.07831	0.6
277.08545	3.1
277.12192	1.2
278.09232	1.0
279.10193	0.5
279.13599	0.4
284.08173	0.6
285.09055	8.7
286.09805	1.9
287.07022	2.5
287.10324	0.9
288.07428	0.6
288.11539	0.6
289.08673	1.8
289.12189	7.9
290.09375	0.9
290.12396	0.7
291.06842	0.6
291.10031	2.4
293.07928	1.0
293.11505	0.9
297.11005	0.5
301.08542	1.3
302.09354	7.9
303.09897	2.6
304.10974	0.7
305.08258	0.7
305.11694	2.5
306.08871	1.1
306.12366	0.9
307.09476	0.6
307.13034	0.5
308.10413	1.2
309.11282	1.9
315.10013	0.5
316.10764	0.5
317.11664	21.2
318.12268	2.7
319.09619	1.4
319.13144	0.5
321.11188	5.5
321.14789	0.3
322.11813	1.2
323.12723	0.9
334.11899	1.7
335.12750	10.4
336.13300	3.5
337.10614	0.8
337.14191	4.3
349.14301	14.4
349.23669	0.7
350.14511	0.7
367.15344	44.8
368.15820	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	367.1536
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
50.45810	0.8
54.23175	0.6
55.01856	1.6
55.05495	1.0
58.31455	0.7
67.05481	2.6
68.35306	0.8
69.03411	1.1
69.07030	0.7
69.38027	7.1
71.04980	1.0
79.05468	2.9
81.07030	2.1
83.04967	1.3
91.05475	10.8
93.07022	2.6
95.04965	1.7
95.08566	1.4
97.06497	0.8
98.20652	1.5
103.05442	4.1
104.06203	0.8
105.03378	0.8
105.07024	3.8
107.04939	1.5
107.08527	1.0
109.06472	1.6
115.05435	18.1
116.06156	1.0
117.07011	9.1
118.04131	1.0
119.04923	2.8
119.08560	2.3
119.18364	0.7
121.06515	3.9
121.10106	0.9
123.07974	0.8
127.12434	0.7
128.06171	2.0
129.07010	4.6
131.04909	5.7
131.08531	1.7
132.05730	4.1
133.02847	1.4
133.06451	2.4
135.08029	2.9
137.05954	9.9
141.06973	1.3
143.04909	16.2
144.05670	2.6
145.06468	12.6
146.03577	2.3
147.04384	1.2
147.08005	6.0
149.05939	4.9
151.07538	6.1
153.06934	1.0
155.04865	2.4
155.06015	0.8
155.08508	1.3
156.05757	1.0
157.06451	1.5
159.04375	1.5
159.08009	3.2
160.05165	8.5
161.05959	27.3
161.09619	1.3
162.06595	1.3
163.03932	0.8
163.07553	6.5
165.06947	1.5
167.32127	0.9
168.05684	0.8
169.06482	1.5
171.04359	0.9
173.05956	2.7
174.06737	6.9
175.07527	100.0
176.07909	2.3
177.09023	3.6
178.07750	3.0
179.07089	1.3
179.08456	1.3
184.05054	1.6
185.05977	6.3
187.07497	10.2
188.08261	4.1
189.05423	1.8
189.07036	2.3
189.09016	4.8
190.07770	1.8
191.06961	1.9
191.08565	5.2
192.04173	1.4
192.09294	2.8
193.10117	1.3
194.07271	2.0
195.08040	1.0
197.05931	0.9
198.06746	1.1
199.07549	6.2
200.25475	0.8
201.09099	1.7
202.07713	8.1
203.08525	9.8
204.09348	1.9
205.06454	4.6
205.08539	2.1
205.10152	1.9
206.07214	2.2
207.08046	2.4
208.08876	1.8
209.09607	3.1
211.07491	3.9
213.09079	8.5
215.08522	2.5
217.06604	1.5
217.10092	3.4
218.07285	5.5
219.08008	11.0
219.10126	2.7
220.08792	7.9
221.05980	1.8
221.09627	4.4
222.06720	3.7
222.10362	1.9
223.07533	1.1
225.09090	1.6
226.07855	0.8
228.09267	1.8
229.10010	2.8
230.07224	1.8
231.08037	14.1
232.08768	7.5
233.05980	3.9
233.09505	5.9
234.06689	6.2
234.10391	2.4
235.07539	7.6
235.11061	4.1
236.08278	3.0
237.09064	8.6
238.09904	1.1
243.08028	3.2
244.08766	2.2
245.05910	2.0
245.09563	7.5
246.06752	2.0
246.10376	4.2
247.07538	12.2
247.11201	2.5
248.08301	19.1
249.05499	1.0
249.06158	1.1
249.09053	15.0
250.06282	6.3
250.09808	2.6
251.06976	1.8
251.10654	2.8
252.11386	1.5
256.08871	1.1
257.09552	4.8
258.06787	1.5
258.10370	3.0
259.07510	18.4
260.08234	6.7
261.05383	1.2
261.09052	7.9
262.06171	1.5
262.09839	8.0
263.07037	7.1
263.10629	27.2
264.07767	4.7
264.11285	2.8
265.08575	22.1
265.11749	1.6
266.09381	1.7
271.07315	1.0
272.08295	1.9
273.09061	7.2
274.06525	1.1
274.09830	8.3
275.06982	7.1
275.10605	9.2
276.07800	12.0
276.11029	1.6
277.08560	14.0
277.12137	7.3
278.05719	3.0
278.09299	4.8
278.12296	1.2
279.10178	8.4
280.07849	1.1
280.10892	6.5
281.11667	2.5
285.09045	4.1
286.09750	2.7
287.07043	1.7
287.10608	2.0
288.07751	2.4
288.11472	2.0
289.08594	4.8
289.12189	11.9
290.09348	7.4
290.12466	1.7
291.06689	2.3
291.10114	44.6
292.07281	2.2
292.10867	7.2
293.08078	40.7
293.11588	5.2
294.08588	2.3
294.12286	1.2
295.09662	1.9
295.13281	4.3
301.08640	1.6
302.09412	5.2
303.10080	7.9
304.07611	0.9
304.10858	3.2
305.08112	2.5
305.11624	16.8
306.08807	13.5
306.12442	5.8
307.09583	9.6
307.13272	4.1
308.10406	43.6
309.11264	3.5
309.14493	1.2
310.11783	0.8
317.11673	19.0
318.12491	6.2
319.09583	9.3
319.13239	2.2
320.10336	1.4
321.11185	9.7
321.14828	2.6
322.11850	4.3
323.12747	65.5
324.13156	3.3
325.14224	3.2
333.10950	1.2
334.11914	7.2
335.12732	12.8
336.13409	4.8
337.10913	2.1
337.14291	55.5
338.14594	1.9
339.12338	1.0
339.16071	1.2
349.14304	23.4
352.12912	3.7
367.15375	82.4
368.15900	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	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05506	22.0
57.07071	10.3
59.04994	2.1
65.03938	3.0
65.49593	2.1
67.05495	41.5
69.03413	6.4
69.07057	19.2
71.04976	6.9
79.05488	35.0
81.07047	52.3
83.04960	3.4
83.08610	7.8
85.06530	8.5
91.05462	54.7
93.07030	82.0
95.04953	36.0
95.08594	52.5
97.06507	11.6
98.20780	4.5
103.05449	4.5
105.07013	89.5
107.04948	2.4
107.07861	3.9
107.08575	61.5
109.06486	11.9
109.10148	41.6
111.08051	3.8
115.05436	6.6
116.06211	3.2
117.07010	19.9
119.08563	100.0
121.06470	8.6
121.10125	44.2
121.11010	2.3
123.08092	5.6
123.11671	14.6
128.06172	11.6
129.06998	22.0
130.07776	6.9
131.08556	55.7
133.06436	3.6
133.10117	57.4
135.08028	15.0
135.11661	21.9
137.09576	7.6
139.11185	3.7
141.06960	6.1
142.07779	23.8
143.08537	39.1
144.09334	11.7
145.06516	2.8
145.10101	62.2
146.07303	4.3
147.08012	8.3
147.11673	18.8
149.09598	18.4
149.13257	5.2
153.06929	2.5
154.81392	2.3
155.08524	13.4
156.09309	16.3
157.10104	47.5
158.10814	6.9
159.08006	7.4
159.11664	32.6
160.12138	2.0
161.09596	45.9
161.13196	12.3
163.11131	3.9
163.14795	2.7
165.07002	5.4
167.08568	7.5
168.09306	5.3
169.10104	16.8
170.10898	7.6
171.11667	27.5
172.12309	2.8
173.09605	7.7
173.13214	27.8
175.11172	8.2
175.14767	17.6
179.08545	8.6
180.09364	3.0
181.10080	10.0
182.10912	5.6
183.11681	22.3
185.09628	3.6
185.13197	17.5
187.11087	2.7
187.14766	12.3
189.12685	3.9
193.10120	6.2
194.10866	10.9
195.11699	13.2
196.12411	5.0
197.13246	18.6
198.13760	2.5
199.11185	3.2
199.14818	13.9
200.15306	2.5
201.12679	6.6
201.16374	6.9
205.10062	2.3
206.10883	4.0
207.11694	5.0
208.12434	2.6
209.13235	21.1
210.13951	2.9
211.14815	9.4
213.12752	6.9
213.16328	3.9
215.14220	3.1
217.15866	3.4
221.13177	3.0
223.14775	6.7
225.16370	6.2
227.14240	17.6
229.15663	3.2
235.14774	4.7
237.16299	4.6
239.17929	8.7
243.17754	2.3
249.16374	2.7
251.17888	3.8
253.19365	3.0
255.17479	7.2
257.18985	5.7
265.19482	5.7
267.17377	4.7
275.17902	4.2
291.21140	2.2
293.18866	3.7
349.25269	12.3
367.26273	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	368.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83491	0.3
52.47445	0.3
53.03941	0.4
56.88470	0.3
56.96548	0.6
57.03432	0.6
61.02911	0.7
68.99030	0.3
69.03426	2.4
70.55480	0.3
71.32234	0.7
81.03387	0.9
83.04955	0.6
85.02883	5.7
87.04472	0.4
89.03912	1.4
91.03952	0.4
95.04951	0.4
97.02896	2.3
98.62072	0.3
98.97594	0.4
99.04469	0.6
107.04926	0.3
109.02867	0.7
111.04407	0.5
117.03371	1.4
121.02848	0.4
127.03912	1.2
128.15224	0.3
129.05457	1.2
132.03468	0.3
132.04433	5.9
135.04402	1.7
137.06004	0.3
139.03865	0.5
143.00079	0.5
145.02843	2.9
145.04932	1.0
148.03923	0.3
149.02397	0.3
160.03880	0.4
163.03885	7.4
164.04199	0.7
177.01822	1.3
177.05429	1.9
178.04967	53.2
179.05301	1.8
189.07515	0.3
195.02861	1.0
203.28505	0.3
206.04449	100.0
207.04797	3.0
219.01669	0.5
237.02737	0.7
255.03807	0.5
261.02832	0.7
291.03760	0.5
309.04803	0.5
368.09528	0.6
393.07416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22157	0.5
55.05507	2.7
56.96553	0.5
61.02915	0.7
65.03916	1.0
67.05501	1.0
69.03420	8.2
71.06576	1.1
79.05490	1.0
80.61761	0.5
81.03410	0.8
83.04968	5.7
85.02887	4.5
87.04407	0.9
89.03906	1.5
91.03902	0.6
93.03395	0.9
95.04938	0.7
97.02866	1.5
101.06010	0.6
107.04906	1.2
111.04430	30.4
114.75811	0.6
117.03378	1.2
121.02825	1.5
125.05971	0.8
129.05464	100.0
130.05763	1.0
135.04375	5.1
139.03883	1.9
143.00156	0.7
145.02783	2.6
148.03914	1.3
149.02318	1.7
153.05385	0.8
161.01173	0.7
163.03891	9.8
164.04234	1.3
167.03326	1.1
169.42928	0.6
171.06488	10.6
176.03366	0.8
177.01811	7.9
177.05470	1.4
180.08670	1.0
189.07564	35.1
190.07840	0.7
192.97398	0.6
195.02895	4.8
206.08273	0.7
206.10213	1.8
219.01865	0.7
237.02908	1.0
248.06033	0.5
261.02856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
53.25601	0.8
55.01847	0.9
55.05489	3.3
64.29964	0.7
65.03911	4.3
67.05503	4.9
69.03414	2.7
71.10938	1.2
71.11265	1.3
83.04961	12.0
85.02887	3.1
89.03899	13.0
91.05459	1.8
93.03368	4.8
94.04173	0.8
95.04946	7.1
98.97568	1.5
111.04423	13.2
117.03362	28.2
118.03698	1.1
119.04919	1.6
121.02845	4.6
123.04397	2.9
125.05968	2.5
129.05472	2.5
133.02844	0.9
134.03609	1.5
135.04411	6.9
136.04771	0.8
137.02335	1.1
137.05917	6.8
139.03871	4.7
145.02820	66.7
146.03191	1.1
147.04308	0.9
149.02303	3.5
149.05954	9.0
150.03082	5.7
151.03969	1.1
153.05438	5.6
154.02554	0.9
157.04958	1.5
161.01176	1.4
163.03880	16.5
164.04259	1.7
167.03377	2.5
177.01915	12.7
177.05440	100.0
178.02509	2.3
178.05777	2.6
179.03387	1.8
179.07056	1.8
186.05531	1.2
195.02826	10.3
196.03329	1.0
207.04796	1.7
223.02434	1.2
237.02829	0.9
248.78426	0.8
249.02811	1.3
267.03775	1.7
285.04892	0.9
291.03818	1.9
309.05188	1.6
327.06235	1.4
327.10312	0.9
337.04095	0.8
343.74255	0.9
370.09927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44744	2.7
62.27385	2.4
67.93915	2.3
70.92695	3.6
70.93001	3.0
85.02897	3.2
89.03903	13.9
111.04430	4.0
117.03379	28.1
123.04409	4.9
135.04381	3.5
136.63368	2.5
145.01750	4.3
145.02840	60.4
145.03984	3.9
147.04399	4.9
149.05937	11.5
151.94604	2.6
163.03896	3.3
164.06984	3.4
177.05455	100.0
179.03387	4.4
182.08089	4.2
185.75755	2.5
194.05273	2.6
369.14813	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	369.1176
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
69.98802	7.6
89.03893	9.2
98.21416	2.3
102.27816	1.5
111.04413	2.1
113.95576	1.3
117.03363	24.0
134.03607	1.4
135.04361	2.6
145.02835	57.9
146.03290	1.8
149.05960	10.9
164.06989	1.7
177.05450	100.0
178.05765	2.8
179.03355	1.5
182.08221	1.5
369.17007	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
67.05479	1.6
69.03417	2.4
71.23126	1.3
79.05483	0.6
81.03408	1.4
81.07057	1.0
83.04963	1.1
85.02889	4.5
89.03903	7.4
91.05463	1.1
93.07026	0.8
95.04934	0.7
95.08617	0.8
97.02869	1.1
99.04395	0.8
105.07005	1.5
107.08586	0.7
109.06509	1.1
109.10142	1.0
111.04439	0.9
117.03371	22.1
118.03629	0.7
119.08569	1.2
121.10156	0.6
123.11678	2.8
127.03897	0.7
133.10097	1.2
134.03615	2.2
135.04401	1.9
135.08038	0.6
137.05972	0.6
145.02831	55.1
146.03192	1.6
147.08040	0.7
147.11703	0.7
149.05963	8.4
149.09590	1.8
151.11163	2.2
161.09648	0.8
161.13226	1.0
163.03787	0.7
163.11197	1.1
174.10428	1.3
177.05453	100.0
178.05792	2.9
186.05609	0.9
189.12756	6.0
191.14317	1.4
207.13789	5.1
309.54626	0.6
315.15930	0.6
351.18027	1.4
369.19003	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	369.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
53.44899	1.2
53.69269	1.1
55.01855	3.4
55.05498	2.1
57.03428	2.7
57.44508	1.3
59.26717	1.2
60.93478	1.6
61.02920	1.8
65.03918	2.0
67.05486	4.1
67.61973	1.4
69.03111	1.7
69.03429	19.8
69.07046	2.2
69.07662	1.3
69.72205	1.1
70.00401	1.4
70.07718	1.2
71.04987	11.6
71.56433	1.8
74.51899	1.7
79.05483	9.2
81.03407	5.5
81.07051	7.3
83.04971	3.1
85.02896	11.7
89.03920	8.0
91.05471	16.7
93.07028	13.6
95.04955	4.5
95.08587	5.8
97.02883	9.5
97.06523	2.2
99.04448	30.8
103.05476	1.8
105.07021	69.6
107.04949	4.8
107.08600	9.4
109.02876	2.4
109.06509	4.6
109.10133	3.1
111.04440	1.6
111.08054	1.8
115.05401	2.0
117.03367	9.7
117.06993	2.6
119.04945	2.3
119.08557	12.1
121.04346	1.2
121.06492	6.1
121.10120	4.4
123.04423	3.5
123.08067	6.3
123.11691	4.2
127.03896	11.1
128.06215	3.2
129.07013	2.0
131.04901	1.7
131.08572	4.3
133.06462	11.6
133.10120	48.8
134.10416	1.7
134.33665	1.2
135.04414	20.5
135.08043	2.1
135.11676	2.4
137.02379	1.9
137.05959	4.8
137.09528	2.3
143.08548	7.6
145.02835	15.4
145.04944	1.5
145.06465	2.3
145.10086	8.1
146.07242	4.5
147.04395	1.5
147.08104	2.5
147.11641	2.4
149.09509	2.3
151.07539	5.8
151.11194	3.5
159.08038	2.6
159.11679	1.9
160.07661	1.4
161.05988	2.7
161.09612	67.9
162.09839	2.7
163.03889	100.0
163.11165	19.5
164.04274	3.9
165.01811	5.6
167.03378	3.5
171.08043	1.7
173.09618	1.5
177.05466	5.5
179.03304	1.4
179.10640	31.1
181.04942	2.9
183.02858	3.7
185.04181	13.3
187.07494	1.9
189.09081	20.1
189.12694	7.5
198.92413	1.5
207.06624	1.4
207.09972	37.6
207.13826	5.0
208.10309	2.0
225.11191	3.9
252.54231	1.4
256.24399	1.4
285.07648	3.2
310.88736	1.4
341.06549	3.0
369.05939	5.2
369.15363	28.5
369.19730	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53740	4.7
61.02922	5.5
67.84621	5.3
69.03416	25.6
69.61887	28.9
83.04974	19.1
85.02897	38.7
91.05455	7.2
93.07023	17.7
95.04967	11.5
97.02895	14.7
99.04439	6.3
102.21935	5.2
105.07004	20.5
107.08574	7.4
109.02884	7.9
109.06493	10.8
119.08551	11.8
121.06467	11.2
121.10116	12.1
123.08038	5.4
127.03890	6.1
133.10092	29.0
135.08037	9.2
137.09602	15.1
145.04924	11.6
145.10040	8.3
147.08014	10.5
147.11679	8.9
149.09587	29.2
151.11151	100.0
161.09607	20.4
161.13188	8.8
163.11153	29.1
171.11711	9.3
174.10378	21.1
179.03499	6.1
179.10612	39.0
189.12737	69.7
191.14296	68.0
191.15851	8.4
205.12224	14.0
207.13779	80.9
335.69138	5.9
345.87497	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	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16816	4.4
52.50750	5.4
55.05495	5.9
56.06124	5.3
57.03429	5.6
58.68068	4.2
61.02928	6.7
67.05518	10.6
69.03406	22.9
69.92665	25.3
70.06594	5.5
79.05468	11.1
81.03403	12.7
81.07051	13.7
83.04963	15.1
85.02084	4.9
85.02901	49.9
91.05460	13.7
93.07040	16.4
95.04944	15.4
97.02883	18.9
98.20758	7.6
99.04436	7.4
103.03943	4.4
103.54616	4.4
105.07044	29.1
107.08599	9.2
109.02888	11.9
109.06490	10.7
109.10126	9.9
110.62669	5.0
117.07027	6.7
119.08567	21.2
119.23564	4.4
121.06514	14.2
121.10125	8.0
123.08089	7.1
127.03909	11.7
129.30612	4.4
131.08563	10.0
133.06517	5.2
133.10085	36.6
135.08025	5.7
135.11702	4.8
137.05942	9.0
137.09583	15.0
141.90945	4.7
143.08551	6.8
145.04950	11.4
145.10117	11.4
146.15587	4.6
147.04395	9.1
147.08006	6.3
147.11679	10.4
147.85176	4.8
149.05981	5.8
149.09610	39.6
151.07509	9.1
151.11163	100.0
156.09363	6.6
159.08054	9.6
161.09550	24.3
161.13292	6.1
163.07542	8.6
163.11180	32.3
171.11682	9.4
173.13278	6.5
174.10419	18.8
177.05490	12.9
179.10675	35.0
189.12724	88.8
191.14273	54.5
205.12152	6.8
207.13760	82.8
279.86093	5.0
369.15128	6.8
369.19263	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	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56372	2.2
50.88161	2.3
55.05505	3.5
62.01690	2.3
67.05518	2.6
67.49835	2.4
69.03418	11.6
70.99834	7.1
73.02932	3.3
75.00606	2.6
79.05477	3.2
81.03412	3.8
81.07029	5.1
83.04952	5.5
85.02901	19.1
91.05478	7.5
93.07004	6.8
95.04918	3.4
97.02879	8.6
102.11551	2.3
105.07021	17.1
107.08581	9.8
109.02859	9.3
109.06507	7.4
109.10143	3.5
117.06995	3.0
119.04962	3.2
119.08566	14.0
121.06521	4.5
121.10144	9.8
123.08028	2.9
127.03902	4.2
131.08601	2.7
133.06494	3.6
133.10138	20.0
135.08049	4.1
137.09619	10.2
145.06430	2.9
145.10095	7.5
147.08086	6.1
147.11684	8.7
148.58253	2.8
149.09602	21.5
151.11166	79.9
152.11459	3.1
156.09349	5.5
159.08023	10.8
161.09625	6.8
161.13231	9.0
163.11177	15.1
167.03372	3.5
171.11723	7.8
173.13196	4.7
174.10370	40.2
177.05498	5.4
179.10677	4.3
187.11191	5.1
189.12721	100.0
191.14290	35.0
207.13785	51.5
229.18887	2.3
231.38608	2.3
250.86922	2.5
369.05933	4.3
369.19077	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	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.51929	1.0
65.03926	2.8
67.05488	6.5
69.03432	4.4
70.02453	2.6
70.02856	3.5
77.03928	2.3
79.05486	3.9
81.03436	1.3
83.04972	12.5
85.02904	5.2
93.03403	5.7
94.63144	1.0
95.04973	7.7
97.02896	1.2
98.20754	1.5
104.18372	1.1
105.03399	8.2
105.07015	1.2
107.04946	26.1
109.02900	1.1
111.04429	18.1
120.08124	1.2
121.02863	3.7
123.04410	9.6
129.05470	7.7
131.04921	1.6
133.02838	34.9
135.04401	1.9
139.03876	12.9
146.09628	4.4
147.04390	1.3
148.07553	8.3
149.05991	1.5
150.03120	4.5
151.03906	13.4
157.04950	9.5
161.02330	19.8
163.03912	1.4
168.51425	1.0
175.06027	8.3
178.02611	1.4
178.04947	1.3
179.03383	100.0
180.03720	1.5
190.08640	1.3
191.07007	2.0
196.03445	1.3
203.05516	1.1
204.08684	3.5
208.09653	5.2
353.08530	1.9
370.15085	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	371.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05509	5.6
56.96287	1.7
56.96558	30.1
57.03419	3.5
58.06576	1.2
58.99865	2.3
61.02909	3.4
65.03934	18.1
67.05495	7.0
69.03419	7.4
71.36584	1.8
73.02911	2.4
73.04745	14.2
76.96453	1.0
77.00915	2.1
79.05484	3.3
81.03410	7.1
81.95733	1.0
83.04973	10.2
84.96037	3.7
85.02888	10.4
86.74837	1.1
89.03900	10.7
91.05789	59.5
93.03384	24.8
93.50642	1.2
95.01949	1.2
95.04355	1.8
95.04962	21.0
97.02886	5.1
98.97568	6.3
102.01546	1.9
105.00358	2.9
105.04498	1.2
107.04942	3.3
109.02898	1.8
110.97568	1.4
111.02035	1.3
111.04415	11.2
113.00848	1.2
113.02342	2.2
114.07357	4.1
115.02417	1.6
116.98616	3.7
117.03347	7.4
119.01901	5.5
121.02852	73.2
123.01246	2.0
123.04443	3.2
125.04494	6.1
127.03922	4.3
128.02223	1.6
128.98553	2.1
129.03976	2.0
129.05467	2.1
131.01891	4.6
133.03462	2.1
135.04398	19.2
136.04765	1.2
139.02402	4.6
139.03886	6.4
140.02330	1.6
141.03961	4.0
143.00116	7.3
143.01868	1.8
145.02812	6.1
145.03545	5.6
145.04872	2.1
146.03287	1.2
146.99586	3.4
147.05006	1.5
147.06541	1.1
151.02446	3.9
151.03706	1.7
153.03951	11.2
155.01796	2.0
155.02940	1.3
157.01660	1.5
157.03491	6.5
159.04956	6.5
161.01151	10.7
161.02461	1.7
163.03879	100.0
164.04242	8.4
165.00653	1.5
167.00130	1.3
167.05521	3.5
169.01788	5.2
169.03439	40.4
170.03697	1.6
170.99736	4.0
171.01434	5.4
171.03441	3.4
171.05005	29.1
171.06508	1.4
172.95181	2.1
173.01222	2.3
173.02980	6.7
174.99075	1.5
175.04483	2.1
177.00693	2.3
179.01936	11.9
179.03418	3.2
181.00061	2.2
181.05022	1.6
182.03404	1.6
185.01225	3.3
185.02820	2.2
187.02802	5.6
187.04535	14.8
189.00691	7.9
189.02434	4.2
189.04132	1.3
189.06107	2.4
190.96359	2.4
191.03899	2.1
193.00104	1.4
194.06682	1.9
194.99727	2.3
195.01414	6.8
195.05148	1.8
197.02916	89.8
198.03188	4.9
201.00728	2.0
203.02278	4.0
205.03714	1.3
207.01750	2.9
211.02811	1.4
211.04639	1.9
213.00737	8.3
213.02451	2.2
214.10753	1.6
215.02222	5.2
215.03979	77.5
216.04288	4.7
219.01791	1.9
219.05101	2.7
220.04544	5.2
221.03011	1.9
221.06645	1.8
223.01241	1.8
224.04485	1.8
227.05479	2.3
231.01721	10.8
231.05165	1.7
233.03127	2.6
233.05052	15.7
235.04602	3.4
235.08063	1.5
237.00789	1.5
238.05670	1.9
239.04094	2.9
243.05174	2.4
245.06644	5.1
247.04501	3.0
249.02884	12.6
249.05669	2.4
251.02364	3.0
251.06319	1.8
253.05690	2.3
255.01889	1.6
255.05112	2.1
257.05209	2.0
259.04877	1.2
261.06250	4.6
263.04254	2.0
263.07654	5.4
265.05573	4.0
266.99997	3.1
267.03888	7.3
267.06992	1.6
268.97769	13.7
270.93118	1.2
271.04544	6.2
272.06711	1.9
273.02850	2.6
273.06146	8.3
274.06339	3.3
275.06274	2.4
279.07254	2.4
283.03159	2.6
283.06512	2.0
285.00919	20.8
286.01154	1.9
289.05569	9.4
291.03574	3.7
291.07172	11.8
293.05499	2.7
297.08160	1.9
299.03680	16.7
299.07150	1.5
300.04459	1.2
303.02078	6.3
307.06631	7.0
309.04593	8.1
309.08264	6.9
311.06259	2.5
314.04831	1.5
317.05005	23.4
318.05612	1.8
322.05649	1.8
325.07706	7.0
327.05563	5.4
328.05698	1.5
329.07190	2.8
335.06067	29.7
336.06363	2.2
343.07697	1.5
345.06595	3.8
353.07114	21.2
355.06946	15.4
355.11185	1.8
369.04980	2.1
371.08258	46.0
372.08353	1.9
373.08017	1.8
376.08783	1.5
387.06000	3.0
389.09488	36.5
390.09592	2.0
394.09924	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	371.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03929	1.2
55.01862	0.8
55.05494	1.1
65.03922	1.8
67.05494	4.0
69.03417	1.5
71.19505	1.5
72.07472	0.7
73.04736	2.2
77.03906	0.8
79.05467	1.1
83.04976	6.0
85.02875	2.2
89.03882	2.2
91.05801	5.4
93.03407	1.6
95.04965	9.8
97.02909	0.9
99.04438	0.8
105.03368	4.9
107.04936	1.9
109.02887	1.3
111.04434	6.8
117.03365	1.4
119.47147	0.6
121.02839	0.7
121.10120	1.0
123.04414	26.9
127.03928	1.1
129.05481	3.4
133.02837	34.0
134.03210	1.0
135.04404	5.2
137.02316	7.0
139.03879	5.0
144.29008	0.7
150.03120	2.6
150.05447	1.6
151.03909	20.6
151.05777	1.0
153.09105	1.2
155.03348	1.9
157.04926	2.7
161.02322	22.2
163.03886	3.1
178.04991	2.7
179.03380	100.0
180.03743	3.0
185.33963	0.7
193.04959	0.9
197.04480	7.3
197.06169	1.1
268.97864	1.3
285.00891	2.0
353.08633	0.8
355.07101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
56.96543	4.4
63.93016	1.1
65.03931	2.8
67.05495	3.6
68.99783	4.9
69.03423	4.8
70.06580	1.3
71.52386	1.7
71.52748	1.4
73.04746	10.8
77.03929	2.1
79.05493	1.9
81.03400	3.7
83.04964	6.6
85.02887	4.8
87.04449	1.4
89.03918	5.9
90.32053	1.1
91.05785	67.3
93.03361	1.6
95.04991	7.4
97.02880	2.7
98.97605	2.4
105.03390	5.8
107.04939	2.4
109.02869	2.2
111.04449	9.1
114.07367	2.2
116.98642	2.8
117.03393	2.5
118.39696	1.2
121.02866	2.5
123.04412	22.2
127.03916	1.8
128.98538	1.8
129.05457	3.5
133.02829	23.2
134.03632	1.5
135.04393	11.4
137.02321	100.0
138.02652	1.7
139.03867	7.7
143.00122	1.3
145.02776	2.5
146.99663	1.7
147.06465	1.6
148.80621	1.2
150.03088	2.1
151.03897	15.6
157.04935	1.9
161.01125	2.3
161.02318	14.4
163.03883	30.3
164.04247	3.7
167.05539	2.6
169.03456	2.4
179.03372	64.9
180.03705	1.6
197.02763	2.6
197.04407	20.8
197.06088	1.7
217.07018	3.0
237.02844	5.4
266.99936	3.7
268.97766	14.8
269.98074	2.1
283.03082	2.4
285.00912	23.6
286.01184	1.5
299.06183	3.1
303.02005	6.4
353.08841	2.5
355.06882	15.1
373.08179	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	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.05515	4.4
57.03419	2.1
65.03918	2.2
67.05492	4.1
69.03416	6.6
71.04995	2.4
71.56448	4.1
73.04738	5.4
79.05489	11.7
81.07050	7.3
83.04967	5.3
84.08106	2.5
85.02901	6.4
85.06542	3.3
86.29637	2.4
88.35096	2.0
91.05789	15.1
93.07031	11.8
94.04159	2.4
95.04961	6.3
95.08603	5.7
97.02887	6.7
97.06540	6.5
99.04473	2.3
103.05455	4.5
105.07019	12.6
107.04937	12.8
107.08593	8.7
109.06487	5.0
109.10152	5.3
111.04470	2.4
111.08032	3.8
115.05411	4.2
116.06227	3.5
117.07041	3.7
119.04931	2.9
119.08571	5.8
121.06502	3.9
121.10126	6.5
122.03648	9.3
123.04459	5.7
123.08049	3.6
125.06010	3.4
127.03911	3.8
128.06215	5.9
129.06979	7.7
131.04912	7.3
131.08540	11.7
133.06435	2.7
133.10135	11.4
135.04440	4.0
135.08041	8.6
135.11658	3.1
137.05962	100.0
141.06996	5.8
143.08580	2.4
144.05728	8.2
145.06442	5.9
145.10078	4.8
147.04352	4.7
147.06512	2.7
147.11626	2.9
149.09616	4.2
151.03976	5.5
151.07509	4.1
151.11182	3.4
153.01822	9.8
153.05428	2.7
156.05670	20.4
157.06453	6.2
159.08002	14.6
159.11652	2.8
161.05939	2.6
163.03889	4.9
163.07458	2.8
163.11189	10.4
165.05518	2.7
165.06874	2.1
167.07031	55.5
167.08389	4.6
169.06366	2.8
169.07695	3.1
172.05206	3.8
173.05946	3.9
173.13336	4.5
174.06760	7.0
175.07504	8.7
177.05481	4.7
178.07704	3.8
179.07080	3.3
187.07501	12.5
189.07050	4.4
189.09084	6.3
190.07660	4.0
191.07007	3.7
191.10611	3.3
191.14311	13.7
202.06206	4.3
203.06932	2.7
203.08580	8.5
206.07256	6.2
207.08057	4.7
209.08076	13.0
209.11449	2.5
209.15398	4.8
211.07535	2.8
215.08592	6.4
217.06548	3.6
217.08565	55.4
218.07167	13.8
219.08015	6.8
219.10179	7.7
220.08952	2.5
221.09637	9.2
222.07065	2.0
223.07582	3.3
231.08044	11.1
232.08772	7.7
233.09581	17.7
234.06721	12.3
235.07448	13.7
239.07031	2.5
241.08556	5.3
246.06767	5.1
247.07483	8.4
247.09679	12.7
248.08208	3.2
249.09032	21.5
249.11122	2.3
250.06293	3.0
250.09698	4.9
251.07034	4.9
252.07967	3.3
259.07663	2.5
260.08392	8.0
261.09058	28.5
262.06229	5.3
262.09775	5.3
263.07013	15.0
263.10687	4.4
264.07745	2.8
265.08600	4.7
266.09311	5.6
267.09863	2.3
268.97754	3.2
269.07980	3.0
275.10559	2.8
277.08557	20.4
278.09314	15.9
279.06686	3.7
279.09882	3.4
280.07288	3.2
281.11639	5.8
283.09790	4.8
285.00967	9.1
285.07574	8.5
288.07770	2.5
289.08609	9.9
291.10101	5.5
292.07404	2.6
292.10938	3.2
293.08160	6.8
293.11737	18.8
294.08752	3.9
295.09631	5.7
300.09933	5.6
301.10660	5.1
306.08893	8.6
307.09503	7.2
309.11154	21.5
310.11862	4.5
311.09146	4.6
313.10718	2.7
318.28403	3.0
321.11151	29.1
322.11658	2.6
323.09067	4.9
326.11322	20.9
327.12360	3.9
338.11417	6.4
339.12119	3.6
341.13742	12.9
353.13760	43.2
355.07053	3.0
371.16910	77.1
372.16809	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
54.43618	1.7
55.01856	3.2
55.05503	3.9
57.03422	2.4
63.83265	1.6
65.03938	2.0
67.05499	3.7
69.03407	8.6
69.07025	3.2
69.92422	6.3
69.92832	4.0
71.04959	4.2
79.05489	12.8
80.73246	1.8
81.03411	2.3
81.07051	8.8
85.02908	4.2
85.06529	1.8
91.05404	13.9
93.07030	12.0
94.04176	3.3
95.04957	4.5
95.08573	5.7
96.97346	1.7
97.02881	3.5
97.06521	3.4
97.10146	1.7
98.20682	1.8
98.97574	2.6
99.04430	3.3
100.11245	2.6
101.05984	2.5
103.05438	4.6
105.07013	13.8
107.04948	12.6
107.08573	13.3
107.82890	2.2
109.06494	6.6
109.10138	3.9
115.05456	3.3
117.06998	3.7
117.51809	1.5
119.08562	5.7
121.06492	7.1
121.10124	9.5
122.03635	7.3
123.04388	3.6
123.08062	2.9
123.11709	2.3
124.05199	2.5
125.05959	3.4
125.09608	2.0
127.03911	2.6
128.06198	7.3
129.06964	11.0
131.04924	6.9
131.08601	8.8
132.05670	1.7
133.06491	2.1
133.10097	2.4
135.04353	2.8
135.08025	7.1
135.11639	4.0
135.77089	1.9
136.83159	1.6
137.05963	100.0
139.03778	1.6
141.06999	7.0
143.04865	3.3
144.05666	10.2
145.06465	3.3
145.10098	11.4
147.04402	4.9
147.11693	3.5
149.05991	3.1
149.09616	4.5
151.03908	7.6
151.07541	5.5
153.05460	2.2
156.05688	28.7
157.06454	7.5
158.07277	3.5
159.08040	17.1
160.05194	4.3
161.05954	4.3
161.09630	2.3
163.07614	2.4
163.11174	14.8
167.07022	24.0
169.06418	4.2
172.05118	3.0
173.05952	3.4
173.13326	1.8
174.06717	6.5
175.07552	9.2
177.05453	3.4
177.06894	1.9
177.08984	2.0
178.07851	4.3
179.06956	2.5
179.08406	2.2
181.04877	1.8
181.12215	6.1
186.06779	3.1
187.07516	14.8
189.06984	4.3
189.09111	5.6
190.06229	2.8
190.07787	6.2
191.06989	4.5
191.08894	2.3
191.10637	14.1
191.14276	5.2
192.07744	3.9
193.08542	3.7
193.10144	3.2
195.08052	2.1
202.06221	6.5
202.07793	4.6
203.08556	9.2
204.07745	2.4
205.06505	4.1
205.08440	3.6
205.10184	3.3
206.07288	10.0
207.06364	1.9
207.08099	4.8
209.11642	4.2
209.15369	4.1
211.07736	2.0
215.06839	3.8
215.08606	5.3
217.06523	3.5
217.08569	82.7
218.07190	11.2
219.08002	9.6
219.10162	6.5
220.08797	2.0
221.09654	8.9
222.06816	1.9
223.07573	6.7
224.08226	2.6
226.06242	3.1
227.12758	3.6
229.08554	5.9
231.08101	12.7
232.08817	4.2
233.06081	3.0
233.09598	10.2
234.06721	15.9
235.07530	11.3
238.09885	4.2
239.07040	5.4
241.08545	4.6
242.05850	2.4
246.06805	6.7
247.07434	6.6
247.09673	18.4
248.08267	5.2
249.09082	27.0
250.06238	3.0
250.09540	3.9
251.06998	7.0
251.10550	3.0
252.07652	4.1
260.08377	6.4
261.09045	23.2
262.06177	5.3
262.09622	2.8
263.07053	9.5
263.10574	4.0
264.07684	3.1
265.08582	5.9
265.84482	1.9
266.09357	4.4
267.10107	3.2
269.08072	4.7
275.06995	3.3
276.07901	2.4
277.08606	20.0
278.06342	2.1
278.09326	10.5
279.06537	6.2
279.10040	4.5
280.07327	3.2
281.08524	2.5
281.11703	10.7
283.09546	4.1
285.07596	9.4
289.08636	8.7
290.09311	2.3
291.06561	2.9
291.10071	4.6
292.10928	4.3
293.08054	6.7
293.11664	15.5
294.08841	4.4
295.09576	6.2
296.10309	3.0
297.11154	2.4
300.09833	6.5
301.10754	5.8
305.08072	1.9
306.08841	5.6
307.09634	6.8
309.11200	29.5
310.11703	3.6
311.09219	5.7
311.12582	2.6
313.10635	4.7
321.11166	23.6
322.11893	4.5
323.09067	6.5
326.11481	27.9
327.12006	7.7
338.11429	7.4
339.12265	7.3
341.13873	11.6
343.15543	2.1
353.13760	46.4
371.07443	3.0
371.14896	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Fragransol D
Peak:m/z	Relative Intensity
51.22764	1.9
52.30618	1.9
53.03923	4.3
55.01861	2.0
55.05490	4.9
59.37984	1.7
63.34626	1.8
65.03941	2.7
67.05486	6.2
69.03425	4.3
69.07051	2.7
69.98949	5.0
69.99365	6.7
71.04956	2.8
79.05482	13.6
79.66718	1.8
81.03397	2.2
81.07059	12.8
83.04971	2.4
83.46069	1.8
85.06522	6.8
91.05456	8.7
91.05887	2.5
93.07029	7.6
94.04173	4.8
95.04970	5.8
95.08587	4.5
103.05450	3.4
105.07018	7.2
107.04939	17.7
107.08574	8.0
109.06509	7.7
109.10141	6.2
111.04442	1.9
115.05439	7.5
116.06225	2.3
117.06992	3.8
119.04907	4.7
119.08587	3.5
121.06461	4.3
121.10111	6.4
122.03644	10.2
123.04424	21.1
123.08043	2.4
124.05216	2.6
125.05967	2.4
128.06175	7.0
129.06984	11.9
131.04921	5.9
131.08536	13.1
132.05705	2.6
133.02844	2.6
133.06410	2.1
133.10092	2.5
135.04364	1.9
135.11647	4.0
137.05963	100.0
138.06332	4.2
141.06958	5.0
143.04939	2.8
144.05682	7.2
145.06435	4.5
145.10008	1.9
147.04422	12.3
147.11664	4.8
149.05882	2.5
151.03873	5.9
151.07500	4.4
153.05460	1.8
156.05690	22.8
157.06429	6.9
158.07210	2.3
159.08015	19.1
159.11629	2.5
160.05191	3.3
161.05975	5.0
163.03802	2.8
163.07426	4.1
163.11185	2.2
165.05496	10.1
165.06819	2.1
165.09171	2.4
167.07022	38.4
169.06410	3.3
169.07646	3.4
172.05139	6.3
173.06000	2.1
173.13211	2.1
174.06796	8.7
175.07556	12.6
176.04655	6.6
177.05458	14.9
178.07710	3.8
179.08488	2.0
181.04970	2.2
184.05148	4.6
186.06741	3.4
187.07503	20.7
189.05449	2.5
189.07048	2.6
189.09087	7.4
190.07742	5.0
191.07018	3.4
193.08565	2.5
193.10117	2.5
195.06487	2.1
198.06662	2.4
199.07472	2.3
201.09036	2.5
202.06206	7.9
202.07855	2.7
203.06937	2.6
203.08516	9.3
204.07727	2.1
205.06570	4.4
205.08554	5.3
205.10188	2.8
206.07259	6.3
207.08162	3.4
210.06752	2.4
211.07535	4.2
215.06824	3.3
215.08609	6.3
217.06494	4.4
217.08563	60.7
218.07144	10.3
219.08022	6.4
219.10144	23.9
221.09586	6.3
223.07530	5.4
226.06174	4.2
229.08701	2.4
231.07980	8.3
232.08743	5.3
233.09601	14.9
234.06798	10.1
235.07513	13.6
236.08112	1.8
237.05553	3.9
237.09102	3.6
238.09811	2.8
239.07021	17.9
241.08571	13.6
242.05653	4.6
246.06827	6.1
247.07410	8.5
247.09634	27.1
248.08220	4.5
249.09090	22.8
250.05994	2.6
250.09918	4.9
251.07011	6.9
251.10750	2.9
252.07759	12.0
253.08566	2.9
255.06665	2.2
256.03677	2.7
257.08109	5.1
260.08264	7.8
261.09055	26.0
262.06235	3.3
262.09760	5.0
263.07037	10.5
263.10544	4.0
264.07776	6.6
265.08588	5.1
266.09320	7.1
267.10065	3.3
269.08014	7.1
271.05908	10.7
277.08490	21.0
278.09338	14.2
279.06476	5.7
279.10098	3.2
280.07104	4.8
281.08356	2.3
281.11755	10.2
283.09579	5.8
283.97403	2.0
285.07535	48.5
285.10510	2.1
286.08322	5.0
289.08554	8.1
290.09250	3.1
291.06598	3.9
291.09976	3.4
292.10751	2.4
293.08060	5.5
293.11667	20.1
294.08838	4.2
294.12146	2.5
295.09637	4.6
298.08398	3.6
300.06589	3.1
300.09912	48.0
301.10623	19.3
306.08798	7.0
307.09509	6.8
309.11111	18.6
310.11844	2.5
311.09189	3.6
311.12619	4.4
313.10703	11.6
317.24780	2.7
321.11197	35.4
322.11816	4.9
323.09250	9.1
324.09665	2.3
325.10574	2.5
326.11292	17.4
327.12415	3.3
329.09970	3.8
338.11411	8.4
339.12357	18.2
341.13660	12.8
343.15262	2.8
353.13794	54.8
353.18140	3.2
354.14157	2.9
355.06775	2.7
371.14948	41.2
372.15457	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	371.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01854	5.0
55.05489	8.8
57.03427	6.2
61.02908	2.8
62.36730	2.6
62.42529	2.5
65.03944	2.4
67.05493	8.9
69.03424	24.8
69.07050	6.0
70.06573	5.7
71.04989	8.7
71.54454	2.5
73.04747	4.4
79.05492	25.5
81.03408	10.9
81.07054	16.9
83.04961	7.5
85.02907	21.3
85.06555	3.8
91.05475	14.4
91.05892	4.1
93.07030	42.4
95.04958	14.7
95.08611	8.4
97.02888	8.8
97.06522	3.4
99.04462	13.8
100.11258	5.5
103.05469	2.6
105.07024	81.3
107.04940	16.9
107.08583	77.6
109.02818	4.1
109.06499	10.9
109.10086	6.0
111.08088	5.0
117.07005	7.0
119.08555	22.1
121.06487	19.8
121.10125	32.5
122.03634	4.6
122.71409	2.7
123.04424	7.7
123.08064	4.5
124.05210	3.5
127.03928	11.1
128.06215	5.0
129.06960	9.4
130.07753	3.6
131.08574	11.1
133.06474	4.3
133.10118	16.3
135.08023	12.8
135.11702	16.1
137.05974	52.4
137.09570	3.6
141.06923	3.3
145.04890	2.7
145.10109	42.2
147.04485	2.8
147.07915	2.3
147.11676	4.0
149.05942	5.4
149.09618	12.8
151.03865	5.3
151.07486	4.1
151.11125	3.1
156.05666	8.2
157.06490	6.4
159.08038	10.1
161.05971	3.5
161.09538	3.4
161.99368	2.4
163.11166	100.0
165.12735	6.0
165.74677	2.7
167.07024	29.1
173.09645	6.0
173.13260	6.6
174.06734	4.4
175.07539	5.7
177.05544	2.8
181.06319	2.7
181.12250	17.3
184.05272	3.5
186.06828	2.7
187.07483	15.5
189.09013	4.8
190.07626	2.6
191.06990	3.1
191.08905	4.1
191.10645	57.5
191.14275	15.3
193.08598	5.2
195.08095	2.5
202.06221	2.7
203.08571	5.0
205.06522	3.3
209.05975	2.5
209.07919	3.3
209.11711	19.4
209.15282	22.3
211.07536	3.9
215.06851	4.5
215.08713	3.5
217.08553	35.5
218.07254	7.5
219.08083	4.8
221.09521	3.7
222.34097	2.5
223.07413	3.0
227.12773	10.0
231.08000	5.6
233.09561	7.8
234.06844	4.1
235.07549	8.9
239.07002	4.6
241.08611	6.2
247.07443	4.4
247.09631	12.2
249.09102	13.1
250.09802	2.9
260.08237	3.6
261.09067	10.8
262.06216	3.4
263.06961	9.3
264.07706	4.2
265.08575	5.5
266.09308	3.5
269.07877	3.5
277.08505	12.0
278.09232	7.1
279.06369	2.7
279.10043	3.3
281.11575	3.9
285.01083	5.5
285.07538	13.0
289.08493	2.9
291.06604	2.7
293.08307	3.7
293.11642	13.2
295.09686	4.6
300.09909	13.7
301.10559	7.1
307.09546	3.7
309.11209	11.0
311.12561	3.0
321.11206	13.2
323.09073	6.3
326.11426	8.8
339.12286	8.6
341.13818	7.8
353.13599	25.8
371.14795	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	371.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01867	4.0
55.05497	6.5
57.03423	7.3
65.03920	4.1
67.05483	12.2
69.03423	35.8
69.07051	5.8
71.04983	8.1
71.57098	3.6
73.04720	5.9
74.93809	2.9
79.05486	19.4
81.03399	8.2
81.07038	12.9
83.04976	3.5
85.02890	11.3
85.06520	4.0
91.05441	54.0
93.07031	42.3
95.04949	10.7
95.08591	7.5
97.02862	13.4
97.06511	8.3
99.04431	15.2
101.05978	5.5
105.06361	4.1
105.07020	58.4
107.04948	10.9
107.08588	46.2
109.02839	3.2
109.06515	6.1
109.10176	4.9
111.08073	4.4
115.05460	2.8
117.07008	8.8
119.08569	26.0
121.06488	32.5
121.10134	43.4
123.04401	10.1
123.08066	6.4
127.03916	9.2
129.06961	8.1
130.07869	3.3
131.08539	12.6
133.06425	4.5
133.10117	6.7
135.08015	15.9
135.11682	15.7
137.05959	40.2
141.06969	6.1
144.05719	3.9
145.06509	3.3
145.10101	44.5
147.04413	9.3
147.11702	6.5
149.05914	5.7
149.09593	15.6
151.03891	20.4
151.07481	3.8
155.08537	3.7
156.05676	11.5
157.06416	4.7
158.07150	3.1
159.08029	11.8
161.06012	5.8
161.09612	4.0
163.11166	100.0
165.05362	4.1
165.09143	4.4
167.07060	15.9
173.09607	10.4
175.07498	6.4
177.05429	4.5
181.04982	3.4
181.12222	25.0
187.07558	15.5
189.09093	4.6
190.07707	6.8
190.11003	2.8
191.08862	6.5
191.10649	82.6
191.14281	8.2
192.10869	3.3
201.09151	4.3
206.07204	5.4
209.11716	25.4
217.08569	32.2
218.07214	4.6
219.08083	6.5
219.10173	11.0
227.12756	34.3
231.08087	5.0
232.08743	4.2
233.09547	7.8
234.06691	8.4
235.07564	5.6
237.09113	4.1
239.07072	5.3
247.07507	6.6
247.09686	7.2
248.08405	4.4
249.09033	14.0
251.10616	3.6
261.09055	13.6
262.09488	3.8
263.06976	5.8
265.08554	5.2
269.08109	3.1
277.08524	16.0
278.09366	5.8
279.06784	3.4
279.09991	3.5
280.07138	3.3
285.07587	10.4
289.08475	3.9
291.10284	5.0
293.08459	4.0
293.11584	11.0
297.18146	2.8
300.09833	8.1
306.08841	3.6
307.09616	4.8
309.11191	12.0
311.09229	5.2
311.12811	3.8
321.11118	12.7
323.09073	7.7
326.11380	8.5
327.12015	3.0
339.12225	19.2
340.12820	4.0
341.13687	6.2
353.13452	19.2
371.07462	6.8
371.15656	25.4
371.20383	24.5
394.18314	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	371.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01867	4.0
55.05497	6.5
57.03423	7.3
65.03920	4.1
67.05483	12.2
69.03423	35.8
69.07051	5.8
71.04983	8.1
71.57098	3.6
73.04720	5.9
74.93809	2.9
79.05486	19.4
81.03399	8.2
81.07038	12.9
83.04976	3.5
85.02890	11.3
85.06520	4.0
91.05441	54.0
93.07031	42.3
95.04949	10.7
95.08591	7.5
97.02862	13.4
97.06511	8.3
99.04431	15.2
101.05978	5.5
105.06361	4.1
105.07020	58.4
107.04948	10.9
107.08588	46.2
109.02839	3.2
109.06515	6.1
109.10176	4.9
111.08073	4.4
115.05460	2.8
117.07008	8.8
119.08569	26.0
121.06488	32.5
121.10134	43.4
123.04401	10.1
123.08066	6.4
127.03916	9.2
129.06961	8.1
130.07869	3.3
131.08539	12.6
133.06425	4.5
133.10117	6.7
135.08015	15.9
135.11682	15.7
137.05959	40.2
141.06969	6.1
144.05719	3.9
145.06509	3.3
145.10101	44.5
147.04413	9.3
147.11702	6.5
149.05914	5.7
149.09593	15.6
151.03891	20.4
151.07481	3.8
155.08537	3.7
156.05676	11.5
157.06416	4.7
158.07150	3.1
159.08029	11.8
161.06012	5.8
161.09612	4.0
163.11166	100.0
165.05362	4.1
165.09143	4.4
167.07060	15.9
173.09607	10.4
175.07498	6.4
177.05429	4.5
181.04982	3.4
181.12222	25.0
187.07558	15.5
189.09093	4.6
190.07707	6.8
190.11003	2.8
191.08862	6.5
191.10649	82.6
191.14281	8.2
192.10869	3.3
201.09151	4.3
206.07204	5.4
209.11716	25.4
217.08569	32.2
218.07214	4.6
219.08083	6.5
219.10173	11.0
227.12756	34.3
231.08087	5.0
232.08743	4.2
233.09547	7.8
234.06691	8.4
235.07564	5.6
237.09113	4.1
239.07072	5.3
247.07507	6.6
247.09686	7.2
248.08405	4.4
249.09033	14.0
251.10616	3.6
261.09055	13.6
262.09488	3.8
263.06976	5.8
265.08554	5.2
269.08109	3.1
277.08524	16.0
278.09366	5.8
279.06784	3.4
279.09991	3.5
280.07138	3.3
285.07587	10.4
289.08475	3.9
291.10284	5.0
293.08459	4.0
293.11584	11.0
297.18146	2.8
300.09833	8.1
306.08841	3.6
307.09616	4.8
309.11191	12.0
311.09229	5.2
311.12811	3.8
321.11118	12.7
323.09073	7.7
326.11380	8.5
327.12015	3.0
339.12225	19.2
340.12820	4.0
341.13687	6.2
353.13452	19.2
371.07462	6.8
371.15656	25.4
371.20383	24.5
394.18314	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	371.2061
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03941	2.5
55.01867	1.6
55.05501	2.4
57.03421	1.6
61.02916	3.5
65.03912	1.1
67.05492	3.1
69.03426	12.0
69.07053	2.4
69.90576	1.9
69.90992	4.8
71.04970	2.0
72.70610	1.1
73.02902	1.7
73.04758	1.2
78.13277	1.0
79.05478	3.6
81.03416	8.3
81.07034	6.1
83.04959	3.4
83.08601	1.1
85.02899	28.8
86.12666	1.1
91.05453	2.0
91.82445	1.0
93.07039	3.0
95.04951	5.3
95.08613	6.1
95.21849	1.1
97.02895	8.1
99.04481	1.5
105.07013	3.4
107.04931	3.8
107.08577	12.5
109.02868	2.8
109.06515	6.6
109.10106	2.2
119.04962	1.3
119.08581	4.3
121.06500	1.8
121.10133	13.0
122.07196	1.5
123.04389	8.6
123.08033	5.6
123.11714	2.8
127.03921	5.8
130.40182	1.3
131.08551	2.3
133.10114	5.7
135.08051	4.5
135.11697	2.0
137.05928	2.0
137.09613	11.4
139.03886	1.7
145.04941	7.9
147.04375	5.3
147.11650	3.4
149.09633	10.4
149.13274	6.4
151.03882	11.2
151.11179	16.2
165.05453	2.0
165.12743	45.1
167.07024	2.7
173.13245	3.2
191.14328	14.3
193.15810	1.2
209.15350	100.0
210.15695	4.5
219.10181	8.7
219.66644	1.5
234.06613	1.5
235.07440	1.8
239.10593	1.6
240.07777	1.3
251.07045	1.5
253.08322	1.5
261.09042	1.4
267.10278	2.9
269.08148	2.1
277.08612	2.7
278.09586	1.8
281.07980	1.6
283.09637	7.8
291.10190	1.5
293.11774	1.6
295.09601	4.2
299.06662	1.3
309.11188	1.6
313.10754	3.6
321.11136	1.9
328.12979	14.9
329.13727	1.3
339.12259	3.4
341.13950	1.3
353.13791	3.2
371.14838	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	371.2058
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03932	3.4
55.05495	8.7
57.03424	3.8
57.07062	2.7
60.77422	1.6
61.02909	2.6
65.03935	1.7
67.05499	8.0
67.67600	1.6
69.03413	15.4
69.07053	7.6
69.69239	3.3
69.69635	10.3
71.04958	7.6
72.08141	1.7
73.04737	2.3
79.05472	7.5
81.03391	4.7
81.07034	12.3
83.04964	11.0
83.08608	8.7
85.02888	20.7
85.06522	4.7
89.13570	1.7
90.01148	1.6
91.05858	11.7
91.43042	1.5
93.07022	15.0
95.04954	100.0
95.08566	5.8
96.05264	2.5
97.02866	7.6
97.06510	2.9
98.21465	3.0
99.04441	23.6
104.00608	1.8
105.07001	6.8
107.04932	4.9
107.08581	16.1
109.02833	6.4
109.06472	2.4
109.10131	8.5
111.04416	4.9
111.08014	2.8
112.68556	1.6
113.05975	2.0
119.08547	4.7
121.09305	2.7
121.10130	35.4
123.04421	4.9
123.08025	2.9
127.03886	8.3
129.05498	3.2
131.07033	1.8
131.08534	2.7
133.02835	2.2
133.06468	1.7
133.10106	6.5
134.03108	1.7
135.08025	4.6
135.11665	3.4
137.05934	3.0
137.09579	2.5
139.03777	1.6
139.11168	3.4
145.04915	3.3
145.08557	3.2
147.04384	2.5
147.11700	2.2
149.06070	1.7
149.13202	3.8
151.03778	2.1
151.07526	3.1
151.11122	5.6
153.09090	30.7
161.02274	2.2
163.03835	5.3
163.07468	1.8
163.14792	8.5
167.14310	8.0
173.13196	3.2
179.03374	6.3
180.03703	5.1
181.12196	6.7
191.10756	2.0
191.14319	9.8
209.15326	42.4
210.15637	1.9
221.15308	2.2
268.97687	2.6
285.00787	4.4
317.17007	2.2
355.06754	3.9
371.16360	4.0
371.20563	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.7
55.05494	8.1
57.03429	4.4
57.07071	1.5
61.02907	1.6
65.03921	1.7
65.70952	1.5
67.05499	7.5
69.03418	16.2
69.07053	3.8
70.06572	2.8
71.04972	8.7
71.57416	1.9
73.04736	1.7
78.04688	1.2
79.05477	6.3
81.03395	3.9
81.07039	7.9
81.78931	1.3
83.04974	6.8
83.08605	2.6
85.02891	14.3
85.06545	3.2
85.80321	1.3
86.09642	1.5
86.38660	1.2
87.04458	1.6
91.05444	6.5
91.05869	3.1
93.07036	15.1
95.04955	100.0
95.08593	7.0
96.05305	1.8
97.02882	9.2
97.06497	3.9
99.04439	28.0
100.11227	6.0
101.06003	1.7
105.07014	19.8
107.04932	4.7
107.08586	21.1
108.59888	1.2
109.02857	2.4
109.06488	6.1
109.10123	4.4
111.04416	2.6
111.08062	5.2
117.06990	2.1
119.08574	8.7
121.06463	6.0
121.10123	12.8
122.03656	1.7
123.04409	3.3
123.08049	2.6
125.09652	8.3
127.03883	7.6
129.06950	3.0
131.08562	7.5
133.06363	1.7
133.10121	14.5
133.11061	1.9
135.08051	10.1
135.11684	6.9
137.05946	14.4
137.09587	4.3
143.08502	3.1
144.05582	1.5
145.04919	2.8
145.10115	13.1
147.11673	5.1
149.05968	2.4
149.09621	7.2
149.13234	3.5
151.03897	2.9
151.07501	2.4
151.11157	3.8
153.09099	30.7
155.07063	1.6
156.05675	2.4
157.06522	1.8
158.10863	3.3
159.08066	2.7
161.09630	1.9
162.10085	1.3
163.11153	26.3
163.14793	4.1
165.12778	1.9
167.07021	12.1
167.14334	1.7
173.09673	1.7
173.13234	11.4
175.07481	3.3
177.05513	2.3
181.04985	2.0
181.12204	7.0
182.15315	3.1
187.07492	3.1
189.58670	1.3
191.10658	16.4
191.12383	2.0
191.14272	38.7
192.14552	2.2
207.08121	1.9
209.11888	6.7
209.15324	52.7
210.15251	2.2
217.08589	7.7
219.08034	2.4
221.09697	2.9
227.12779	3.3
233.09610	2.6
234.06783	2.4
235.07565	3.4
247.09749	2.3
249.09204	1.9
261.09076	4.4
263.06995	1.9
265.08511	3.0
276.72699	2.1
277.08557	4.6
278.09204	2.1
281.11612	1.8
285.01016	2.9
285.07562	4.6
293.08420	1.4
293.11588	2.9
295.09692	2.2
300.09814	2.4
306.08990	1.7
307.09537	1.9
309.11224	2.5
321.11172	5.0
326.11127	1.5
329.14468	1.4
339.12186	4.3
353.13742	9.5
354.14084	1.5
362.27332	3.5
362.77225	1.8
371.15027	8.8
371.20737	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74552	5.3
65.15463	6.1
67.67757	5.8
71.10587	12.7
81.07044	11.1
92.84546	5.3
96.90787	5.2
107.08588	15.1
109.06480	7.6
109.10168	6.1
121.10159	13.7
123.04459	5.8
133.10100	100.0
135.08023	7.1
137.05936	8.6
137.09610	56.3
149.13208	11.1
151.03812	8.8
173.13249	8.7
191.14275	38.9
209.15419	7.4
209.54486	6.4
284.92511	7.1
356.52975	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	14.0
58.48643	10.3
58.56180	11.7
58.62951	11.4
64.25163	11.5
67.05515	15.4
69.03431	28.7
69.07053	16.9
71.15873	12.3
71.16194	27.3
72.42447	13.6
79.05486	28.2
81.07052	32.6
83.08607	18.0
85.02900	35.2
91.05822	24.4
93.07027	41.4
95.04952	35.1
95.08607	24.4
98.97575	19.7
99.70719	11.9
101.06053	15.8
103.01759	12.5
105.07018	35.3
107.04961	16.2
107.08578	38.7
109.10144	18.6
116.98624	15.8
119.04944	16.2
121.06525	22.7
121.10123	32.9
121.43461	12.9
123.04415	23.4
128.60361	11.5
130.06543	13.6
131.04973	15.9
131.08556	15.0
133.10129	52.9
135.08031	19.5
137.06003	35.4
139.11171	13.4
147.04396	22.5
149.13222	23.9
151.07555	17.4
151.11174	74.9
161.05899	23.5
163.14799	18.6
164.36322	12.1
167.07033	24.2
173.13231	21.5
175.07576	13.1
177.00856	12.7
181.08546	34.8
191.14301	100.0
192.12744	13.7
201.09003	11.9
209.15308	79.8
214.52167	13.3
216.44449	11.3
217.08504	28.3
225.03761	13.8
311.12704	18.2
339.12198	22.3
371.14926	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2577
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
55.05498	28.5
57.07071	14.7
60.87724	8.1
67.05495	22.6
69.05088	7.5
69.07056	38.5
69.24059	82.8
79.05499	39.7
81.07064	62.0
83.04948	7.5
83.08603	17.4
88.07630	13.3
91.05441	34.7
93.07029	87.2
95.04955	17.3
95.08598	58.2
97.06528	9.2
98.20663	15.1
105.07022	75.7
107.08583	88.0
109.06489	12.4
109.10136	30.8
111.08064	20.6
117.06995	16.4
119.08567	97.8
121.06508	11.4
121.10127	57.2
123.08013	20.7
123.11715	10.2
125.09615	22.6
127.27015	7.2
129.06989	9.8
130.07768	6.8
131.08563	33.7
133.06490	20.0
133.10126	73.0
135.08052	58.2
135.11699	19.5
137.09593	30.3
142.07745	8.7
143.08542	27.1
145.10141	49.4
147.08032	16.7
147.11711	49.4
149.09621	45.9
149.13237	17.4
151.11165	22.0
153.09105	11.4
155.08652	7.8
156.09319	7.7
157.10107	26.3
159.07974	10.8
159.11664	26.6
161.09557	34.6
161.13232	25.1
163.11209	21.3
167.07094	8.7
167.10667	11.3
169.10155	19.8
171.11646	25.2
173.13277	25.5
175.11176	43.9
175.14795	23.2
177.12650	11.9
179.10648	16.2
181.10025	11.1
181.12384	11.5
183.11690	13.1
185.13200	20.8
187.11186	9.5
187.14804	8.9
189.12747	32.0
189.16438	6.8
191.14282	8.8
195.11697	13.8
195.13695	8.6
197.13316	19.3
199.14824	24.2
201.12726	16.5
201.16347	12.5
203.14310	13.6
209.13246	12.1
209.15329	11.8
211.14771	12.6
213.16418	15.2
215.14305	13.0
217.15907	22.2
229.15852	15.6
235.16936	32.2
241.15735	7.4
255.17334	11.2
293.22562	26.7
311.20453	11.8
311.23798	29.9
335.23511	36.6
353.24655	81.5
371.25766	100.0
371.33319	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	373.1488
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.61422	3.7
55.01863	9.6
55.05505	5.8
57.03437	4.5
57.07067	18.7
57.31450	3.5
61.02921	4.6
67.05499	6.3
69.03432	5.7
71.17229	4.1
71.17551	4.2
75.59817	3.5
79.05487	8.4
80.33611	3.1
81.03422	4.9
81.07050	12.5
83.04969	4.3
85.02893	29.4
85.06538	12.2
91.05482	9.8
93.07049	11.0
95.04960	5.7
95.08604	7.5
97.02896	6.8
103.03934	5.8
105.07028	10.7
107.08595	8.3
109.02871	10.8
109.06487	6.8
109.10136	5.3
118.35419	3.9
119.04910	5.4
119.08604	7.5
121.02794	4.9
121.10110	5.0
122.03607	4.6
123.04437	11.9
129.07016	5.7
133.10088	7.7
135.08006	3.9
135.11700	6.3
137.05972	41.6
139.03920	10.2
145.06512	7.2
145.10118	6.0
147.04378	33.6
149.05917	3.8
149.09673	3.9
150.99150	3.5
151.03926	26.3
155.03412	5.9
161.05945	15.9
161.09624	5.6
163.03906	14.0
163.07547	13.4
165.05460	9.7
165.09143	5.0
167.03369	7.1
175.03909	16.2
175.07498	6.8
177.05469	7.9
179.03400	11.0
187.03894	4.9
187.07362	4.6
189.05421	11.2
189.09109	14.2
191.03360	3.7
193.04927	12.8
205.04910	4.8
205.08600	26.8
207.06529	4.1
211.09654	18.4
217.05000	6.0
217.08559	22.9
219.06546	4.8
223.09628	56.1
229.08676	6.7
231.10138	9.5
235.09625	82.1
247.09680	8.2
249.11165	13.3
252.87938	3.9
253.10707	73.9
259.09534	10.1
271.09668	29.3
277.10687	100.0
283.09644	9.3
289.10684	63.6
301.10690	41.8
303.08640	8.2
307.11826	10.2
313.12036	4.2
319.11713	24.7
337.12717	24.0
373.13638	15.7
377.18842	3.8
390.84387	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	373.149
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
54.28152	3.1
55.01861	3.0
55.05497	3.5
57.07055	9.1
61.02920	4.1
65.03928	2.6
67.05498	3.5
68.99785	2.5
69.03407	7.7
69.62305	21.1
76.80797	3.0
79.05475	5.4
81.03394	4.4
81.07038	4.6
85.02902	27.6
85.06538	6.9
91.05466	4.0
93.02523	2.5
93.07041	3.7
95.04988	4.5
95.08617	5.6
97.02872	7.6
97.10172	3.3
103.03970	4.1
105.07030	4.6
107.04932	5.3
109.02849	5.2
109.06518	5.7
109.10134	4.4
119.04946	4.0
121.06477	4.6
123.04424	11.2
127.03897	6.8
133.10086	3.9
137.05969	18.4
139.03859	10.9
145.06441	4.1
147.04393	20.5
147.08006	3.9
151.03873	21.4
151.07478	3.8
155.03392	38.2
159.04489	2.8
161.05983	10.6
161.09596	4.0
161.14716	2.9
163.03865	7.1
163.07520	9.7
165.05467	8.5
165.09052	2.9
173.05986	2.8
175.03905	8.0
175.07527	5.4
179.03372	6.7
187.07483	3.9
189.05469	6.7
189.09109	8.7
193.04927	8.5
193.08557	4.2
205.08542	15.4
207.09927	3.4
211.09627	100.0
217.04948	4.7
217.08578	7.4
223.09636	32.4
231.10138	4.2
235.09602	34.2
247.09688	4.9
249.11197	3.7
253.10695	33.4
271.09637	11.3
277.10608	46.8
283.09552	6.2
289.10629	30.0
301.10559	18.2
319.11670	8.5
337.12775	8.5
355.13934	4.3
373.14285	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.00338	7.0
53.03923	9.4
55.01859	15.5
55.05501	10.1
58.21587	6.5
67.05478	30.6
68.59610	6.7
69.03419	23.1
69.07048	22.1
71.04958	16.0
71.30172	11.0
71.30500	10.0
72.02515	6.6
79.05469	23.6
79.31625	8.1
81.03407	12.1
81.07035	55.5
81.81461	7.6
83.04963	11.3
83.08603	8.5
85.02880	25.4
85.06526	15.6
91.05447	52.2
93.07027	47.0
95.04954	17.6
95.08597	60.4
97.02872	11.5
97.06508	16.1
99.04416	17.8
99.08046	15.8
103.05453	11.3
105.07008	27.2
107.04922	26.2
107.08590	40.2
108.04496	7.8
109.06496	11.4
109.10151	44.4
111.04424	10.3
115.05376	8.9
119.08537	33.8
121.06477	8.8
121.10101	21.9
121.45135	7.8
123.04376	14.5
123.08009	14.3
123.11691	13.5
131.04901	17.0
131.08522	13.6
131.88347	6.5
133.06528	8.6
133.10120	26.1
135.08134	8.7
135.11662	39.0
137.05949	63.0
137.09601	18.2
138.06250	8.8
139.03862	14.7
139.36389	6.8
145.10083	14.0
147.04358	12.1
147.11636	15.8
149.05978	7.9
149.09618	8.6
151.03899	14.5
151.07509	13.7
153.05464	10.0
157.10124	8.8
159.11708	8.0
161.05960	8.9
161.13248	12.0
163.07510	22.9
163.90504	7.4
165.09087	10.4
165.58513	6.9
167.07022	21.1
170.42892	7.4
174.06654	7.6
175.07523	30.7
175.14754	12.5
177.05415	8.8
181.04990	11.3
191.07039	11.2
193.00415	6.7
193.04912	8.9
193.15872	24.7
211.08635	8.7
211.16890	32.2
222.06764	8.8
222.09123	8.3
235.07439	12.0
237.38750	8.2
239.11899	8.4
250.06140	7.1
261.22153	7.5
263.07001	10.9
265.08771	9.8
267.11270	16.7
293.07877	9.4
295.10294	7.2
309.11023	11.6
310.67026	8.3
313.11877	48.9
314.11996	9.1
323.12402	8.4
327.12024	13.3
329.13937	11.8
337.10507	11.1
341.13824	25.3
355.15018	10.6
373.13760	100.0
373.18140	40.2
374.13605	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	373.2217
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05497	9.4
65.03912	5.0
67.05492	13.3
69.03420	6.1
69.07066	10.8
70.69069	14.1
72.71903	4.4
73.37033	4.2
73.40414	4.5
80.48579	4.1
81.07052	16.3
83.04991	5.4
83.08616	7.0
85.02904	5.2
86.30347	4.3
91.05430	5.8
93.07039	16.0
95.08605	37.5
105.07024	7.1
107.08611	21.0
109.06499	8.7
109.10146	92.5
111.08036	5.4
119.08604	36.2
121.10184	12.5
123.08060	13.1
123.11749	11.7
133.10136	24.8
135.11685	100.0
137.09622	13.5
149.13217	6.3
150.11584	5.6
151.11243	6.9
151.14838	6.6
165.16310	6.5
175.14836	40.9
193.15874	57.2
211.16928	61.1
345.46957	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.5
57.07064	3.0
57.29637	3.1
57.50266	2.4
65.57278	2.5
65.62010	2.4
67.05484	18.9
69.03404	8.7
69.07061	14.0
70.06588	3.0
70.79352	5.7
71.04967	4.1
79.05460	8.3
81.07035	31.3
83.04950	12.5
83.08589	6.4
85.02877	8.1
85.06525	5.8
91.05467	8.4
93.07022	14.8
95.04941	3.5
95.08577	37.0
97.02856	3.9
97.10149	10.8
99.08083	5.0
100.11239	3.9
105.07011	16.6
107.04910	6.3
107.08562	32.1
109.06504	10.1
109.10133	90.1
109.17873	2.6
111.08051	8.5
119.00122	2.5
119.04848	3.0
119.08559	41.2
121.06489	5.5
121.10135	16.3
123.08042	16.2
123.11688	8.4
131.04915	4.4
133.10120	21.4
135.11665	100.0
136.11977	2.9
137.05936	12.6
137.09561	10.3
139.01474	2.3
147.04465	3.5
149.13205	9.4
151.03868	3.8
151.11176	8.9
151.14766	8.9
153.12694	3.4
163.07477	4.7
167.06955	5.2
175.14792	36.6
181.04884	5.4
191.06903	2.8
193.04906	6.8
193.15849	51.7
194.16089	4.1
211.16911	37.0
239.11903	4.7
313.11618	6.6
341.13965	4.6
363.71332	3.9
364.71622	6.2
365.21661	3.4
373.13495	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	1.5
55.05510	3.6
55.86423	1.2
57.40156	1.7
61.02919	2.1
61.42912	1.4
67.05480	4.2
69.03414	5.2
69.07070	3.6
70.06577	2.7
71.04977	2.9
71.57208	1.7
79.05491	3.8
81.03403	1.8
81.07048	16.1
83.04967	2.2
83.08615	1.8
85.02905	14.1
86.09673	2.0
89.71559	1.3
91.05475	6.2
92.46383	1.4
93.07036	8.7
93.64584	1.5
95.04967	2.1
95.08596	19.0
96.12686	1.4
97.02862	3.3
97.10160	2.1
99.08060	1.7
105.07024	14.4
107.08569	12.9
107.20026	1.4
109.06517	1.9
109.09389	1.7
109.10157	5.9
110.30325	1.5
117.07041	1.9
119.08566	49.3
119.25047	1.5
120.04573	1.3
121.10133	3.1
123.11703	3.6
127.03885	2.5
131.08566	1.7
133.10115	67.1
135.11690	15.5
137.06018	4.0
137.09639	2.9
145.04886	1.6
145.10092	1.7
147.11664	4.8
149.02359	6.2
151.03882	1.6
155.03398	1.9
156.41878	1.5
163.07497	1.8
175.07469	2.1
175.14815	100.0
176.15129	2.1
177.05443	6.6
189.82858	1.6
193.15855	7.8
195.41801	1.6
211.16934	5.4
228.86372	1.5
239.11787	2.4
246.30396	1.5
247.05042	1.6
254.08762	1.5
267.11331	2.0
313.11761	6.5
373.13745	14.5
373.24826	1.8
374.14325	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01885	3.2
55.05500	14.2
56.96545	5.4
57.03431	3.4
57.07067	5.3
61.02882	3.3
65.03932	4.8
67.05499	31.7
69.03416	6.2
69.07051	11.3
69.47551	5.5
69.47968	21.6
71.04971	3.6
79.05487	44.8
81.03389	7.7
81.07050	60.6
83.04979	6.7
83.08611	9.9
85.02893	10.5
85.06529	9.7
85.54680	2.3
91.05464	41.4
93.07034	59.5
95.04975	13.2
95.08598	44.3
97.02858	4.8
97.06512	6.2
98.21452	5.4
100.11243	3.2
103.05482	3.6
105.07021	57.8
107.04942	9.4
107.08586	54.0
109.06525	18.6
109.10143	18.9
111.04424	8.5
111.08065	4.4
112.38305	3.1
117.06979	14.5
119.08572	51.4
121.06470	6.2
121.10133	35.7
123.04436	10.0
123.08080	5.5
123.11714	6.4
125.05038	3.5
125.05972	64.0
125.09621	5.3
127.03877	2.9
127.07559	3.5
127.45100	2.6
128.06206	4.4
129.06976	14.9
131.04901	3.8
131.08562	34.5
133.06447	3.2
133.10114	33.4
135.04410	4.3
135.08047	5.3
135.11678	18.0
137.05959	17.0
137.09679	3.5
139.03865	12.4
139.07480	2.9
141.06953	4.6
142.07765	4.7
143.08565	22.9
145.06508	5.1
145.10103	37.9
147.08057	6.2
147.11691	34.2
149.05948	5.2
149.09563	4.7
149.13246	9.1
151.03867	9.5
151.07530	7.5
153.05455	68.2
155.03397	19.6
155.07022	31.7
155.08524	12.7
157.06430	3.0
157.10097	20.9
159.08047	10.8
159.11671	39.9
160.07542	5.3
161.05936	4.9
161.09628	7.3
161.13257	22.5
163.07533	6.4
163.11168	3.5
165.06821	3.8
165.09052	6.6
167.07019	9.9
167.08467	4.8
169.10115	10.9
171.11703	10.7
173.13220	11.3
175.11075	4.0
175.14824	24.3
177.09052	4.8
179.08597	2.6
181.08585	3.0
181.10083	10.9
183.11670	13.9
185.13222	15.2
187.07523	5.3
187.11188	4.5
187.14789	8.2
189.09065	8.3
189.16298	14.0
191.10666	6.4
193.08598	10.8
193.10178	5.1
193.12149	4.8
195.11678	11.1
197.13232	8.5
199.11229	4.4
199.14830	18.2
201.12706	3.3
201.16341	37.4
201.17960	3.4
203.10669	4.5
203.17964	5.7
204.07845	9.9
205.08435	3.1
207.10025	3.3
209.13258	10.2
211.09608	56.0
211.11365	3.9
211.14792	7.6
213.16394	4.7
215.14357	3.3
215.17940	13.8
217.12286	10.5
219.10153	20.7
221.13268	8.0
223.11165	3.1
223.14909	5.4
225.16353	4.0
227.10585	4.0
227.17986	4.0
229.12215	9.6
231.13789	3.8
235.14868	7.9
237.12790	3.6
241.07309	3.9
241.12129	2.8
243.13847	7.4
249.16243	5.2
251.18079	4.5
253.19585	6.7
255.13762	8.6
259.08572	5.6
263.14328	3.7
267.09006	8.3
273.14871	6.0
277.19418	12.4
281.15277	4.5
285.10049	14.1
291.20914	18.6
309.18741	3.3
309.22067	11.5
319.20480	17.0
327.23041	4.4
337.21613	83.6
338.21912	3.5
355.22626	100.0
356.22934	3.4
373.13556	7.5
373.23764	52.0
374.24161	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	373.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.7
55.05504	26.8
56.96548	16.6
57.03420	4.1
57.07060	7.3
59.05008	4.4
61.02899	10.5
61.47533	3.5
63.08842	3.6
67.05495	40.2
69.03407	14.6
69.07060	42.6
70.04626	3.6
71.04983	7.8
73.02892	5.0
79.05478	25.2
81.03400	10.9
81.07048	100.0
83.04950	9.8
83.08604	20.5
85.02880	13.8
85.06528	17.5
85.42234	3.0
89.40873	3.5
91.03959	3.9
91.05437	22.1
93.07030	51.1
93.34415	3.4
95.04945	9.2
95.08601	59.9
97.02856	11.1
97.06500	10.7
97.10123	11.8
99.04422	9.7
99.08060	5.8
102.40712	3.8
103.05534	3.9
105.07018	28.5
107.04943	6.1
107.08574	43.5
109.06493	13.1
109.10147	34.6
111.04421	22.0
111.08067	7.0
117.06953	6.3
119.08559	22.1
121.06486	6.2
121.10142	33.0
123.08026	7.1
123.11702	25.3
125.05997	3.9
125.09626	5.8
127.07537	8.9
131.08528	12.8
133.10133	24.6
135.08032	4.6
135.11694	25.5
135.43961	3.6
137.05977	8.0
137.13214	10.5
145.10115	14.8
147.11670	30.8
149.09576	10.3
149.13206	18.3
151.03856	10.7
151.07530	4.9
151.11172	23.3
153.12694	6.2
154.81207	3.9
157.10103	7.6
159.11642	11.8
161.13226	7.0
163.11143	3.4
163.14874	4.4
165.09077	4.7
165.12749	12.8
165.87029	3.3
167.06908	5.1
171.11697	5.2
173.13235	7.0
177.12753	8.2
177.16373	5.7
179.10622	5.9
181.04916	17.2
181.12186	7.0
185.04810	4.8
193.12224	21.1
195.13744	6.8
207.13786	9.0
209.15408	3.8
229.14220	6.3
233.18398	4.5
243.08794	8.8
267.08905	30.3
267.16028	4.4
268.09241	5.0
283.23984	4.3
285.10046	58.8
285.16959	8.0
286.10419	4.4
299.11609	4.6
308.11749	7.8
319.26208	43.9
337.27243	24.0
337.53531	4.7
373.13422	5.8
373.18799	5.6
373.23648	84.4
374.24258	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.2
55.01863	1.2
55.69019	1.0
61.02925	1.7
65.02236	1.0
66.25323	1.0
69.03417	4.4
69.34062	1.0
71.03156	2.8
85.02895	16.1
87.15124	0.9
89.03899	7.0
91.03966	1.3
92.20086	1.1
97.02875	4.4
108.96143	1.0
109.02853	1.7
111.14749	0.9
117.03377	16.5
127.03934	3.2
134.03720	1.6
135.04417	2.7
140.26366	1.1
145.02834	44.0
145.04936	3.7
146.03175	1.4
149.05989	7.6
163.03920	8.5
177.05464	100.0
178.05797	2.4
180.08492	1.5
195.06522	46.8
203.03578	1.1
259.87936	1.2
302.94794	1.1
394.86194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15414	1.0
55.01867	7.8
57.03434	1.6
71.54375	1.5
73.02911	28.6
81.07041	1.2
85.02883	1.9
91.05495	4.3
93.07036	2.1
94.04194	1.8
95.04978	1.8
97.02931	1.2
103.05489	1.5
105.07056	1.1
107.04959	1.6
109.06524	1.5
111.04465	1.8
117.06921	1.0
119.04939	3.3
121.06470	5.1
122.03663	4.3
124.07581	1.0
125.05986	1.3
129.06972	1.3
131.04845	1.3
133.06491	2.0
134.03653	2.6
135.04463	1.4
137.05960	100.0
138.06354	3.9
146.03624	2.2
147.04413	5.5
147.97809	1.0
149.05956	25.1
149.07071	1.9
151.03957	2.1
151.07582	4.3
152.06119	1.2
153.07025	3.4
161.05978	23.3
161.07227	1.7
162.06705	1.2
163.03935	2.1
165.05739	1.5
165.06911	5.2
168.05672	1.2
172.08733	8.8
177.05447	2.2
179.07028	7.2
180.05702	1.6
181.06398	7.7
182.07245	1.5
184.08649	2.4
191.07106	1.7
193.06511	2.2
193.74672	1.1
194.07422	1.6
195.08101	2.8
196.05289	1.9
197.05981	2.8
198.06746	2.1
200.08243	1.5
203.07021	1.6
208.05244	2.3
209.06001	2.6
209.09715	1.2
210.06825	3.1
211.07501	7.3
213.05571	1.3
213.09048	5.5
216.07753	4.4
221.06038	3.0
221.08192	3.3
222.06761	2.0
223.07495	2.5
225.05470	2.0
225.09027	5.3
228.07751	2.0
236.04788	2.0
238.06348	1.6
239.07106	4.6
240.07791	5.0
241.08549	6.6
243.08762	20.4
245.08124	1.4
251.06979	2.3
253.08582	17.1
254.09267	1.4
255.06500	1.4
255.10129	1.2
258.09058	2.7
259.09628	2.5
268.07455	2.5
270.08984	2.9
273.11194	24.6
275.11362	1.2
279.06732	2.8
283.09802	2.0
285.08032	2.4
285.11163	17.6
297.11105	1.3
299.09140	11.9
309.11172	1.2
311.06046	1.2
311.09174	6.7
311.12427	1.4
315.08594	5.2
325.10913	1.8
327.12320	1.3
329.10190	11.6
345.13504	1.7
357.12308	12.4
375.14081	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1433
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
53.03927	3.5
54.20783	1.3
55.01865	8.5
55.05503	5.4
55.06414	1.4
57.03419	2.0
62.51955	1.4
64.18094	1.3
67.05481	6.9
69.03402	6.1
69.07054	5.0
69.61491	2.6
69.61890	10.7
71.04981	2.0
73.02905	51.6
73.09918	1.4
78.04687	1.8
79.05481	7.0
81.03410	2.0
81.07052	14.9
83.08607	3.0
85.02885	6.9
85.06540	6.2
91.03936	2.1
91.05475	9.0
93.07035	11.9
94.04189	2.9
95.04957	5.0
95.08582	17.8
97.02850	1.8
97.10124	5.1
99.08071	1.8
100.11234	2.9
102.23405	1.4
103.05419	8.0
105.07047	9.5
105.74978	1.6
107.04930	4.9
107.08575	5.9
109.06487	3.8
109.10127	4.6
115.05439	3.8
117.07026	1.6
119.04933	2.6
119.08546	3.6
121.06479	6.9
121.10116	6.9
122.03661	8.2
123.04382	4.5
123.08098	2.1
123.11662	4.5
127.03878	2.0
131.04903	9.6
133.06451	5.5
133.10117	2.5
135.04382	1.6
135.08015	3.5
135.11681	3.0
137.05954	100.0
138.06264	1.8
141.07033	1.6
145.10191	2.2
146.03601	3.6
147.04391	3.9
147.11621	2.7
149.05951	10.4
149.13203	1.8
151.03850	3.6
151.07506	8.2
152.06215	3.6
153.05441	2.9
153.06950	2.5
159.08014	2.0
159.11719	2.1
161.05965	39.6
161.09543	1.8
163.07526	18.7
165.06970	7.1
165.09142	2.2
167.07025	24.2
169.06395	2.2
175.07538	5.9
177.05511	2.2
177.09019	8.3
177.16299	4.8
179.10669	2.1
180.05649	4.4
181.06450	6.6
182.07179	3.0
187.07503	2.0
189.05376	2.2
191.05148	2.4
191.06970	5.8
193.06546	2.6
193.08607	5.6
194.07335	3.8
195.08029	3.9
195.17369	2.1
197.06004	5.1
203.07079	1.7
207.08089	2.8
208.05278	7.7
209.06094	2.9
209.07986	3.4
210.06766	10.1
211.07526	5.9
211.12248	1.9
212.08185	1.8
213.09143	6.0
213.18416	3.8
219.04478	1.9
221.06053	8.8
222.06665	6.7
223.07507	7.3
224.08347	2.7
225.05453	6.0
225.08987	10.7
233.07999	3.3
234.06619	1.8
235.07515	2.3
236.04669	4.4
237.05371	2.6
238.06149	4.5
239.06961	2.3
240.07788	8.3
241.08644	8.1
245.29663	1.5
249.09123	2.0
251.06990	6.3
253.04791	3.8
253.08563	53.2
254.09100	3.9
255.10104	2.9
258.08890	8.2
265.08429	2.7
267.10159	3.3
268.07355	4.7
269.08093	4.9
270.08820	23.0
273.11179	22.7
279.06393	4.4
283.09622	3.5
285.11172	31.0
295.09515	5.0
297.11200	4.6
299.09091	13.7
303.23236	2.1
311.09125	27.7
315.05057	2.5
315.08444	13.9
325.10675	16.5
327.12085	3.7
339.12305	7.5
345.13342	15.3
357.13260	38.9
358.13495	2.3
375.10275	1.6
375.14395	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1799
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03924	1.2
55.01854	0.9
56.23713	0.4
58.26728	0.4
66.04701	1.0
69.03433	0.6
70.53464	1.6
77.03908	0.8
78.04706	1.7
79.05479	3.9
81.07049	1.2
91.05479	4.4
93.07029	1.0
94.04156	3.5
95.04955	1.7
95.08598	0.5
100.59608	0.4
103.05448	10.1
104.73639	0.4
105.03359	0.4
105.07018	5.1
106.04172	1.3
107.04943	4.9
107.08585	0.5
109.06520	1.2
115.05455	2.1
117.07030	1.1
119.04918	1.3
121.06486	1.7
122.03632	9.9
123.04424	3.5
123.08028	1.1
124.05190	2.0
128.06224	0.9
129.06967	1.0
131.04909	14.2
133.06477	4.6
135.04390	0.6
135.08031	5.2
137.05957	100.0
138.06294	2.7
141.06941	1.0
143.04919	1.3
143.08545	1.0
144.05643	0.7
145.06462	1.7
145.10132	0.5
147.04359	1.1
147.08005	1.9
148.03932	1.0
149.05960	1.5
151.03874	1.2
151.07526	7.7
152.04669	1.1
153.05394	1.0
157.06458	1.2
159.08113	0.7
160.05138	0.8
161.05983	2.7
163.07524	36.2
164.07869	1.2
165.09090	1.0
167.07016	44.2
168.07381	1.3
171.08066	0.7
173.06004	0.5
174.06770	1.1
175.07520	5.1
177.09065	1.1
179.07005	1.2
181.04939	0.9
181.08484	0.7
186.10396	0.8
187.07483	2.3
189.09087	2.0
191.93042	0.4
193.08585	3.9
201.09058	1.0
201.12685	1.0
203.10678	1.4
205.10181	0.8
207.10068	0.9
218.07169	0.7
219.10057	2.1
229.12157	2.4
233.09561	1.3
233.11861	1.1
261.09109	0.7
265.12213	1.2
293.11588	2.7
301.11490	0.6
325.14200	3.6
357.13223	0.6
357.16763	2.1
358.16412	0.6
365.58359	0.5
375.18961	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	375.2373
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03927	5.4
54.18803	1.6
55.01850	6.8
55.05291	2.3
55.05505	26.1
57.03431	10.0
57.07060	5.1
59.04975	4.5
61.02926	12.7
67.05498	11.3
69.03062	2.5
69.03423	34.8
69.06708	3.4
69.07062	46.6
69.34467	15.3
69.34872	3.9
71.04986	10.1
73.02888	5.5
73.06543	2.1
79.05470	7.3
81.03422	14.1
81.07046	38.5
83.02226	1.8
83.04959	10.8
83.08606	12.3
85.02895	88.9
85.03415	4.4
85.06527	25.4
87.04446	6.2
90.50603	2.0
91.03931	4.7
91.05450	5.6
93.07026	17.0
95.04978	2.3
95.08601	51.7
97.02887	29.1
97.06503	6.0
97.10165	12.7
98.21538	3.7
99.04436	6.5
99.08080	27.6
105.07013	4.1
107.04948	2.2
107.08574	30.3
109.02885	11.8
109.03568	1.8
109.10136	19.7
111.08054	4.4
111.11703	9.3
113.09618	8.2
117.07024	2.6
119.08533	4.1
121.10130	41.9
123.11680	10.0
125.09604	7.0
127.03901	23.5
135.11690	19.6
137.05952	7.7
137.13237	20.3
139.11172	10.6
145.04930	15.5
147.04361	2.2
149.13246	4.4
151.03873	3.1
151.14832	5.2
153.12718	12.7
159.11707	1.9
161.05920	2.3
175.07533	2.6
177.16362	100.0
178.16689	2.9
195.17424	43.7
213.18483	46.4
214.18642	2.7
225.08882	1.9
239.06873	1.9
239.10616	2.2
303.23184	3.1
321.24271	2.6
375.23654	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	375.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68777	0.8
53.03926	1.3
55.01856	0.7
55.05503	11.2
57.03418	2.2
57.07079	4.5
67.01846	1.3
67.05498	21.3
69.07064	11.2
70.06580	2.1
71.04975	1.4
71.06907	0.9
71.08621	1.9
71.54163	1.2
79.05482	9.3
81.07048	74.6
82.07379	1.2
83.04970	3.0
83.08611	5.7
85.06528	2.3
85.10164	1.4
86.09653	0.7
88.07631	4.2
89.07960	1.1
91.05470	6.0
93.07038	14.8
95.04961	1.1
95.08597	38.2
96.08891	0.8
97.06516	1.5
97.10139	2.8
102.09151	2.3
105.07037	5.2
107.08589	8.1
109.06521	6.2
109.10147	26.2
111.04403	0.8
111.08072	1.1
111.11711	1.6
113.06013	0.7
115.05421	1.1
117.06999	1.3
119.04949	0.8
119.08566	6.2
121.06480	3.2
121.10117	5.2
123.08076	5.1
123.11687	16.2
125.06009	1.1
125.09693	0.8
129.06969	0.8
131.08583	1.6
131.35353	0.6
132.05638	0.9
133.06503	1.9
133.10091	3.1
135.08084	4.9
135.11687	4.6
137.05962	19.7
137.09592	1.0
137.13226	4.9
139.03882	1.7
139.07481	4.0
141.05487	4.5
141.06924	0.7
143.08493	0.9
145.06371	0.8
145.10031	1.5
146.07240	1.1
147.08044	3.0
147.11694	1.8
149.05952	7.4
149.09579	2.0
149.13272	3.2
151.07526	46.3
152.07864	1.6
155.08557	0.8
157.10138	1.5
159.08038	2.3
159.11676	2.6
161.05997	4.5
161.09619	2.7
161.13217	1.0
163.07524	1.3
165.05463	14.2
165.09102	10.9
165.12686	0.8
167.07025	100.0
168.07361	3.2
169.10114	0.7
171.08095	1.2
171.11661	0.7
173.09593	2.3
174.06767	0.8
175.07562	4.6
175.11118	1.4
177.09052	4.7
177.16359	2.8
178.06201	1.0
179.07028	4.5
179.10593	3.3
181.08534	4.0
185.09634	1.9
187.07550	1.1
187.11176	1.0
188.08270	1.8
189.09079	12.0
191.06982	5.1
191.10641	3.6
191.17943	2.8
192.07776	2.6
193.08588	6.1
199.11179	1.7
201.09024	1.6
203.10660	6.6
203.17918	1.4
204.10968	0.9
205.08647	7.6
205.12253	2.6
206.09262	1.1
207.10141	13.1
213.12671	1.0
215.10699	2.3
217.12190	3.3
219.10193	3.2
219.13792	0.8
221.11588	3.6
229.12239	2.4
233.11678	3.9
235.13161	1.2
247.13322	3.6
257.15244	1.1
261.14810	2.0
275.16318	1.0
313.32956	7.3
329.24619	2.7
339.23065	1.5
347.25986	1.6
357.24191	8.4
375.18170	0.9
375.25296	18.2
375.36563	23.2
376.25497	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	375.2737
Annotation	oscr#24
Peak:m/z	Relative Intensity
54.00443	18.6
55.05499	35.1
56.96556	21.7
65.30409	19.5
67.05491	48.9
69.07050	51.9
71.57402	18.2
71.57796	23.5
79.05491	45.0
81.07049	100.0
83.04990	28.1
83.08626	29.3
85.06537	27.6
86.09698	21.3
91.05453	39.7
93.07039	71.7
95.04978	42.2
95.08596	61.1
104.16059	20.4
105.07024	60.0
107.04949	29.5
107.08569	40.1
109.10125	55.1
111.04425	29.3
119.08576	43.1
121.06517	25.3
121.10110	56.2
123.04380	21.8
123.11652	37.7
131.08551	44.4
133.10141	32.6
135.11703	23.7
137.05962	31.0
145.10109	29.2
167.07030	55.4
203.84221	19.4
218.18831	20.7
265.64471	22.7
272.62656	20.4
285.10016	48.7
286.10278	23.9
375.10641	45.8
375.14667	24.8
375.25360	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.05502	36.7
57.03408	8.5
59.02497	5.5
67.05495	42.1
69.03423	36.2
69.07064	33.8
71.04995	14.4
71.53139	9.0
79.05488	34.4
81.03394	22.6
81.07046	97.1
82.72851	6.2
83.04951	10.8
83.08620	11.5
85.02876	18.1
91.05460	28.4
93.07027	72.5
95.04947	28.8
95.08604	75.7
97.02891	9.9
97.06499	12.1
97.10152	18.3
99.04438	8.0
99.08072	8.6
103.05440	7.8
105.07015	52.7
107.08598	57.9
109.02892	12.9
109.06511	14.3
109.10143	51.4
111.08072	14.5
115.05424	8.3
119.08576	46.1
121.10153	43.1
122.03642	13.7
123.04433	6.4
123.08063	9.8
123.11702	32.0
125.09595	7.0
127.03917	23.8
131.04904	17.9
131.08569	15.6
133.10139	35.0
135.08006	12.9
135.11664	32.4
137.05968	100.0
139.11118	12.4
143.08606	8.5
145.10114	8.2
147.04370	8.4
147.11667	26.3
149.13197	8.9
151.07504	11.4
151.11150	15.0
153.05319	6.9
153.12682	10.8
158.10823	6.7
159.11688	29.8
161.09587	6.4
161.13206	10.4
163.07509	38.0
163.14697	8.7
167.07045	51.0
175.07538	6.6
177.12740	7.7
190.78062	7.2
191.14261	9.2
209.15337	21.7
229.15913	7.1
234.98973	8.7
303.23212	42.3
321.24307	9.3
325.14160	9.5
360.98364	7.5
375.10852	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	375.2738
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.05493	43.7
55.73379	9.5
62.23393	11.0
62.35944	9.9
66.41916	10.5
67.05486	40.8
69.07044	49.2
70.17110	41.0
70.17529	19.5
79.05462	36.0
81.07047	100.0
83.04959	21.3
83.08595	16.8
85.02898	10.9
85.06528	11.6
91.05445	19.6
93.07042	76.5
95.04964	18.5
95.08597	85.0
97.10162	19.6
105.07028	74.2
107.08588	77.8
109.06513	17.2
109.10120	50.0
111.08097	16.4
119.08559	62.0
121.10120	44.3
123.06221	10.1
123.11684	40.4
125.09611	11.6
131.08571	14.0
133.10115	41.6
135.11687	36.2
137.05936	43.3
139.11214	17.4
145.10104	21.7
147.04381	11.5
147.11659	36.2
149.13309	20.2
157.10158	14.6
159.11688	18.9
161.13277	16.1
163.07535	13.4
163.11230	14.3
163.14764	14.6
167.07039	28.7
175.14862	13.8
197.13417	11.8
209.15327	24.0
263.89960	10.3
285.22095	11.3
291.23019	11.8
292.49649	10.9
303.23154	48.1
375.10681	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	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47400	0.5
55.01851	0.9
55.68674	0.6
57.03411	1.7
57.53308	0.6
61.02920	2.9
69.03419	4.9
69.66871	3.8
70.06599	0.5
73.02885	0.8
81.03417	2.6
81.07033	0.5
84.04513	0.5
85.02895	21.0
85.47190	0.5
86.03550	0.6
86.09676	0.6
91.03941	1.6
91.05457	0.9
97.02886	6.5
97.76186	0.5
99.04424	0.8
104.75697	0.6
109.02869	1.7
119.04939	1.2
120.60241	0.6
122.03662	0.9
127.03906	4.4
137.05957	100.0
138.06279	1.4
145.04929	5.8
147.04375	0.7
151.07542	1.6
162.07614	0.6
163.03899	1.1
163.06078	0.6
177.05577	0.6
179.07018	36.0
180.07298	0.7
180.08667	2.0
191.07109	0.6
197.08102	5.3
202.04967	0.6
203.07036	0.6
214.10811	1.1
235.04816	0.6
263.09103	0.6
270.56876	0.5
377.08667	2.6
377.12958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32203	1.0
71.32540	0.6
75.01181	0.5
82.12200	0.6
89.03900	0.7
91.05463	0.8
107.04941	0.6
117.03352	1.5
119.04899	0.7
135.04393	1.8
137.05975	2.7
145.02827	1.9
147.04428	0.8
151.07529	1.2
163.03897	7.7
177.05449	0.6
178.05769	0.7
179.03162	2.0
185.02086	3.5
186.05492	1.0
197.04222	2.6
203.03206	1.9
203.05132	0.7
211.30392	0.5
215.05234	10.1
221.02930	1.0
331.07828	2.6
359.07355	12.7
377.08408	100.0
378.08716	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03923	2.0
55.01857	0.8
57.03191	0.6
57.03434	7.7
59.04979	0.7
59.28127	0.5
61.02913	3.3
67.16320	0.5
69.03081	1.0
69.03425	13.6
70.06578	2.6
70.83807	1.5
71.01344	2.1
71.04983	4.2
73.02890	1.8
75.04472	3.0
81.03420	4.4
81.07038	0.7
87.04449	1.0
88.68522	0.4
89.04655	0.5
91.05463	0.9
99.04443	5.2
107.08504	0.7
117.05453	1.1
118.06513	0.5
120.08089	0.8
127.08684	1.9
130.06616	0.6
137.05943	1.7
145.07610	2.2
148.07587	0.6
155.08107	1.3
157.06349	1.0
159.09096	0.6
163.03816	0.9
170.07129	1.4
172.08678	32.0
173.09041	0.8
176.07018	0.8
190.09764	2.1
198.06639	6.0
200.08168	4.3
214.09782	0.9
216.07672	18.1
217.07845	0.8
218.09303	1.3
238.03896	0.5
243.08755	69.4
244.06905	1.4
244.09152	1.6
316.12872	0.6
359.13507	2.7
377.14514	100.0
378.15070	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	377.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11520	1.0
65.03921	1.1
69.03400	1.2
69.55866	8.0
79.05504	1.1
85.02914	1.3
90.66976	0.8
91.05469	19.4
94.04173	1.5
95.04989	1.0
103.05495	1.5
108.03117	0.9
110.42459	0.9
118.49479	0.9
119.04927	26.0
122.03627	5.7
131.04927	6.8
136.05188	2.5
136.97791	0.9
137.05954	100.0
138.06279	4.0
143.81224	0.9
147.04396	2.5
151.07524	33.5
163.03856	1.9
163.07498	1.7
171.88074	1.2
179.06979	1.7
181.08562	33.3
208.79642	0.9
215.05264	1.7
227.70155	1.0
252.52832	1.0
255.38924	1.0
331.04227	1.5
336.77029	1.0
352.76431	1.0
359.07004	1.6
377.08411	13.1
377.17862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1591
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.00303	1.5
53.03934	3.4
55.01866	5.0
57.03459	1.0
62.95063	1.3
65.03938	4.3
67.05496	3.1
69.03426	1.0
70.06528	1.2
70.99886	2.5
71.00221	2.4
71.01350	8.4
77.03909	1.7
79.05489	14.3
81.14717	1.1
85.02890	1.2
91.05463	13.3
93.03394	1.2
93.07031	3.0
95.04959	8.7
103.05462	28.8
105.04527	2.5
105.07021	9.8
107.04948	71.9
108.02101	2.3
108.84484	1.1
109.06477	1.4
111.04422	2.5
115.05447	8.7
117.07021	2.1
118.04219	2.1
119.04937	3.5
119.08573	1.7
119.18964	1.1
119.84231	1.2
120.05700	2.7
120.83833	1.3
121.06505	9.4
123.04436	4.8
124.05209	1.5
125.05974	6.5
129.64833	1.2
131.04938	7.7
133.02870	5.1
133.06453	3.7
133.10211	1.4
134.10922	1.1
135.04410	12.0
135.08032	14.3
135.24495	1.1
137.05962	26.1
138.06757	4.8
138.27332	1.1
141.05469	2.2
145.06480	1.3
145.07570	2.3
146.03653	2.3
147.04417	6.0
147.08017	3.8
148.05122	1.3
149.05977	15.5
150.06760	4.2
151.03899	100.0
151.04982	6.2
151.07487	3.4
153.05460	10.2
157.06554	1.3
161.05954	14.6
161.09595	5.0
163.03908	6.6
163.07527	89.9
164.08165	1.3
165.05449	4.9
167.07031	5.8
175.07542	5.8
177.05486	5.2
178.06245	23.6
179.06995	6.0
181.08575	46.9
181.10184	2.3
182.09335	6.8
189.05469	3.8
189.09097	10.9
191.07045	2.2
195.06493	11.2
196.07275	15.0
207.10216	8.7
217.08455	1.8
231.13792	1.8
235.09535	2.2
243.73701	1.0
248.84276	1.1
283.09631	4.4
311.12933	1.9
327.12241	4.7
329.13840	4.5
341.13727	2.0
359.14984	2.0
377.16315	1.3
377.20480	2.2
383.14917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38896	1.0
52.71872	1.2
53.03937	3.8
55.01873	5.8
65.03929	3.6
67.05483	3.4
69.03414	1.3
69.85384	4.7
69.85802	2.3
71.01348	6.7
77.03960	1.3
79.05489	13.9
81.07037	1.2
85.02890	2.4
91.05469	12.0
93.03410	1.6
93.07034	2.9
95.04964	9.4
97.02903	1.2
97.11513	1.0
103.05459	25.0
105.04551	1.3
105.07026	8.5
107.04944	74.8
107.08562	2.1
108.02112	2.5
111.04429	4.7
115.05446	8.7
117.06981	2.9
118.04143	3.3
119.04917	4.4
120.05693	2.3
121.06483	12.5
122.03726	1.1
122.27013	1.1
123.04427	4.5
123.08048	1.1
124.05197	1.4
125.05988	6.4
131.04904	8.5
131.08536	1.1
132.05716	1.4
133.02841	6.7
133.06506	2.7
135.04398	13.1
135.08028	16.2
137.05963	30.2
138.06717	3.7
141.05444	3.1
146.03604	2.8
147.04410	7.2
148.05241	1.3
149.05965	16.2
150.06781	5.1
151.03893	100.0
151.04982	7.0
151.07500	3.0
152.04317	1.7
153.01849	1.4
153.05431	10.2
161.05966	17.0
161.09589	3.8
163.03909	7.1
163.07524	99.5
164.07974	2.1
165.05403	5.1
167.07034	7.1
175.07549	3.5
177.05458	6.3
178.06233	23.5
178.07620	1.9
179.06984	5.9
181.08578	51.9
182.09360	5.1
189.05463	3.7
189.09091	12.6
191.06906	2.4
195.06520	13.3
195.10072	1.1
196.07295	18.1
207.10150	9.6
217.08546	1.7
235.09621	2.1
247.01158	1.0
268.07413	1.2
270.08908	1.6
283.09729	2.5
283.13034	2.2
311.12714	2.3
327.12308	3.2
329.13947	5.4
330.14301	1.1
341.13809	1.9
359.15045	2.7
377.16101	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	377.1594
Annotation	GGBCE
Peak:m/z	Relative Intensity
53.03930	2.9
55.01849	4.5
55.05505	1.3
65.03922	2.8
65.36270	1.1
67.05475	4.0
69.03403	1.4
71.01337	7.6
71.57497	1.7
79.05481	17.1
81.07043	5.9
91.05460	12.5
93.03362	1.3
93.07040	5.3
95.04958	9.5
95.08584	3.3
103.05451	23.5
105.07021	10.8
106.04124	1.3
107.04941	72.0
107.08558	3.7
108.02119	1.8
109.02879	1.5
109.10195	1.7
111.04421	4.8
115.05450	7.5
117.07021	3.2
118.04152	1.9
119.04936	4.8
119.08598	2.9
120.05704	2.2
121.06511	10.7
121.10085	1.8
123.04429	5.4
123.11719	2.3
125.05986	5.5
131.04893	7.1
131.08531	2.1
133.02820	4.4
133.06444	4.1
133.10161	1.4
135.04393	13.0
135.08035	14.2
135.11679	1.6
137.05951	27.9
138.06726	4.9
141.05380	3.0
145.09972	1.2
146.03569	1.5
147.04399	6.4
149.05974	13.0
150.06694	5.2
151.03888	100.0
151.04984	7.2
151.07527	3.6
152.04239	2.0
153.05463	12.3
159.08012	1.5
161.05963	17.6
161.09581	5.4
163.03929	7.5
163.07520	98.9
164.08012	2.0
165.05446	6.5
165.09187	1.7
167.07054	9.3
174.06763	1.8
175.07521	2.7
177.05412	7.7
178.06224	23.8
179.07094	5.8
181.08569	47.5
182.09309	6.0
189.05431	2.4
189.09027	9.3
191.07062	2.1
195.06514	12.1
195.10080	1.3
196.07309	15.3
197.07634	1.4
207.10135	9.2
235.09665	2.0
238.27168	1.3
283.09811	1.8
283.12930	1.8
297.26965	1.2
309.11151	1.6
311.12714	2.0
327.12311	4.0
329.13751	5.7
359.14841	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	377.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01863	5.4
55.05504	7.5
57.07065	1.5
57.67424	1.3
65.03921	5.0
67.01849	4.6
67.05501	7.5
69.03427	12.9
69.07063	9.0
69.70885	10.4
71.01336	6.2
77.03929	1.7
79.05130	1.6
79.05489	20.7
81.07028	4.9
83.04961	11.4
83.06038	2.4
83.08601	1.5
84.04491	11.9
85.02887	5.2
91.05466	44.5
93.03391	2.5
93.07030	6.6
95.04961	14.5
95.08614	4.7
97.06519	3.3
98.20781	1.5
100.10294	1.5
101.07108	2.9
103.05459	21.9
105.04488	1.7
105.07011	19.1
106.04076	1.7
107.04942	71.8
107.08578	13.5
108.02056	2.4
109.02854	5.9
109.06493	5.7
109.10145	4.1
110.03735	1.5
111.04411	3.4
115.05444	9.7
116.06234	9.4
117.07005	9.0
118.04147	2.0
119.04969	7.2
119.08562	42.2
121.06508	16.7
121.10138	6.0
122.07276	1.6
122.10461	2.2
123.04417	5.1
123.08038	4.0
125.05966	6.7
128.06190	1.5
129.06543	9.6
130.04993	13.7
131.04904	9.9
131.08556	7.9
132.05696	2.8
133.02811	5.1
133.06468	6.1
133.10112	9.1
135.04413	12.8
135.08032	29.6
136.05194	1.7
137.05951	27.1
137.09634	7.9
137.13324	1.5
138.06712	5.3
141.05432	2.0
143.08542	3.6
145.04922	1.8
145.06506	1.6
145.07576	2.9
145.10094	3.5
146.03612	3.6
147.04440	7.5
147.08031	56.5
147.11670	1.9
149.05983	13.5
149.09616	5.9
150.06709	5.4
151.03886	100.0
151.04999	6.6
151.07509	4.4
152.04274	2.5
153.05458	11.8
156.09329	2.7
157.10170	3.0
161.05965	15.7
161.09590	13.6
161.13255	2.9
163.03897	6.1
163.07527	89.6
164.07867	3.3
164.10703	2.7
165.05466	5.1
165.06799	1.7
167.06982	9.2
170.10860	4.2
171.11659	6.0
173.09570	4.2
175.07523	84.6
175.14754	2.3
176.07849	2.1
177.05438	6.3
178.06219	22.0
179.07001	7.6
181.08560	49.7
182.09283	5.5
185.13246	6.7
187.11110	2.3
189.05409	4.5
189.09114	12.1
189.12737	7.4
191.07072	1.9
195.06544	9.8
196.07237	14.2
197.07962	1.6
199.09619	2.1
202.12241	1.6
203.14282	6.0
207.10149	7.0
208.51860	1.6
213.12723	11.4
231.13770	53.7
235.09636	1.9
248.16360	2.2
249.14888	2.5
265.15363	2.0
283.13263	2.8
296.16418	1.8
311.12854	1.9
314.18079	1.8
327.12241	6.8
329.13782	3.8
332.18509	9.2
342.16971	4.7
359.15082	3.0
360.18134	3.5
377.20624	42.1
378.20825	2.1
390.02597	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	377.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	25.6
56.56499	8.1
67.05495	29.3
69.03407	13.4
69.07050	33.6
69.27097	96.8
71.77658	8.6
75.79218	8.0
79.05469	20.8
81.07055	100.0
83.08589	9.2
92.43335	8.2
93.07018	35.2
95.08602	57.1
97.10130	24.5
105.07010	22.5
107.08582	37.7
109.10128	28.3
119.08595	21.3
121.06557	10.3
121.10134	20.7
123.11693	26.5
125.09592	17.3
133.10107	9.1
135.11668	23.4
137.05954	44.3
137.13231	32.7
143.10504	13.9
145.10083	14.0
149.13235	16.4
159.11678	10.0
163.07507	11.8
167.07045	11.7
215.16403	12.8
219.17467	12.1
237.18463	57.2
300.69064	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.7
59.75093	2.3
61.02926	3.4
69.03427	15.9
69.07070	2.8
70.06587	3.5
71.05001	2.6
71.56558	3.7
72.08147	5.4
79.05491	11.6
81.07069	4.0
85.02898	29.2
86.09696	9.9
91.05475	11.7
93.07056	7.8
95.04980	4.0
97.02896	11.1
97.06519	9.4
99.04411	3.4
105.07030	7.8
107.04946	3.4
107.08582	93.2
108.08856	2.5
109.06525	6.5
115.05494	3.7
117.06994	7.8
119.08578	2.9
127.03951	2.6
127.40993	2.7
135.08041	79.6
136.08345	4.0
137.05962	11.0
145.04942	5.8
153.09079	9.3
163.03888	2.9
163.07501	21.3
167.50917	2.4
170.27289	2.5
180.08745	2.7
181.08583	100.0
181.12143	3.9
182.08894	3.0
199.09651	38.6
201.95418	2.4
210.87460	2.5
216.12201	3.4
245.17340	2.2
270.75058	2.6
271.55453	2.7
347.04004	2.7
379.15631	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	378.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.4
64.56498	1.7
69.03413	7.0
69.07055	9.2
69.50833	10.2
69.51240	3.3
79.05495	6.4
81.03374	2.0
81.07048	18.7
81.11486	1.7
85.02889	8.1
85.06537	2.3
91.05467	4.1
93.07021	12.2
95.08591	2.5
97.06505	4.0
105.07024	6.8
107.08584	44.7
108.08921	2.8
109.06509	15.7
121.10139	12.6
123.08060	2.8
126.21587	1.7
135.11667	25.0
137.09492	2.2
139.11160	14.5
145.10138	11.7
153.12698	2.9
163.11169	39.1
181.12219	100.0
182.12625	2.4
199.13283	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42388	0.4
53.03925	0.6
55.05500	1.1
57.76494	0.4
58.82114	0.4
65.03916	0.7
67.05492	4.0
69.03406	1.9
69.68437	0.5
70.89696	1.0
70.90047	0.8
79.05463	1.2
83.04968	6.8
89.03907	5.6
93.03384	1.5
95.04958	12.4
107.04925	2.3
110.72487	0.5
111.04427	11.8
111.09173	0.6
117.03369	8.2
124.38435	0.5
129.05495	0.7
135.03362	1.1
135.04395	18.1
139.03880	8.3
145.02832	12.9
145.03987	0.9
152.72310	0.5
157.05002	0.8
163.03883	100.0
164.04219	2.3
181.04958	0.5
184.49187	0.5
199.06004	25.1
200.06316	0.7
201.04007	0.5
221.05608	1.2
319.08130	3.7
379.10199	7.4
380.10870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
53.03927	1.8
55.05499	13.7
57.03410	1.1
57.07058	2.8
65.03931	2.3
67.05495	24.7
69.03419	1.4
69.07053	10.4
69.81550	3.5
70.06581	0.9
70.69512	0.9
78.53188	0.8
79.03650	0.8
79.05052	1.3
79.05481	14.0
81.07048	32.0
83.04969	12.2
83.08607	4.1
88.07613	1.8
91.05470	20.9
92.05715	0.8
93.07033	33.2
95.04948	4.9
95.08593	51.5
97.02855	1.1
97.06525	3.5
97.10150	2.3
103.05479	1.8
105.03367	4.1
105.07022	35.1
106.03703	1.8
107.08586	27.4
109.06460	4.7
109.09447	1.6
109.10140	20.4
111.04443	7.4
111.08077	7.2
113.05971	3.7
115.05441	4.2
116.06222	2.5
117.06995	15.9
119.08567	31.3
121.06489	3.6
121.09308	1.8
121.10130	23.9
123.08047	9.1
123.11703	10.1
125.05976	1.5
125.09595	2.5
127.07558	2.2
128.06197	8.0
129.06993	18.4
130.07738	3.3
131.08548	48.0
132.09410	1.8
133.10107	21.1
135.08032	2.5
135.11685	9.1
137.09592	2.2
137.13211	2.0
139.07510	6.0
140.16621	0.9
141.06973	19.4
141.09048	5.6
142.07765	10.1
143.08542	31.9
144.09312	2.5
145.10106	54.5
146.10809	2.1
147.07999	2.5
147.11671	60.0
148.12036	0.9
149.05960	6.5
149.13240	16.0
150.06290	3.3
153.06926	5.1
154.07744	3.9
155.08533	43.5
156.09332	8.4
157.10114	30.9
158.10849	2.0
159.08076	1.0
159.10429	1.5
159.11671	20.6
161.09560	4.0
161.13229	18.1
163.11134	2.0
163.14819	1.6
165.07065	2.8
166.07761	1.9
167.08539	11.1
168.09341	11.1
169.10103	40.7
170.10880	4.8
171.11662	26.0
172.12396	2.0
173.09615	2.3
173.13229	11.3
175.11171	3.4
175.14807	2.0
178.07773	1.1
179.08586	3.3
179.10623	0.8
180.09305	3.5
181.10088	20.0
182.10936	9.9
183.11673	57.9
184.12364	3.7
184.79355	0.8
185.09605	3.9
185.13237	17.9
187.14853	4.7
189.12692	2.3
193.10153	4.4
193.11841	0.8
194.10901	2.8
195.11674	25.7
196.12428	9.0
197.13229	58.3
198.13792	2.7
199.11118	1.0
199.14789	16.1
201.12744	3.2
201.16379	2.2
205.10222	1.2
205.12183	1.8
206.10869	1.4
207.11691	5.8
207.13589	1.7
208.12431	3.5
209.13229	18.5
209.15028	0.6
210.13934	4.1
211.14786	28.6
211.16727	1.8
212.15184	1.3
213.12753	1.1
213.16391	3.9
219.13774	4.8
221.13290	5.8
221.15274	1.6
222.13878	1.3
223.11458	1.4
223.14775	19.4
224.15540	7.8
225.12834	1.6
225.16360	26.3
227.14268	5.1
227.17848	1.0
229.12254	1.7
231.13727	1.9
235.14850	3.4
236.15538	1.5
237.16347	18.3
238.17082	8.6
239.17906	67.6
240.18666	25.6
241.19485	9.5
243.13751	1.2
245.15364	5.8
249.16353	3.6
250.17186	1.3
251.17957	9.8
252.18633	1.8
253.15797	1.1
253.19464	2.5
256.26199	2.5
257.26706	3.9
263.14603	1.2
263.17844	3.9
265.16571	1.3
265.19479	19.6
266.20160	2.2
267.21021	7.4
269.22699	1.2
271.17114	1.5
277.19455	1.7
279.21030	11.2
280.21811	41.8
281.22464	4.7
283.16711	1.0
291.17377	1.4
291.20709	2.1
295.16949	2.3
297.18430	1.1
301.19559	1.2
305.19278	1.5
305.22598	3.9
309.18539	1.1
319.20663	4.1
323.20056	2.6
333.25766	5.7
337.21570	2.1
343.23987	1.2
361.25204	6.3
364.23914	1.5
369.35284	0.9
379.26254	100.0
379.30246	6.5
380.26651	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	380.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
59.17993	0.4
60.04494	0.5
61.89847	0.5
65.03928	0.8
66.70754	0.4
67.05470	1.3
69.03385	0.7
69.31956	0.4
69.53838	2.4
69.54261	1.5
79.05466	0.7
83.04966	3.0
85.02904	0.9
89.03897	1.0
91.05473	3.0
92.71805	0.5
93.03392	1.0
95.04945	2.0
96.04458	0.8
103.05452	1.2
103.39226	0.4
105.07000	2.6
108.17110	0.5
111.04423	3.3
115.05438	8.2
117.03378	0.6
117.06982	1.9
119.04939	4.0
123.04372	1.8
123.16934	0.5
131.04929	0.5
132.08038	0.6
133.06496	4.1
135.04385	1.6
136.07556	1.0
139.03813	1.1
143.04918	6.1
145.02792	1.4
145.06462	1.9
146.05905	2.3
147.04396	19.3
160.07587	3.2
161.02267	1.4
161.05969	10.8
162.09128	1.3
163.03902	7.7
163.06259	2.0
163.07527	0.9
164.04276	2.5
164.07036	4.0
171.04396	8.8
175.03804	0.6
178.05042	0.8
178.08574	1.3
179.03421	0.6
188.07050	20.2
189.05464	12.5
189.07199	0.8
191.05766	0.6
206.08107	100.0
207.02800	0.8
207.06473	5.3
207.08444	2.4
218.10080	0.7
334.12827	17.2
362.12387	1.5
380.13394	79.8
381.14075	3.3
396.96173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.4
58.16993	2.0
67.05493	13.8
69.03428	3.1
70.06554	3.2
70.19376	1.7
71.53999	3.0
74.49399	1.8
78.04248	2.0
79.05476	3.9
81.03392	2.0
81.07030	17.0
84.03206	1.9
84.08125	2.1
85.02901	7.4
86.09679	3.2
88.78970	1.8
91.05479	3.5
93.07003	3.5
95.04955	4.2
95.08585	10.4
97.06515	3.1
99.08098	1.9
109.10135	70.6
110.70643	2.2
111.04433	3.7
113.05969	2.5
119.08572	4.7
121.10148	4.0
125.05975	5.4
137.09590	57.4
145.08990	2.1
147.04362	3.9
147.08014	7.5
155.10641	33.5
161.09535	2.7
163.03783	2.3
165.09090	53.3
174.06720	2.4
183.10136	45.2
201.11194	100.0
207.08008	3.1
218.13881	2.2
219.10135	7.2
219.12311	5.6
235.07573	4.2
239.73547	2.4
253.08623	5.1
261.03860	5.7
273.35797	2.0
299.09186	3.4
388.33798	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
57.03421	1.4
61.02907	1.4
67.05502	14.6
69.03414	3.2
69.07040	1.4
69.70430	6.4
79.05465	1.6
79.07908	1.1
81.07061	11.4
84.65634	1.3
85.02896	11.4
91.05495	2.1
93.07030	3.0
95.04979	2.4
95.08598	10.5
95.60400	1.3
97.02888	4.0
99.04430	3.0
107.08580	2.7
108.91708	1.3
109.06522	1.4
109.10146	61.4
119.08540	2.9
121.10137	2.9
125.05971	6.8
137.09601	89.8
145.04939	2.0
155.10657	33.2
165.09091	51.1
180.08595	1.9
183.10156	24.0
201.11201	100.0
202.11595	1.7
219.10179	1.5
219.12247	4.9
326.58585	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	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03417	3.0
67.05495	2.7
69.03410	4.7
69.07057	28.1
70.06581	2.9
71.01337	4.3
71.56164	2.5
72.08126	2.9
73.02906	2.8
77.97555	1.5
79.05479	5.8
81.03382	2.3
81.07052	33.4
85.02901	20.3
91.05456	3.9
95.01295	2.9
95.04980	2.4
95.08593	3.1
97.02879	3.2
97.06517	2.8
109.06508	100.0
109.10144	3.0
111.04433	3.4
113.02351	21.8
119.08564	22.1
121.10130	1.8
123.08048	10.5
135.04434	3.2
136.04729	2.9
137.09581	5.6
139.03824	1.6
139.11099	1.7
145.04921	2.0
146.03177	2.4
147.04376	4.8
161.67339	1.5
163.03885	12.4
164.04236	6.7
165.09117	24.9
180.08719	1.6
180.12653	1.4
183.10152	91.0
184.10370	2.0
189.09192	2.3
201.09338	1.3
201.11238	5.4
206.08067	3.4
207.06326	1.8
219.10066	3.1
234.15720	1.8
356.70184	1.7
380.13461	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87133	9.2
69.30000	96.3
354.28772	9.4
381.07898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83726	0.6
55.05499	3.2
57.07074	1.2
59.04972	0.6
59.32594	0.5
67.05498	6.4
69.07058	2.8
70.74593	1.0
78.66663	0.5
79.05505	3.4
81.07040	9.8
83.08611	1.7
91.05470	8.2
93.07037	9.1
95.04942	1.6
95.08589	13.4
97.06503	3.1
97.10146	0.9
99.04433	1.0
105.07020	19.3
107.08578	9.4
109.06509	1.8
109.10135	9.6
111.08076	3.1
113.05977	1.1
115.05414	0.7
117.06995	8.1
119.08565	28.7
120.09033	0.5
121.06521	1.3
121.10128	6.8
123.08054	3.2
123.11700	2.8
125.09590	1.9
128.06203	1.8
129.07016	4.6
131.08548	10.5
132.09332	2.3
132.91133	0.6
133.10109	14.7
135.08029	0.9
135.11661	3.9
137.09586	0.9
139.07520	1.5
141.09065	2.2
142.07768	2.9
143.08533	10.2
145.10094	9.1
147.11665	100.0
148.11960	2.8
149.09583	0.8
149.13245	2.1
151.07478	0.7
153.08928	0.6
155.08557	2.7
156.09361	1.4
157.10107	10.0
159.11674	10.8
161.09618	4.9
161.13237	6.2
163.11160	0.9
163.14796	0.9
169.10089	2.6
170.10904	1.6
171.11667	6.8
173.13245	13.4
174.10349	0.6
175.11179	3.0
175.14828	3.9
177.12827	0.6
179.10669	1.3
183.11665	1.9
184.12292	0.6
185.13225	14.9
187.14801	5.5
189.12675	0.9
189.16383	1.0
191.14264	1.3
195.11639	0.8
197.13214	2.5
199.14807	10.9
201.16374	2.7
203.14267	2.8
207.13789	0.7
209.13248	1.0
211.14774	1.5
213.16335	5.4
221.13342	1.0
221.15334	7.2
223.14824	0.7
225.16336	1.8
227.17908	4.2
229.15961	0.9
235.16858	1.1
239.17966	2.0
241.15680	0.7
241.19475	4.9
245.15906	0.6
247.16884	1.6
253.19560	0.9
255.20929	0.7
281.22614	1.4
307.24033	2.8
321.22186	1.0
335.27405	1.5
338.13632	0.6
339.23187	2.1
345.25583	0.9
363.26920	3.1
381.27927	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	381.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27087	0.4
53.03936	0.7
55.05501	4.0
55.99216	0.5
66.12917	0.4
67.05495	6.5
67.59905	0.4
69.07051	3.2
69.53333	3.1
69.53750	0.9
70.45932	0.4
74.46642	0.4
79.05483	4.4
81.07043	10.4
83.04951	0.9
83.08606	1.3
85.06505	0.4
91.05464	8.0
91.27642	0.5
91.58240	0.5
93.07024	10.1
95.04941	2.2
95.08591	16.8
96.08905	0.7
97.06507	3.1
97.10143	1.0
99.04467	0.9
103.05479	1.1
105.07012	21.4
105.75955	0.5
107.08574	10.8
109.06517	1.7
109.10137	9.1
111.04432	0.9
111.08070	2.9
113.05978	0.8
115.05423	1.0
117.07000	7.5
119.08563	32.2
120.08849	0.8
121.06482	1.6
121.10122	6.6
123.08047	3.0
123.11694	2.6
125.09618	1.9
128.06189	1.4
129.06990	5.6
131.08551	12.2
132.09402	3.0
133.10115	11.7
134.10550	0.5
135.08047	1.3
135.11668	4.0
137.09628	0.9
139.07509	2.1
141.06972	1.5
141.09091	1.9
142.07797	2.8
143.08533	10.9
145.10085	11.0
146.10429	1.3
147.08032	1.7
147.11664	100.0
148.12006	3.1
149.09607	0.9
149.13266	2.0
155.08510	2.7
156.09325	0.7
157.10106	12.5
159.08043	0.7
159.11673	11.0
160.50087	0.5
161.09575	3.4
161.13225	6.1
163.11203	1.0
163.14758	0.6
167.08514	0.8
167.10463	0.5
169.10092	2.1
170.10883	1.4
171.11679	7.7
173.13249	11.0
174.13577	0.8
175.11115	2.5
175.14810	5.0
177.12685	0.7
181.10208	1.2
183.11617	3.3
185.13237	12.7
187.11177	0.7
187.14790	5.1
189.12799	0.9
191.14359	0.8
195.11685	1.2
197.13225	2.9
198.13715	0.7
199.14806	12.5
201.16347	2.9
203.14342	2.9
207.11789	0.8
207.13727	0.7
209.13266	0.9
211.14752	1.4
213.12779	0.6
213.16348	6.5
221.15334	8.3
223.14767	1.0
225.16393	1.8
227.17888	3.3
229.15843	0.9
237.16336	1.0
239.17990	2.2
240.18626	0.7
241.19492	7.0
247.16904	0.9
251.17981	0.8
255.21098	0.8
265.19562	0.9
267.17493	0.6
267.75055	0.6
281.22623	1.4
281.30212	0.5
282.23254	0.6
293.22632	0.7
307.24136	2.3
321.22009	1.4
335.27451	1.4
339.23114	1.6
345.25906	0.8
363.26727	2.1
381.28137	10.4
382.28241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72944	1.9
55.27225	2.2
56.96550	2.1
57.07077	3.1
57.89558	2.1
59.04963	2.4
60.05054	2.3
65.03899	1.8
67.05481	2.5
69.88181	11.0
72.04494	8.1
78.92265	2.0
79.05438	1.9
81.03397	2.4
83.04981	3.5
85.02894	6.4
85.06541	4.7
89.03909	11.0
90.05540	46.6
90.06064	4.4
95.04950	6.3
98.02399	4.8
98.20695	2.1
103.07565	2.6
107.04990	2.0
110.47527	2.2
111.04443	3.1
113.05954	2.3
116.03452	6.0
117.03373	11.1
124.07542	11.7
135.04395	21.9
137.05923	2.3
139.03952	2.5
142.08580	4.8
143.00168	2.4
145.02835	10.9
163.03885	82.7
164.04216	7.6
179.03502	2.6
184.09674	7.3
185.04111	2.4
192.06595	2.4
202.10719	19.8
206.53445	1.9
207.06619	2.3
208.06346	2.7
220.11763	100.0
239.02481	2.6
252.97905	5.0
312.98688	1.9
372.89243	2.1
383.09436	16.0
409.01831	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	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33613	0.3
56.96555	8.0
59.58041	0.3
66.41866	0.3
68.73470	0.3
70.17645	1.1
71.95271	1.8
73.04761	0.3
80.44647	0.3
81.07041	0.4
98.97569	55.0
99.97902	0.5
108.00574	0.3
116.98604	62.8
117.98942	0.3
128.03993	0.3
134.99640	48.9
135.99985	0.5
137.03001	0.4
140.00145	1.7
149.01079	0.3
153.00681	9.2
158.01234	3.4
158.30125	0.3
176.02278	0.6
177.00914	1.8
178.01080	0.7
179.00726	0.9
181.97276	0.4
183.25095	0.3
192.98756	0.6
216.98747	1.3
217.98965	0.3
219.01991	3.8
219.03909	0.5
220.02138	1.7
221.01802	0.9
222.97910	0.5
234.99878	4.3
236.00043	1.9
236.99693	0.7
240.98595	5.4
241.98813	0.5
253.00928	1.2
254.01195	0.5
256.96570	0.3
258.03079	1.0
258.99765	56.5
260.00034	5.2
260.99844	1.0
261.03021	2.7
262.03027	0.5
263.02792	1.3
264.99002	1.0
274.97699	1.0
275.98132	0.4
277.00806	100.0
278.01013	8.4
279.01013	1.9
282.01288	3.3
282.99918	15.4
284.00012	5.5
284.99692	1.7
292.98801	0.5
295.01974	1.3
299.99243	0.4
300.02402	6.1
301.00995	30.2
302.01102	11.5
303.00940	3.4
316.98947	0.9
317.98898	0.7
318.98697	0.4
319.01889	2.1
320.02240	0.9
324.02588	1.4
325.02670	0.6
340.02103	0.6
341.02222	1.3
359.01532	7.4
360.00577	1.0
364.98917	0.5
377.02631	3.8
382.99783	1.0
383.04288	1.4
401.00943	9.8
402.00940	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	383.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55675	0.7
55.03323	0.6
55.05482	1.8
67.05460	1.2
69.03368	1.2
69.07030	1.1
70.52141	2.0
71.04949	0.9
81.07005	2.3
83.04900	0.8
91.05424	1.1
93.07024	1.7
95.04915	0.9
95.08560	1.6
100.11247	4.3
105.06946	1.0
107.04915	1.7
107.08500	1.9
109.06475	0.9
109.10093	1.5
111.04299	0.8
119.08527	1.2
121.06484	0.8
121.10094	1.2
123.11668	0.9
131.08504	1.4
135.07993	0.8
135.11623	0.9
137.05923	1.9
138.86087	0.7
145.10127	0.8
159.11679	1.5
163.11194	0.7
168.54425	0.8
199.07495	2.5
210.14874	1.4
221.11462	100.0
222.11783	2.7
247.07487	1.0
274.28711	0.9
277.11511	0.8
299.76431	0.7
335.12759	1.0
383.16776	48.2
384.16940	1.8
407.09085	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
54.48952	3.4
55.01863	11.5
55.05503	29.8
55.12970	3.2
57.03418	12.2
61.02910	8.6
67.05495	36.9
69.03425	47.2
69.07054	27.0
71.01323	4.2
71.04984	43.0
73.02903	9.0
79.05494	31.1
81.03407	22.9
81.07047	100.0
82.06504	3.9
83.04972	17.0
83.08611	14.7
85.02897	51.7
85.06570	4.8
87.04462	6.2
91.03937	4.2
91.05471	38.2
93.07034	71.6
95.04970	31.4
95.08588	64.2
97.02884	27.2
97.06531	10.3
97.10135	7.9
99.04432	10.8
99.08103	8.1
100.11263	8.5
103.03944	9.8
105.07020	79.1
107.04929	10.6
107.08587	61.5
109.06503	16.8
109.10147	59.6
110.86935	3.7
111.04440	13.8
111.08048	5.7
115.03945	9.0
117.07014	14.4
119.08573	64.2
121.06493	12.2
121.10132	61.7
123.04402	11.8
123.08062	23.2
123.11712	26.0
125.09630	14.5
127.03921	8.2
127.11211	23.0
128.06250	5.9
129.07008	10.8
130.07797	4.7
131.08559	29.5
133.06537	5.0
133.10109	51.2
135.08064	14.8
135.11665	41.4
137.05959	8.7
137.09621	13.3
137.13232	5.2
139.07512	5.7
141.07007	5.6
142.07761	6.3
143.08539	24.9
143.10651	5.4
145.06516	8.8
145.10092	49.3
147.08052	15.3
147.11694	51.5
149.09633	10.7
149.13242	20.7
151.07539	5.6
151.11215	8.7
153.12743	12.9
153.64809	3.9
155.08548	6.5
156.09372	7.6
157.10155	25.7
159.08055	5.0
159.11678	52.6
161.09593	9.3
161.13225	27.6
163.11284	8.3
163.14813	6.7
165.09074	8.4
165.12778	9.8
169.10182	7.6
171.07961	4.7
171.11621	29.2
173.09650	7.7
173.13283	21.0
175.11226	11.3
175.14789	7.1
177.09081	6.3
177.12741	9.4
179.14371	5.1
181.08679	4.3
181.10086	5.9
182.15335	4.7
183.11642	9.3
185.09706	4.8
185.13356	12.7
187.11157	5.4
187.14827	12.1
189.09094	6.5
189.12721	8.7
189.16344	23.7
191.14267	6.9
193.15918	9.8
195.11714	8.6
195.17381	7.9
197.13260	7.9
199.14876	6.2
201.12766	13.7
201.16418	20.0
203.14357	4.9
203.17883	20.0
207.11726	4.8
213.12787	9.7
213.16389	8.4
215.17879	5.5
217.10562	5.2
219.17419	6.5
221.18980	8.2
223.14857	4.1
225.12822	5.8
227.17860	6.8
233.19038	8.7
243.13779	4.4
245.18985	15.5
261.14746	7.2
263.20041	5.3
269.30325	4.3
279.16260	4.3
297.17422	4.7
298.21655	4.4
305.21136	6.3
311.20099	7.3
311.34613	4.0
329.21082	14.4
347.22339	8.7
365.23279	17.6
368.65353	4.7
383.15027	7.0
383.24222	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.8
55.01855	17.0
55.05509	23.4
57.03424	21.0
57.07063	7.7
58.49498	4.2
61.02917	13.2
65.03948	5.5
67.05506	50.3
67.59312	4.5
69.03426	42.5
69.07057	29.8
69.60860	34.5
71.01349	8.6
71.04984	53.2
73.02901	20.6
79.05486	38.1
81.03400	21.7
81.07050	100.0
83.04967	14.3
83.08608	12.8
85.02895	53.9
87.04451	8.2
91.05473	45.1
93.07031	80.7
95.04946	21.1
95.08602	96.5
97.02873	26.5
97.06531	13.4
97.10158	7.9
98.97569	14.5
99.04448	6.7
99.08083	7.9
103.03938	11.3
105.07021	78.9
107.04955	7.7
107.08582	83.3
109.06492	11.0
109.10141	53.3
111.04453	11.0
111.08041	13.7
111.11651	7.0
115.03926	13.3
116.98605	6.8
117.06974	14.3
119.04929	17.1
119.08575	96.4
121.06471	8.2
121.10131	50.8
123.04389	10.3
123.08049	16.3
123.11700	36.3
125.09608	8.5
126.84305	4.4
127.03911	6.8
127.07574	5.2
127.11156	23.1
129.06979	11.5
130.07613	5.3
131.08540	36.3
133.04967	6.0
133.10114	51.0
135.04309	5.5
135.08041	14.6
135.11670	50.0
137.05969	8.7
137.09599	29.1
137.13225	9.8
139.07516	6.8
139.11101	6.8
142.07779	7.9
143.08556	26.7
144.09314	6.0
145.06476	5.5
145.10086	37.9
147.04388	52.1
147.08011	9.2
147.11652	47.5
148.04695	6.0
149.09631	12.9
149.13260	26.1
151.11209	25.1
153.12720	10.2
155.08560	9.7
156.09325	7.6
157.10130	41.4
159.08034	11.9
159.09265	4.8
159.11678	74.1
161.09596	6.3
161.13266	28.9
163.11156	9.4
163.14822	6.0
165.09048	6.2
165.12766	4.5
167.08418	6.6
169.10100	16.4
170.10921	6.2
171.06595	6.3
171.11697	36.8
173.09648	6.8
173.13257	20.5
175.07529	4.5
175.11154	12.5
175.14796	10.6
175.57057	4.6
177.09085	5.6
177.12694	16.3
181.10124	8.4
183.11720	14.5
185.13234	20.2
187.11206	8.4
187.14841	16.2
189.12744	11.7
189.16347	12.9
193.15811	6.7
195.11656	12.1
197.09782	6.7
197.13199	10.5
201.12746	14.6
201.16411	17.1
203.14311	8.5
203.17931	38.2
207.11743	9.4
211.14850	6.3
213.12776	10.6
213.16388	6.0
215.14235	6.5
215.17966	10.1
219.17410	17.5
221.19020	11.4
223.14851	5.0
225.12752	10.9
227.17986	7.5
231.17329	9.3
233.18977	33.2
241.15776	6.9
243.13773	9.8
243.17323	6.7
245.18990	13.4
257.18997	8.3
259.16824	6.4
261.14731	8.7
279.15857	5.2
287.20081	6.7
297.17007	5.8
299.20041	5.9
311.20056	10.4
329.21085	16.8
347.22076	18.7
352.31888	5.4
365.23300	29.7
383.24292	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40153	4.1
53.03930	9.8
53.87774	3.7
54.71812	3.5
55.01862	14.3
55.05500	21.4
56.96577	4.3
57.03439	19.7
57.07053	6.9
59.04974	5.5
61.02914	9.1
65.03939	5.0
67.05502	33.9
69.03426	28.1
69.07066	20.3
70.89716	12.9
71.01345	4.2
71.04981	36.9
72.57705	3.7
73.02887	10.4
79.05482	23.7
81.03406	23.2
81.07049	80.3
83.04968	7.4
83.08627	11.4
85.02896	36.9
91.05473	37.7
93.07031	59.7
95.04964	19.4
95.08594	62.5
97.02885	15.3
97.06523	11.0
97.10173	10.9
99.04477	7.7
103.03918	4.8
103.87068	4.0
104.77803	4.3
105.06351	7.9
105.07013	74.3
107.08572	47.3
109.02856	7.5
109.06493	14.2
109.10123	42.5
111.04462	7.2
111.08093	4.0
115.03909	7.9
117.07004	17.8
119.04958	6.0
119.08572	100.0
119.78571	4.1
121.06480	15.2
121.10130	42.5
123.04436	8.7
123.08065	23.3
123.11697	18.6
125.09628	10.7
127.03875	6.6
127.11171	13.0
128.06200	7.7
129.05450	4.6
129.06972	4.8
131.08574	32.2
133.04915	6.6
133.06499	5.6
133.10110	35.0
135.08055	8.9
135.11688	23.1
137.05960	6.5
137.09604	14.1
137.53416	4.8
141.06998	4.8
142.07690	9.1
143.08511	20.0
144.09332	7.1
145.06389	6.1
145.10103	36.8
147.08052	11.4
147.11636	37.7
149.09624	8.0
149.13263	9.1
151.07535	6.4
151.11148	11.9
153.12718	6.1
155.08556	10.7
157.10109	45.3
159.11693	48.4
161.09673	7.2
161.13203	19.7
163.11157	14.9
165.09123	4.8
165.12746	4.5
169.10158	11.3
171.08064	6.9
171.11629	26.9
173.09618	9.9
173.13298	15.7
175.11201	9.4
175.14832	6.0
177.09106	6.0
177.12720	11.1
183.11705	15.2
185.13249	8.7
187.11234	6.3
187.14806	4.8
189.08995	3.8
189.11143	5.5
189.12746	6.5
193.12196	5.8
193.19714	4.1
195.10106	5.3
195.11787	8.0
197.13249	7.8
199.07494	15.4
201.03903	4.7
201.12704	15.3
201.16417	9.6
203.08777	4.0
203.14366	7.8
203.17967	16.6
205.15884	16.8
207.11684	6.7
209.13326	6.4
213.12843	9.5
213.16483	6.2
215.17902	6.8
219.13754	5.3
219.17418	5.7
221.19022	10.2
225.12825	10.7
227.17903	6.6
233.19040	11.0
239.14368	5.8
241.15953	7.1
241.19452	4.7
243.13835	10.1
245.19023	12.4
257.19022	6.5
261.14948	11.0
261.18533	5.2
263.19901	4.9
269.19336	5.0
279.15872	4.3
287.19971	4.9
305.20966	5.1
311.19769	4.5
329.21097	12.6
347.22232	11.6
365.23364	10.1
383.24118	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.05504	12.7
57.07067	17.4
58.08905	2.9
59.04987	9.9
65.03928	3.2
67.05494	32.7
69.03413	15.3
69.07048	10.7
69.72325	2.6
71.04965	7.8
71.30585	5.3
77.62640	2.4
79.05482	29.1
79.63750	2.4
81.03392	3.2
81.07045	41.3
83.04958	8.8
83.08605	3.4
85.06512	5.1
91.05474	53.5
93.07033	100.0
94.07349	4.5
95.04958	30.7
95.08593	39.9
97.06496	13.9
103.05468	3.8
105.07021	89.4
107.08578	45.0
109.06494	29.7
109.10143	24.6
111.08054	10.7
115.05409	4.6
117.06997	11.5
119.08565	63.9
121.06486	16.3
121.10142	52.1
123.08061	38.6
123.11700	2.9
125.09575	2.9
128.06192	8.0
129.06978	12.9
130.74905	2.8
131.08537	29.7
132.09293	2.9
133.06450	8.9
133.10117	31.6
135.08041	23.8
135.11662	7.3
137.05927	4.4
137.09587	15.1
141.06975	6.2
142.07762	18.9
143.08548	27.4
144.09222	3.2
145.06413	7.7
145.10112	36.9
147.08038	32.5
147.11659	15.4
149.09621	28.6
150.10355	4.9
151.07529	44.2
153.08925	3.0
155.08524	4.9
156.09322	8.2
157.10112	44.9
159.07999	9.8
159.11656	17.2
160.08788	4.0
160.12346	3.0
161.09564	24.1
161.13274	6.8
163.11221	6.8
165.07097	3.6
165.07658	3.6
165.09097	55.5
169.10144	6.8
170.10904	10.2
171.11632	10.0
172.08936	3.4
173.09599	10.9
173.13248	8.0
175.11172	21.5
175.14807	8.2
177.09090	13.6
178.09744	5.7
183.11638	8.7
185.09663	4.5
185.13193	14.6
187.11182	7.2
189.12804	13.5
191.14189	5.4
195.11641	6.9
197.13200	6.7
199.11177	6.7
199.14629	3.6
201.12688	8.9
203.14288	35.0
207.11935	3.7
207.13742	16.9
209.13316	5.2
209.15190	5.4
213.12708	4.7
215.14285	6.4
219.13724	7.3
221.13495	3.1
221.15338	88.7
223.14896	3.9
227.14331	4.3
231.13631	3.9
233.15317	8.7
234.16164	13.5
235.16734	2.9
237.14804	3.1
243.13846	4.6
263.17899	3.2
271.17041	3.2
281.18665	3.3
286.19382	3.5
287.19962	7.3
299.19974	7.6
303.19547	10.9
344.69196	2.8
347.23669	5.2
365.24680	11.1
383.25745	60.2
384.25967	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.52351	1.8
53.03942	7.6
55.01851	4.5
55.05497	15.4
57.03422	3.3
57.07068	10.9
58.94109	1.6
59.05002	5.0
61.11814	1.8
65.03920	4.7
66.04704	2.0
67.05497	32.5
69.03425	18.1
69.07063	8.6
70.82078	5.8
71.04979	7.4
79.05486	27.7
81.03437	2.2
81.07044	38.8
83.04967	7.7
83.08606	2.8
85.06528	6.8
91.05473	43.2
92.05771	2.7
93.07034	100.0
95.04956	28.8
95.08598	38.3
97.06526	15.9
103.05460	2.7
105.07018	80.9
106.07346	1.9
107.04964	2.9
107.08585	41.8
108.14743	1.8
109.06506	29.7
109.10151	18.4
111.08064	10.3
115.05441	2.6
116.06265	2.9
117.06979	14.9
119.06123	2.1
119.08568	55.6
121.06514	11.2
121.10134	53.2
123.08062	33.3
128.06197	8.3
129.06998	12.0
130.07774	5.1
131.08556	31.3
133.06500	9.7
133.10109	34.7
135.08043	30.4
135.11685	5.0
137.06003	4.2
137.09604	14.2
141.06987	5.5
142.07787	23.3
143.08546	27.1
144.09273	2.5
145.06456	4.8
145.10097	38.0
146.07138	1.9
147.08029	29.7
147.11670	15.4
148.08800	5.2
149.09608	28.1
151.07530	45.3
152.07945	2.2
153.09050	2.9
155.08534	8.5
156.09334	8.8
157.10110	41.9
157.11279	3.4
158.10722	1.9
159.08047	9.5
159.11665	15.9
160.08855	2.3
161.09616	21.9
161.13237	6.5
163.11171	6.9
165.09087	49.6
166.09508	1.9
167.08603	2.5
169.10150	5.9
170.10924	7.6
171.08205	2.3
171.11696	8.7
172.08884	2.9
173.09581	11.4
173.13245	8.5
175.11153	23.5
175.14839	7.4
177.09077	12.9
177.12776	2.4
178.09824	4.1
179.10696	3.4
181.10066	2.9
182.10834	2.3
183.11708	8.4
185.13231	18.9
187.11198	6.5
187.14841	3.1
189.12749	13.8
191.14337	3.0
193.10164	2.8
195.11664	5.6
197.13268	5.2
199.11227	3.9
199.14758	2.4
201.12782	9.9
203.14296	34.9
207.11893	3.9
207.13811	15.0
209.13327	5.2
209.15332	4.1
211.11177	3.5
213.12810	3.2
215.14359	6.1
216.15007	3.1
219.13808	6.8
221.13368	3.7
221.15332	91.6
222.15747	4.7
225.12711	2.0
225.16383	2.4
227.14207	4.6
231.13649	2.7
233.15393	6.0
234.16060	13.2
237.14706	3.6
243.13774	4.2
263.18082	2.3
271.16986	2.1
281.19141	4.4
286.19223	7.7
287.20013	9.9
297.18509	2.5
299.20184	6.8
303.19592	9.6
309.18600	4.1
347.23685	2.7
355.95511	2.0
365.24628	11.5
370.91284	1.7
383.25723	57.0
383.30429	3.6
384.26233	5.1
400.65607	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.05506	18.0
57.07045	14.5
59.04975	8.2
59.25791	4.0
63.26693	3.5
65.03918	5.2
67.05491	43.6
69.03416	15.1
69.07040	12.6
70.20055	3.8
70.75430	3.2
71.04977	8.6
72.24881	2.9
73.95662	3.2
77.45384	3.8
79.05483	33.2
81.07053	47.5
83.04961	8.7
83.08578	5.2
85.06506	6.6
89.44411	3.7
91.05464	55.7
93.06466	5.0
93.07033	100.0
95.04954	32.8
95.08595	54.6
97.06507	12.1
97.45815	3.1
97.80814	3.5
105.07018	87.2
107.08584	48.0
109.06503	32.1
109.10128	25.5
111.08044	13.9
117.06973	14.1
119.04926	5.0
119.08556	53.8
121.06474	13.4
121.10134	48.2
123.08054	33.1
128.06184	8.3
129.06995	11.8
130.07773	5.8
131.08553	29.4
133.06454	11.0
133.10098	31.7
135.08047	22.4
135.11667	7.9
137.05977	5.3
137.09584	9.6
141.80289	3.4
142.07759	23.5
143.08556	29.1
144.09325	6.4
145.10114	41.8
147.08049	32.3
147.11653	19.0
149.09625	27.3
149.13263	3.9
151.07529	55.2
155.08536	7.4
156.09326	6.4
157.10110	38.0
159.07994	11.3
159.11685	21.3
160.08853	4.9
161.09641	26.1
161.13237	6.2
163.11143	10.3
165.09091	49.3
169.10112	5.8
170.10864	7.1
171.11655	12.6
173.09602	8.4
173.13217	14.4
175.11215	18.6
175.14786	9.3
177.09073	11.9
183.11620	7.8
183.57237	3.1
185.09497	5.0
185.13193	19.8
187.11237	4.7
187.14816	6.0
189.12717	11.7
191.14169	4.6
197.13177	6.5
199.11234	3.6
200.99655	3.6
201.12732	8.2
203.14317	40.1
207.13727	9.0
209.15285	5.8
211.14784	4.2
215.14313	7.7
221.13400	3.6
221.15331	94.2
222.15602	4.2
227.14139	4.3
229.47258	4.1
233.15256	4.4
234.16048	12.8
273.41803	3.9
281.18903	4.9
286.19144	5.8
287.19885	7.9
299.19907	4.9
303.19513	11.2
309.18515	4.6
365.24661	12.8
383.25650	73.7
383.30347	4.6
384.25967	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	384.1147
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.97047	0.5
55.01852	1.0
57.03403	1.7
61.02908	1.1
65.03928	0.6
65.97776	0.6
69.03387	1.7
69.93037	3.4
70.02901	0.6
70.06576	0.7
73.02892	1.3
83.04923	0.9
85.02897	3.7
86.80467	0.5
87.04456	0.7
89.03899	1.5
94.04039	0.7
97.02864	0.7
102.93903	0.8
109.02821	0.8
110.07121	0.7
116.98624	0.6
120.04336	0.8
121.05066	1.7
131.39899	0.6
135.04361	1.4
135.06586	1.1
136.06172	17.0
137.04524	0.7
139.03836	2.0
148.03894	1.6
148.06161	8.1
151.03835	0.9
160.06244	1.2
162.07729	36.5
163.03885	4.9
163.07985	1.1
188.05640	12.7
192.05144	18.5
193.01350	0.9
193.05212	0.5
194.04468	2.6
204.08842	0.6
206.06726	7.2
222.03931	10.2
222.07312	0.8
234.06210	10.7
252.07253	100.0
253.07585	2.8
384.11499	24.4
385.12006	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	384.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
56.05013	1.0
57.03405	0.4
69.03411	0.4
69.36999	2.5
70.02929	0.4
70.06574	1.4
72.93754	0.3
77.07472	0.3
79.05466	0.3
84.04469	0.4
85.02898	0.6
85.04012	0.7
87.12076	0.2
91.05520	0.4
98.20677	0.5
98.97569	0.3
99.02660	0.6
99.05550	0.7
102.06087	0.3
107.04931	0.9
110.60078	0.3
118.06546	0.5
131.04567	0.4
131.07281	0.6
132.08069	1.1
132.95796	0.4
133.06453	0.2
133.08847	0.4
134.09630	0.3
136.02122	0.5
145.06085	0.5
147.04388	0.5
150.03793	0.3
154.03172	0.4
156.04779	0.9
158.05978	0.3
159.80045	0.3
162.05479	1.0
162.09134	2.0
163.03853	0.3
164.05283	5.1
165.05957	0.3
166.98740	0.3
174.24553	0.2
174.96901	0.7
176.06999	0.3
176.96863	0.6
177.03268	1.0
177.05453	0.3
177.07829	1.9
180.04741	0.4
182.02657	0.8
182.06358	1.2
185.08325	0.3
192.04701	0.5
193.05487	1.7
194.06274	0.7
204.10229	0.3
207.08932	0.8
208.07837	0.4
208.09641	4.4
209.09967	0.3
210.05817	7.2
210.07733	0.5
218.06332	1.4
221.09258	0.3
234.98839	0.4
235.99385	0.3
238.05295	100.0
239.05653	3.0
240.06853	10.2
246.05780	0.5
254.00504	0.4
263.08453	2.2
264.06921	0.8
278.00320	0.6
281.09497	3.4
292.06296	0.9
324.12573	0.4
366.11148	9.5
367.09439	6.4
368.09787	0.3
384.12100	4.1
388.46057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1467
Annotation	Tolfenpyrad
Peak:m/z	Relative Intensity
55.01851	0.6
56.05816	0.4
58.49313	0.3
65.03923	1.5
67.05472	1.2
69.03410	0.5
71.54047	0.7
71.61774	0.4
75.99563	2.5
79.05464	1.0
81.04538	0.4
81.07028	1.3
86.26865	0.3
90.01083	1.9
91.05466	10.1
93.07045	2.1
94.07337	0.6
95.04971	0.6
95.08584	1.0
97.06500	0.4
104.02669	0.3
105.07010	1.4
106.06519	2.3
106.07285	0.8
107.04932	1.5
107.08614	0.5
109.06489	1.5
117.02155	23.0
119.06042	0.5
119.08578	0.8
120.08891	0.7
121.10098	1.0
123.08076	0.6
128.06194	0.9
129.06998	2.5
131.08543	0.8
133.10133	0.4
134.10425	0.4
137.24927	0.3
141.06973	7.2
143.03711	0.7
145.05255	26.4
145.10094	0.6
148.08417	0.5
149.09586	0.7
151.07545	0.5
153.06934	2.0
154.07753	21.4
155.08203	0.6
157.05254	0.5
157.10069	0.5
161.09544	0.4
165.09084	0.7
166.09447	0.5
167.08574	1.3
168.09268	0.6
169.10104	21.7
170.10468	0.4
171.03177	28.6
172.03583	0.6
176.11401	0.4
178.07712	0.6
179.08537	2.2
181.06436	1.5
182.07195	3.1
195.08043	0.5
197.09592	100.0
198.09903	2.9
200.05836	4.7
203.14366	0.5
221.15390	1.0
222.15639	1.0
277.09720	1.0
384.14676	78.7
384.25000	2.2
385.14920	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	385.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83103	0.8
56.96561	7.9
71.54002	0.6
71.54393	0.9
71.95255	1.0
89.00259	0.7
98.97572	45.8
99.97883	1.3
100.97984	0.6
101.00873	0.9
104.57510	0.7
116.98614	49.5
117.98905	1.2
118.98254	1.3
119.01902	6.0
122.17881	0.8
134.99649	39.3
135.99985	0.9
137.02957	2.7
140.00191	1.5
141.95630	0.6
153.00659	6.1
158.01259	2.0
175.58099	0.7
177.00943	17.2
178.01067	2.1
179.00771	1.5
181.60190	0.6
193.98976	0.8
201.00992	0.9
216.98827	1.2
217.04039	3.7
217.98959	0.7
219.01991	26.8
220.02087	3.5
221.01897	2.3
225.01059	2.0
234.99872	3.8
236.00024	2.0
236.99734	2.8
237.99939	1.4
240.98784	1.9
241.99075	0.7
242.98709	1.5
243.01929	8.0
255.00826	1.0
256.00900	0.7
258.99799	19.3
260.00012	8.2
260.99710	26.9
261.03052	100.0
261.99899	2.3
262.03217	7.1
263.02850	1.9
266.98813	1.1
276.98288	0.8
277.00824	36.6
278.00952	11.0
279.00644	44.4
280.00934	2.8
282.01315	1.6
282.99881	4.9
284.00061	4.2
284.04437	5.2
284.99756	17.1
285.99796	3.8
286.99673	1.0
300.02429	3.2
300.52887	0.7
301.00980	9.3
302.01138	8.7
303.00845	32.6
304.00916	8.9
305.00607	1.0
318.00876	1.0
318.98669	1.0
321.01926	3.0
326.02496	1.2
343.02191	4.8
344.02310	0.8
361.01202	9.2
367.02197	1.7
379.02585	5.5
385.03366	14.0
386.03156	1.2
403.00470	7.7
403.04248	13.5
404.04498	1.7
408.04456	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	385.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53600	1.4
83.55235	0.5
85.02866	1.0
107.08526	0.6
122.28152	0.5
155.05479	0.5
159.22974	0.5
167.05623	0.6
167.07014	0.5
173.06549	0.7
185.04196	2.4
195.08484	0.7
205.12244	1.2
215.61043	0.5
223.09393	100.0
224.09727	1.7
241.09164	4.3
259.10324	3.2
259.12665	0.6
385.14630	53.1
386.14954	1.3
395.50092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01857	1.1
55.05487	0.9
66.22273	0.7
67.05503	1.9
69.03415	1.5
71.53130	1.1
79.05487	4.5
81.07054	2.2
81.66322	0.9
83.04948	0.9
89.21783	0.8
91.04958	1.3
91.05473	15.5
93.07035	2.4
95.04958	3.1
95.08591	1.0
103.05458	5.6
105.07017	8.9
107.04947	8.3
109.06521	2.1
111.04446	0.9
115.05434	7.1
117.07013	4.7
118.04153	2.5
119.04924	2.5
119.08594	2.6
121.06500	5.4
121.10114	1.4
123.51180	0.8
128.06232	5.3
129.06996	14.8
131.04912	12.1
131.08548	5.9
132.05704	2.3
133.06503	5.1
133.10143	1.2
133.86673	0.8
135.08058	6.1
137.05963	15.3
143.04893	2.9
144.05681	1.5
145.06499	6.9
146.03601	3.0
146.07262	1.7
147.04353	3.7
147.08035	6.9
148.05228	2.2
149.05986	4.7
149.09615	1.0
151.03979	0.9
151.07520	10.7
157.06470	10.2
158.07285	1.1
159.04411	1.4
159.08049	2.5
160.05161	4.8
161.05968	100.0
161.09563	7.1
162.06346	2.4
163.07536	13.4
165.05544	1.3
165.06932	1.6
165.09099	3.5
173.05980	2.1
173.09647	1.0
174.06770	7.7
175.07532	67.1
176.08006	1.5
177.05486	1.3
177.09099	2.8
178.07764	2.9
179.08578	1.8
181.08701	1.1
185.05930	3.8
185.09557	1.1
187.07510	2.5
189.07272	1.3
189.09087	34.3
190.07822	0.9
191.07018	4.9
191.08577	3.7
192.09241	1.0
193.06731	0.7
193.08604	2.4
195.08031	1.5
198.06696	1.0
199.07539	1.6
201.09151	1.1
202.07784	3.0
203.08539	2.0
204.09419	0.9
205.06471	3.3
205.08585	2.9
205.10252	1.0
206.07269	3.2
207.07999	2.7
207.10168	9.4
208.08829	2.1
209.09645	1.9
211.07355	0.9
213.09077	1.9
215.08592	1.4
217.06511	2.3
217.10239	1.3
218.07277	3.5
219.08084	6.4
220.08826	3.3
221.05995	4.0
221.09624	4.4
222.06656	1.4
223.07530	1.3
223.11171	2.2
231.08032	2.4
232.08780	1.2
233.05931	2.3
233.09618	2.6
234.06786	7.7
234.10385	2.1
235.07520	8.7
236.08260	3.9
237.09053	2.1
238.09930	1.1
245.05940	4.9
245.09608	4.2
246.06779	2.0
246.10431	2.6
247.07607	5.0
248.08205	4.3
249.05396	1.4
249.09097	15.1
249.11676	1.2
249.12827	1.6
250.09689	1.9
251.07004	3.0
251.10660	8.8
253.08629	2.6
259.07605	2.0
260.08240	0.8
261.05356	1.0
261.09097	4.3
262.06296	3.7
262.09863	3.1
263.06973	4.6
263.10626	3.1
264.07785	4.5
265.08612	4.8
265.12146	0.9
266.09290	2.1
267.10083	0.9
273.09018	2.1
274.09903	1.3
275.06937	2.3
275.10760	1.6
276.07831	2.8
277.08600	14.0
277.12228	9.0
278.09262	3.4
278.12518	1.4
279.06589	2.8
279.10153	11.5
280.10852	1.8
281.08029	2.9
281.11432	1.5
283.13318	1.3
289.08664	1.1
289.12186	1.4
290.09344	1.9
291.10178	6.2
292.10669	1.6
293.08023	7.3
293.11646	2.8
294.08813	3.4
295.09644	1.8
295.13287	1.1
296.10400	4.9
299.12732	1.2
302.09521	0.8
303.10071	1.6
305.11700	6.3
306.09003	1.4
306.12317	1.3
307.09671	2.4
307.13312	3.3
308.10336	3.0
309.11182	12.7
310.11758	1.8
311.09186	1.2
311.12723	34.9
312.13150	2.2
317.11713	2.9
321.11099	1.6
322.11966	2.3
323.12668	7.8
325.14246	6.1
335.12796	1.5
337.14288	16.2
338.14874	1.5
339.12061	1.2
340.12939	1.3
349.14246	2.4
355.15366	31.9
356.15961	4.9
367.15375	9.0
368.16119	4.0
385.05539	1.0
385.16766	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
63.68301	0.9
65.02732	0.9
65.03981	0.8
67.05482	2.6
69.07068	0.9
69.89048	3.6
69.89456	2.3
79.05473	3.8
79.38924	0.9
81.07047	1.7
83.04894	1.1
85.06577	1.0
87.83177	0.9
91.03724	0.9
91.05473	13.6
93.07008	1.4
95.04951	2.0
95.08598	1.2
103.05459	5.9
105.07006	9.5
107.04948	9.2
107.08582	1.4
109.06469	1.8
115.05434	6.1
117.06966	4.2
118.04144	2.6
119.04923	3.1
119.08585	2.4
121.06467	4.5
121.10081	1.5
123.04422	0.9
123.08060	1.2
128.06181	4.3
129.06992	14.2
131.04904	11.1
131.08537	4.7
132.05702	2.2
133.06453	4.2
135.08040	4.9
137.05956	16.7
143.04900	2.5
144.05679	1.4
145.06473	7.4
146.03600	3.3
146.07236	2.7
147.04379	3.3
147.08029	7.3
148.05170	2.6
149.05965	5.9
151.07510	9.3
157.06468	10.8
159.04414	1.9
159.08028	2.2
160.05179	4.6
161.05965	100.0
161.09561	9.0
162.06514	2.3
163.07524	13.7
165.06915	1.4
165.09166	5.0
167.07047	1.5
170.03618	1.2
171.04225	0.9
173.05901	1.8
174.06784	8.1
175.07530	67.2
176.07967	1.1
177.09093	1.9
178.07745	3.1
179.08542	1.7
181.08549	2.0
182.07291	1.0
185.05917	2.3
187.07541	3.4
189.07265	1.3
189.09081	33.9
190.07764	1.1
191.06967	4.9
191.08517	2.2
193.06532	1.4
193.08510	2.5
195.08162	1.3
195.10120	1.1
198.06703	1.0
199.07539	2.8
202.07735	1.8
203.08513	1.0
205.06439	3.4
205.08517	3.4
205.10213	1.3
206.07256	2.9
207.08061	2.6
207.10135	7.9
208.08762	1.6
209.09644	1.4
213.09015	2.8
217.06514	1.8
217.10130	1.5
218.07291	3.3
219.08163	6.1
219.11826	1.2
220.08743	3.4
221.05969	2.4
221.09558	3.9
221.12906	1.0
223.07541	1.6
223.11169	2.9
231.08032	2.4
231.10170	1.4
233.05862	2.0
233.09550	2.8
234.06723	7.1
234.10281	2.2
235.07506	6.8
236.08257	3.4
237.09056	2.6
239.10645	0.9
245.05954	4.4
245.09607	4.2
246.06683	1.3
246.10489	2.5
247.07500	5.6
248.08278	2.7
249.05482	1.2
249.09120	12.1
250.06233	1.3
250.09779	2.0
251.06885	2.5
251.10744	9.3
253.08632	2.3
257.09500	1.7
259.07635	1.8
261.09045	3.6
262.06241	3.3
262.09869	3.5
263.07324	4.8
263.10663	2.9
264.07828	2.5
265.08517	6.4
265.12137	1.0
266.09424	1.8
272.08142	1.0
273.09097	3.2
274.09796	1.2
275.07001	2.2
275.10541	1.2
276.07892	1.8
276.11346	0.9
277.08566	15.0
277.12213	11.1
278.09262	4.4
279.06857	1.7
279.10117	12.4
280.10712	2.1
281.08084	3.1
283.13190	2.0
289.08701	1.4
289.12112	1.5
290.09369	2.5
291.10092	6.4
291.91003	1.2
293.08026	6.2
293.11563	3.3
294.08856	3.1
295.09552	1.5
295.13016	1.3
296.10446	5.5
303.09833	1.5
305.11649	7.1
307.09653	3.2
307.13293	1.7
308.10300	4.4
309.11185	13.7
311.09103	2.5
311.12720	36.4
312.13040	1.9
317.11496	1.7
321.11340	1.5
322.11838	2.2
323.12753	9.2
325.14365	4.7
326.11197	1.2
334.11993	1.3
337.14337	16.7
339.12119	1.5
340.13013	1.5
341.13852	1.1
349.14197	3.3
355.15344	33.4
356.16025	4.3
367.15396	9.8
368.16119	2.2
385.05804	2.0
385.16663	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	385.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
57.03422	1.9
61.02938	4.2
67.05489	2.9
69.03417	10.4
71.53384	2.1
71.53736	2.0
72.65924	1.8
75.88743	2.0
76.09293	1.6
79.05489	5.5
81.03397	2.0
81.07040	3.7
83.04984	4.8
85.02889	20.8
91.03962	1.7
91.05478	16.3
93.07037	4.1
95.04964	4.9
95.08608	2.3
97.02888	5.7
98.97596	3.8
99.04442	2.1
103.05474	2.5
105.07011	8.3
107.04954	4.6
107.08596	2.8
109.02901	2.7
109.06474	2.5
115.05450	3.1
116.98534	2.3
118.04195	2.3
119.04932	4.9
119.08585	3.5
121.06481	23.6
121.10136	4.4
122.03649	2.3
123.08061	17.9
127.03915	5.4
128.06235	2.9
129.06989	7.9
130.11745	2.0
131.04901	5.3
131.08568	2.5
135.07997	3.0
137.05942	25.5
139.07549	4.9
145.04893	2.2
145.06522	3.6
146.07222	3.4
147.04416	3.5
147.08025	5.3
148.05099	1.8
149.05981	5.0
149.09647	8.9
151.07529	10.6
157.06480	6.1
159.08031	3.4
160.05177	2.7
161.05963	100.0
161.09575	20.9
162.06274	2.8
163.07533	6.1
163.11163	3.7
165.09048	9.0
167.07033	2.3
173.06012	2.2
174.06773	3.4
175.07542	31.3
177.00687	1.9
177.09087	3.2
177.12778	3.8
179.10632	4.1
184.81267	1.6
185.05986	4.4
185.09586	1.8
187.07466	3.3
189.09082	40.4
191.06998	2.3
198.06757	3.1
199.07445	3.0
205.12204	28.7
207.10118	30.2
207.13823	4.2
213.09384	8.2
219.08150	2.6
222.08275	4.1
223.13280	26.8
235.07585	2.2
237.02765	2.3
243.10161	7.4
249.09164	6.0
251.10718	3.6
261.11343	4.8
265.08459	2.9
277.08582	4.8
277.11984	2.4
279.10114	5.0
291.10110	2.4
309.11206	5.7
311.12820	20.7
314.67914	1.9
323.12805	4.4
335.13062	2.2
337.14227	9.2
341.13840	5.3
349.14188	2.5
355.15341	6.6
367.15268	8.1
385.12631	2.6
385.18634	3.8
389.23840	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	385.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78815	1.2
53.03931	6.8
55.01849	5.1
55.05502	10.0
56.36459	1.2
56.47865	1.1
57.03425	6.7
57.07038	1.2
61.02923	11.0
67.05470	3.2
69.03075	1.9
69.03420	33.5
69.07040	4.2
69.55280	9.0
71.04983	3.5
73.02914	3.2
79.05479	10.9
79.82127	1.4
81.03407	10.1
81.07031	2.9
83.04958	9.4
83.08604	2.2
85.02892	64.9
87.04432	5.5
91.03932	3.9
91.05476	11.2
93.07047	8.7
95.04939	15.1
95.08578	6.5
95.87546	1.4
97.02294	1.2
97.02883	24.4
97.06501	4.1
99.04434	4.6
105.04500	1.4
105.07003	4.2
107.04926	3.2
107.08558	5.9
109.02862	10.1
109.06490	6.4
109.10124	1.9
111.84510	1.5
119.08559	3.4
121.06484	85.1
121.10101	6.4
123.08048	69.7
127.03918	16.2
131.08525	1.9
133.10065	2.6
135.08066	6.8
135.11623	3.6
137.05968	4.4
137.09590	3.3
139.03860	1.4
139.07513	28.0
143.62840	1.6
145.04936	12.7
145.10088	3.0
147.11629	1.4
149.05975	6.9
149.08401	1.8
149.09595	34.7
151.07481	2.7
159.11714	3.4
161.09607	3.8
163.07524	3.0
163.11131	12.6
165.09091	17.0
167.07072	7.9
177.12724	18.7
179.10651	21.4
181.12209	1.8
187.11093	4.5
189.12682	2.4
205.12215	100.0
206.12599	3.9
207.13747	14.1
223.13263	23.8
272.78836	1.4
301.12802	4.0
311.11169	2.3
385.14352	4.8
385.18417	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	385.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
55.01865	1.0
55.05505	54.2
57.03425	24.3
57.07069	46.1
59.04981	1.2
67.05495	23.9
69.07057	70.9
69.32344	11.8
70.07388	1.0
71.04969	3.2
71.08623	33.5
73.06513	2.1
75.04474	1.7
79.05477	10.4
81.07047	33.8
83.04970	3.0
83.08607	49.0
85.06513	3.6
85.09703	1.5
85.10169	15.6
91.05471	2.5
92.02208	1.0
93.07027	16.2
95.08591	30.7
97.06522	11.5
97.09528	1.8
97.10155	32.3
99.08097	1.4
99.11729	1.3
101.05996	2.9
105.06960	1.3
107.08587	11.4
109.10148	14.1
111.08041	9.0
111.11707	12.0
111.73064	1.3
115.07536	3.2
121.10130	17.6
123.11689	7.7
125.09605	9.5
125.13210	2.3
129.09073	2.9
135.11673	14.2
137.13264	3.0
139.11150	9.7
139.14824	1.3
143.10638	1.8
149.13226	8.8
151.14841	1.6
153.12721	6.0
157.12181	1.6
163.14819	7.5
167.14288	4.6
171.13802	2.1
177.16360	3.9
181.15860	4.6
191.17912	3.5
195.17453	3.6
205.19518	3.2
209.19026	3.3
219.21054	2.9
223.20520	2.1
231.48318	1.1
249.10080	1.1
251.23778	1.3
275.27264	8.4
293.28348	17.1
329.14139	1.1
367.32056	18.6
385.09244	2.0
385.33078	100.0
386.33322	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	386.1594
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.03468	0.8
55.01842	0.4
55.04241	0.4
58.06597	0.5
68.99776	1.3
70.06585	100.0
71.00815	0.8
71.06921	0.9
81.07040	0.7
82.65823	0.4
85.02910	0.5
86.14794	0.3
91.05476	1.2
93.07063	0.6
95.04950	0.4
103.05455	0.8
107.04939	1.1
117.03349	0.5
119.04905	1.9
121.02876	0.6
121.06509	2.9
123.04414	12.5
131.04935	0.5
135.04388	2.2
137.06041	0.7
147.04398	7.8
149.05969	5.8
152.02986	0.4
155.58849	0.4
159.04408	0.6
161.05934	0.7
163.03906	1.8
163.09418	0.4
165.05461	3.8
175.07526	0.9
177.05452	59.5
178.05771	1.1
188.07091	0.4
195.02841	0.4
207.06482	0.8
213.25151	0.4
224.09351	0.4
234.11201	3.6
311.09302	0.5
329.10150	11.6
386.15927	40.0
387.16507	2.2
387.20645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
55.05483	2.5
56.96547	2.6
57.03423	14.6
61.02929	11.2
65.03925	2.3
67.05487	3.4
69.03423	25.7
69.72950	15.9
70.06568	3.5
71.04980	3.7
73.02910	17.6
74.60131	2.0
81.03400	4.4
83.04987	4.0
85.02895	100.0
87.04448	6.0
91.03959	4.0
95.04946	21.7
97.02873	36.6
98.08638	2.2
99.04431	7.5
103.03898	2.8
107.04958	4.9
107.08589	2.6
109.02867	7.7
115.03912	11.1
117.90853	2.2
119.04987	3.4
120.08097	2.5
121.57588	3.1
123.04401	7.8
127.03886	23.8
133.04956	23.3
135.04379	5.6
139.03888	5.0
145.04944	50.2
147.04379	7.3
150.07681	3.6
153.09082	5.5
161.06071	3.1
163.03923	13.0
163.06003	26.3
164.22183	2.2
165.05513	4.1
167.07019	16.7
224.09393	2.9
225.14684	2.6
235.76967	2.4
241.07074	2.8
259.08081	2.6
278.80002	2.4
386.14343	2.9
387.16321	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	386.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01866	6.8
57.03433	13.8
59.04979	2.2
61.02918	8.9
65.03925	5.0
67.05502	4.5
69.03423	23.1
69.63620	9.3
71.01353	2.3
71.04979	2.7
73.02908	15.2
79.05479	2.4
81.03402	6.9
83.04971	7.8
85.02897	100.0
87.04455	3.2
89.03917	2.4
91.03932	4.2
93.03395	3.1
94.04183	3.8
95.04946	4.1
97.02877	31.1
98.21472	2.9
99.04467	3.8
99.65511	1.6
103.03938	1.8
107.04962	3.8
107.08596	1.8
109.02862	9.2
110.06038	1.6
111.04419	10.8
113.00973	1.6
114.55204	1.5
115.03905	12.4
117.03369	3.8
120.04534	1.9
121.02867	5.9
123.04414	4.4
125.02332	1.7
127.03901	31.3
129.05472	3.7
132.04442	3.1
132.06570	2.4
133.02757	1.9
133.04953	17.4
134.03653	2.1
135.04411	10.1
137.02364	3.9
138.03076	3.2
138.05525	3.8
138.94836	1.6
138.96063	1.6
139.03899	6.7
145.02859	5.2
145.04933	60.6
147.04291	2.9
148.03879	8.7
149.02319	7.7
150.03107	4.5
150.05515	3.7
151.03860	3.7
152.03366	2.3
157.04973	1.6
161.08040	1.8
163.03900	60.3
163.05952	23.9
164.04288	2.4
165.05383	2.8
166.04929	10.5
167.03384	5.1
167.07037	11.5
176.03442	6.8
177.01857	4.4
177.64505	1.8
182.35249	1.5
188.57794	1.7
194.04433	9.1
195.02859	11.8
212.05562	3.9
213.03888	3.5
214.81110	2.4
224.09088	2.6
237.13383	5.7
240.04985	6.2
259.08163	2.4
363.28305	1.9
368.10196	2.7
386.10281	3.2
386.14709	3.7
387.16031	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	387.1281
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.03932	0.4
53.86135	0.2
55.01851	0.3
55.05505	0.2
56.05030	0.2
56.71836	0.2
61.02917	0.3
67.05498	0.5
69.03411	1.0
70.06577	0.3
70.09260	1.0
71.04951	0.2
72.08144	0.4
73.02904	0.3
77.02823	0.2
78.04699	1.6
79.05489	1.3
81.03410	0.5
81.07045	0.7
83.04960	0.3
85.02890	2.5
86.09667	0.7
91.05470	1.3
93.07027	0.8
95.01324	1.4
95.04948	1.3
97.02863	0.6
97.06522	0.3
99.04425	0.7
103.05438	0.7
105.03345	0.3
105.07005	1.9
106.04163	1.2
107.04943	1.6
107.08574	0.4
109.06515	0.3
111.04454	0.3
119.08556	0.5
121.06491	1.6
121.10147	0.5
122.03703	0.2
123.04408	5.0
123.08046	0.9
124.05202	2.0
125.05995	0.4
127.03899	0.5
133.06468	1.0
133.10129	0.4
134.03616	0.4
135.04433	0.4
135.07950	0.2
137.05959	0.8
137.56348	0.2
141.01752	0.4
145.04912	0.5
147.04411	0.4
149.05922	1.7
151.03889	1.1
151.07521	1.6
152.04692	1.5
161.05933	1.1
161.09492	0.3
163.03922	0.7
163.11183	1.1
166.06264	0.4
167.07021	100.0
168.07372	1.6
177.04018	0.4
179.07068	0.6
181.08540	1.2
181.12199	0.3
189.09102	0.2
189.12695	0.5
193.08565	3.0
203.86649	0.2
207.13766	2.6
211.09634	2.9
225.07330	4.3
225.10754	1.3
225.14696	0.5
231.09904	0.3
387.12045	0.4
387.16702	1.3
387.20343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03932	0.5
55.01859	0.7
65.03931	2.0
66.04694	0.3
67.05479	0.9
69.03402	0.5
70.27061	0.3
71.17071	0.6
72.16665	0.2
79.05492	1.4
81.03396	0.4
81.07037	0.7
82.04190	0.5
85.02890	1.4
91.05486	1.6
93.03416	0.3
94.04177	3.2
95.04957	1.4
97.02860	0.3
97.06543	0.7
98.97552	0.2
100.61136	0.3
102.72012	0.3
103.05457	2.9
105.03432	0.3
105.07000	0.7
107.04948	1.6
107.08596	0.3
108.02094	0.6
109.06520	0.9
110.03650	0.9
111.04418	0.8
115.05436	2.1
117.06999	1.6
118.04167	0.4
119.04924	0.4
121.06519	0.3
121.10127	0.3
122.03633	8.3
123.04459	0.7
124.05244	0.4
125.05986	0.5
129.06914	0.4
130.04140	0.3
131.04907	2.7
131.08578	0.3
133.02844	0.4
133.06471	0.6
137.05959	100.0
138.03113	0.5
138.06325	1.7
139.03885	0.4
142.02596	0.3
143.04895	2.7
145.06448	2.6
147.04416	0.5
147.08051	0.3
147.63889	0.3
148.05153	1.2
151.03906	8.5
151.05037	0.6
151.07552	0.5
153.05441	0.6
155.06007	0.6
160.05145	0.3
161.05965	0.8
161.09546	0.3
163.03894	0.3
163.07501	2.6
165.05476	0.5
167.05609	0.5
167.07019	10.0
171.06560	1.1
173.05998	3.3
174.06403	0.3
175.07539	1.1
177.05453	0.3
181.04935	22.8
187.07516	0.5
189.05376	0.4
191.07008	9.0
193.08597	0.3
195.06529	0.3
203.06972	1.7
205.08586	2.4
209.08051	0.3
217.08559	0.4
221.07921	0.3
233.08055	1.1
235.09625	2.2
248.08411	0.3
269.08466	0.3
277.08664	0.3
295.09949	0.3
309.11124	0.3
313.03369	0.3
341.14087	0.4
351.12177	0.8
355.11801	0.6
357.13275	12.2
369.13248	0.9
387.14349	25.3
388.14755	1.2
412.73853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.09875	0.4
55.01866	0.8
62.52720	0.4
65.03925	1.6
67.05492	1.4
68.75964	0.4
69.03413	0.6
69.07054	0.7
69.78522	2.5
73.69147	0.4
79.05481	2.7
81.07040	1.7
82.04201	0.4
85.02907	0.9
89.03933	0.4
89.81520	0.4
91.05471	2.8
92.64431	0.3
93.07040	1.2
94.04176	2.7
95.04951	1.3
95.08601	0.7
97.06524	1.2
103.05463	3.1
105.03374	0.6
105.07026	2.1
106.04157	1.7
107.04980	2.3
108.02085	0.5
109.06505	0.6
110.03648	0.6
111.04401	0.5
115.05469	2.3
117.03428	0.4
117.07017	1.7
118.04115	0.6
119.04897	0.4
121.06475	1.6
122.03632	7.4
123.04406	1.4
124.05212	0.5
125.05965	0.6
131.04915	2.7
132.05658	0.7
133.06487	2.1
135.04402	0.7
135.08035	0.8
137.05966	100.0
138.03244	0.5
138.06317	1.7
139.03902	1.1
141.05453	0.4
142.02640	0.5
143.04916	2.5
145.06464	2.2
145.10135	0.4
147.04376	0.8
148.05185	0.8
149.05997	3.1
151.03906	5.3
151.07516	0.8
155.06009	0.8
159.04410	0.5
159.28876	0.4
160.05174	0.4
161.05978	2.8
163.03819	0.4
163.07541	2.0
164.07841	0.4
165.05478	0.9
165.09084	0.4
167.07030	12.2
170.44792	0.4
171.06506	0.8
173.05978	2.7
173.09576	0.7
175.07545	1.5
177.05464	3.1
179.06995	0.7
181.04941	20.2
181.08456	2.1
182.05354	0.4
187.07613	0.6
189.12708	0.4
191.06981	6.1
192.07726	0.9
193.08592	1.2
193.10335	0.4
201.09061	1.0
203.07054	1.7
205.08629	1.8
207.06496	0.5
219.10091	0.7
233.08087	1.2
233.11688	1.0
235.09674	1.8
249.08951	0.5
307.09747	0.6
337.10605	0.4
351.12216	1.2
357.13254	10.8
357.17441	0.6
358.13708	0.5
369.12994	0.8
369.17029	0.8
387.14368	22.9
388.14771	1.6
409.28601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
56.96561	1.8
61.02915	0.8
65.03936	1.3
67.05489	1.8
69.03417	2.2
70.06601	0.9
70.72943	2.6
75.01060	0.7
77.74428	0.8
79.05479	2.0
81.03416	1.1
81.07055	2.2
85.02906	5.0
86.09754	0.8
91.05476	2.6
93.07040	1.4
94.04188	2.3
95.04991	0.8
95.08588	1.8
97.02893	2.0
100.51508	0.6
105.07057	2.4
107.04938	1.1
107.08592	2.7
109.06475	0.8
109.10209	0.8
115.05463	1.3
117.07042	1.9
119.08597	2.8
121.06500	1.2
121.10176	2.3
122.03645	7.2
123.04436	1.0
123.08086	1.8
123.11739	1.1
125.06005	1.0
127.03902	0.9
131.08606	1.0
133.10156	2.2
135.08075	0.8
137.05963	64.8
138.06337	1.7
139.03883	6.4
143.04956	2.0
145.06511	1.7
147.11639	0.9
149.09621	2.1
151.03912	7.2
151.07524	1.2
151.11221	1.0
157.97734	0.8
159.08057	1.0
161.13251	1.3
163.03961	3.0
163.11191	1.5
165.12694	1.0
167.07008	6.9
173.06036	2.0
177.05479	0.9
179.14294	1.0
181.04944	10.5
185.04388	0.8
189.12842	1.4
190.95445	1.0
203.05312	6.5
203.07043	1.8
205.08607	1.2
207.13779	9.0
219.10294	2.4
225.10901	9.6
225.14859	1.5
232.43636	0.8
235.09761	1.7
259.03250	0.8
267.06943	1.0
307.12311	1.6
328.59753	0.9
349.44452	0.7
357.13284	8.2
387.16284	100.0
388.16629	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1797
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02391	0.8
53.03954	1.0
55.01887	1.5
61.02950	0.8
65.03951	1.1
67.05525	2.0
69.03444	2.0
69.63222	0.5
71.04970	0.9
71.54086	0.8
71.54464	0.5
77.03930	0.6
78.04691	3.1
79.05477	12.5
81.03418	0.9
81.07051	3.1
85.02882	5.4
91.05466	10.1
91.05984	0.7
93.07025	4.2
94.04189	0.7
95.04948	3.8
95.08627	2.1
96.05744	0.7
97.02917	1.8
97.06533	0.8
103.05449	26.7
104.06308	0.8
105.04501	1.2
105.07013	30.3
106.04192	2.0
106.07386	0.7
107.04935	22.4
107.08587	1.8
108.05757	1.4
109.02836	0.9
109.06506	3.8
109.10191	0.8
111.04454	0.7
115.05437	9.4
117.07006	5.3
118.04176	2.0
119.04915	4.9
119.08582	0.7
120.05737	0.9
121.06477	10.5
121.10152	1.1
122.03653	2.7
123.04403	6.8
123.08042	5.6
123.11700	1.2
124.05188	4.6
125.05959	2.5
127.03927	0.9
128.06227	1.4
129.06963	2.8
130.04152	0.5
131.04901	30.3
131.08566	1.7
132.05685	1.7
133.06470	28.5
133.10130	1.0
133.75717	0.5
134.03587	0.5
134.06830	0.5
135.04413	1.1
135.08028	5.2
135.11710	0.6
136.05183	2.0
137.05951	21.7
137.09560	0.6
138.06497	0.9
138.81467	0.5
139.03874	2.1
139.07576	1.2
141.06985	1.7
143.04893	2.9
143.06042	1.7
143.08549	1.0
144.05681	2.0
145.04976	1.6
145.06462	11.7
145.10117	0.9
146.07135	0.4
147.04390	6.6
147.08037	1.4
147.11690	0.6
148.05287	0.7
149.05942	5.2
149.09595	0.9
151.03938	2.6
151.07516	27.0
152.04659	3.9
153.05437	1.8
155.06013	1.3
156.05655	2.9
157.06425	2.7
158.07249	1.1
158.36855	0.5
159.04350	0.7
159.08052	1.7
160.05170	2.5
161.05960	30.5
161.09570	1.2
162.06453	1.0
163.07512	59.2
163.11205	2.6
164.07918	1.4
165.09088	2.2
165.12711	1.3
166.06230	1.7
167.07010	100.0
168.05931	0.4
168.07349	2.3
169.06448	1.0
171.08130	0.7
172.05162	2.2
173.05965	8.6
174.06708	1.3
175.07506	6.3
177.05489	0.9
177.09065	8.1
178.06151	1.5
178.07710	0.6
179.07007	9.5
181.04955	1.6
181.08568	23.7
181.12178	1.0
182.08899	1.0
184.05165	0.5
186.06775	0.6
187.07518	10.8
189.05388	0.5
189.09081	4.8
189.12753	0.9
190.08585	1.1
191.07036	1.0
191.08836	1.6
192.07724	1.3
192.09297	0.7
193.08574	66.7
194.08798	2.3
195.08070	0.7
195.10120	0.6
195.73676	0.6
199.07426	1.1
201.09058	2.6
202.06107	1.2
202.07793	1.5
203.06929	1.0
203.08501	5.0
205.06593	0.8
205.08501	7.0
205.10207	1.1
207.08119	0.5
207.10117	1.1
207.13766	6.5
217.08505	7.1
217.10272	0.7
218.07202	0.7
218.09090	0.9
219.07991	1.9
219.10095	3.2
220.08809	2.8
221.09586	0.8
225.14764	2.1
231.08034	4.6
231.10109	0.9
232.08638	1.2
233.09698	0.9
233.11655	2.5
234.10205	0.6
234.98862	0.9
235.07489	0.8
235.11075	1.6
235.61102	0.5
237.09109	1.1
245.09494	1.5
247.07462	1.4
248.08263	3.6
249.08998	1.7
251.06927	0.5
259.07474	1.9
260.08200	1.0
261.09058	0.7
262.09750	0.8
263.10602	5.3
265.08502	1.2
266.08963	0.8
267.09976	1.0
273.09073	1.1
276.07635	1.2
277.08560	0.7
277.12103	0.5
280.10794	1.7
281.11536	1.5
291.10065	5.8
292.10550	0.8
293.08163	0.6
294.08475	0.6
295.09879	1.0
295.13126	5.7
296.13647	0.7
305.11612	1.6
308.10199	1.0
311.08734	0.6
313.14249	1.4
323.12720	13.0
324.13028	1.4
325.14273	0.6
327.15677	0.7
337.14056	1.4
339.15961	0.5
355.15338	32.3
356.15494	2.1
357.13229	0.7
369.12878	0.9
372.15244	1.4
387.10114	1.0
387.17929	17.6
388.18237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03941	0.8
55.01839	0.4
55.05506	5.8
56.96554	0.4
57.03413	1.4
61.02915	1.8
61.58601	0.4
65.03920	1.5
67.05495	2.4
69.03419	4.9
69.07043	0.5
69.34973	4.2
71.04978	3.3
73.02905	1.0
79.05467	0.8
81.03393	2.2
81.07030	1.1
83.04967	8.7
83.08620	1.0
85.02895	11.0
87.04459	1.1
91.01585	0.5
91.05499	0.8
93.07025	0.7
95.04956	100.0
96.05296	1.3
97.02885	4.7
97.06531	0.6
99.04443	17.2
100.11241	7.5
105.07031	0.9
107.08583	1.7
109.02863	1.6
109.06518	1.5
109.10138	2.3
111.04444	1.1
111.08076	0.6
112.90890	0.5
115.03884	0.8
119.08601	1.0
121.02872	0.7
121.10127	0.7
123.04445	2.8
123.08055	2.0
125.09628	2.0
127.03910	3.1
133.04935	0.6
135.04417	0.8
135.08047	2.1
137.05978	1.3
139.03873	0.7
143.08594	0.5
144.08063	11.7
145.04976	2.2
146.05225	0.4
147.04424	1.0
147.11630	0.6
149.09624	1.4
150.03185	0.5
151.03876	0.7
151.07584	1.0
153.09085	25.2
161.09508	0.5
161.10738	1.4
163.03877	2.4
165.05490	0.5
167.07011	8.1
169.08719	0.5
189.12790	0.7
195.02766	0.5
207.13812	3.5
209.16536	1.3
225.07469	0.8
225.14832	10.1
227.17513	7.5
290.02094	0.4
371.21658	0.5
387.11749	0.7
387.15833	2.4
387.20172	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	387.2007
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
57.03433	5.3
61.02911	4.9
67.05487	8.4
69.03413	31.4
70.06573	14.1
70.37667	7.7
70.38050	7.1
71.04958	6.3
81.03419	11.6
81.07047	17.5
85.02895	100.0
85.03408	6.3
91.05465	9.6
92.32629	3.6
93.07031	12.3
95.08602	32.6
97.02883	16.4
98.20773	4.1
99.04449	9.5
105.07016	14.8
107.08571	8.7
109.02863	7.2
109.10153	25.6
111.04452	5.6
119.08544	13.4
121.10142	10.2
123.08060	17.6
123.11699	77.4
125.05970	14.4
127.03896	14.8
131.08514	4.2
133.06461	4.5
135.11687	5.7
137.06001	10.7
139.07562	6.3
144.42790	4.2
145.04971	5.9
145.10123	9.0
147.07973	6.1
147.11664	13.7
149.05956	4.8
149.09596	17.8
151.07529	21.4
161.13271	5.1
163.11136	11.6
167.07019	9.3
177.05534	5.9
179.14282	5.1
181.12280	4.9
181.63095	4.4
189.12735	17.4
207.13791	88.8
225.11005	4.9
225.14818	41.4
225.16675	5.7
296.91928	4.1
318.85095	3.9
332.02435	4.3
333.16904	15.7
351.18008	33.3
369.18985	10.7
387.15848	9.7
387.20074	26.6
387.90204	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	387.2005
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03939	4.0
55.01862	3.3
57.03433	5.9
61.02916	4.2
65.03925	2.3
67.05492	5.1
69.03422	19.2
69.07055	3.6
71.04990	4.6
71.52161	2.8
71.52501	1.9
73.02888	2.8
79.05493	5.7
80.86591	1.8
81.03406	5.8
81.07054	8.1
83.04964	5.5
85.02898	42.9
85.06532	2.6
87.04459	4.6
91.03930	2.4
91.05479	7.3
93.07026	9.7
94.03400	2.0
94.04163	4.3
95.04966	4.7
95.08597	8.1
97.02880	16.7
97.06546	4.1
99.04424	2.5
99.08129	1.8
105.07018	16.7
107.04949	4.3
107.08580	8.1
109.02881	5.3
109.06514	6.2
109.10149	3.2
115.05492	3.1
117.07034	5.1
119.08559	15.4
121.06490	6.0
121.10138	6.2
122.03629	7.5
123.08053	58.0
125.06004	5.8
127.03904	11.4
131.04860	2.3
131.08614	2.3
133.06378	2.2
133.10104	4.5
135.04462	2.3
135.08032	4.6
135.11714	4.4
137.02336	2.9
137.05966	100.0
137.09616	3.5
139.03783	2.3
143.04895	2.2
145.04948	14.4
145.06526	2.5
145.10150	5.9
147.11670	28.9
149.09610	5.2
151.03871	6.7
151.07526	42.6
151.11189	3.4
153.01909	2.4
159.11743	2.3
161.13281	2.0
163.03899	2.3
163.11165	21.2
165.09070	2.7
165.12743	17.9
167.07018	14.4
173.05949	2.3
179.10635	3.0
181.04929	14.0
181.12207	14.4
189.12735	10.5
203.07056	3.2
207.13783	59.9
208.14000	2.0
209.15358	4.1
225.14835	18.3
226.45424	2.1
235.09673	3.4
265.92038	1.9
303.05042	2.6
313.03345	3.0
315.04950	7.2
326.06778	2.4
344.07565	2.5
357.13293	11.4
387.14392	24.0
387.20078	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	387.2006
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03930	4.6
57.03420	5.3
61.02924	4.6
67.05496	9.9
69.03421	32.5
71.04513	4.0
71.04877	7.5
79.05471	7.4
81.03413	15.0
81.07035	11.9
83.04967	4.9
85.02898	100.0
87.04466	7.1
91.05461	13.3
93.07013	10.0
95.04946	5.6
95.08602	57.0
97.02880	15.8
99.04459	5.7
103.05484	3.9
105.07019	17.8
107.08563	9.4
109.02905	5.6
109.06530	6.3
109.10154	14.4
119.08585	42.4
121.10124	18.3
123.08060	29.0
123.11691	41.7
125.05984	27.0
127.03887	10.2
131.08530	9.3
133.06444	7.7
133.10124	22.5
135.11681	49.3
137.05984	13.8
137.09595	10.6
137.13211	4.7
139.03894	9.2
139.07576	8.7
145.04922	7.0
145.10112	6.0
147.07979	7.7
147.11685	31.0
149.09610	33.8
151.03893	7.5
151.07507	22.9
156.09323	5.5
161.13235	72.6
163.11133	9.6
167.07011	4.9
171.11656	7.1
174.10400	4.0
177.20129	3.7
181.04883	5.0
181.12227	4.7
189.12726	70.2
189.66095	3.8
195.85779	4.0
207.13788	89.1
219.10202	9.0
225.12732	3.1
225.14821	61.3
351.17911	5.2
387.15155	6.9
387.20010	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01857	1.6
55.05505	3.9
56.95385	0.7
67.05497	8.0
69.03421	1.5
69.07051	3.4
69.32030	6.3
79.05479	3.2
81.07037	9.3
83.04974	1.0
83.08574	0.7
91.05465	9.3
93.07030	9.1
94.26506	0.8
95.04958	3.5
95.08591	11.9
97.06507	2.3
97.10152	0.7
105.07019	9.9
107.08580	8.0
109.06492	2.1
109.10120	4.6
111.08054	2.2
115.05408	2.3
116.06182	1.0
117.07007	3.6
119.08558	10.7
121.06463	5.3
121.10123	5.2
123.08085	4.2
123.11676	2.1
125.09572	2.1
128.06227	3.5
129.06955	3.2
130.07797	1.0
131.08549	8.3
133.06482	0.9
133.10110	4.4
135.08018	6.8
135.11655	2.3
137.09599	1.0
139.11134	0.7
139.58711	0.7
141.06938	3.6
142.07773	2.6
143.04887	1.0
143.08539	8.8
144.09297	1.4
145.06444	2.7
145.10100	14.0
146.07190	1.5
147.08000	3.4
147.11668	2.2
149.09586	2.1
152.06259	1.1
153.07008	1.2
155.08527	6.4
156.09279	1.9
157.06458	6.9
157.10133	7.4
158.07126	1.4
159.08026	29.3
159.11693	6.2
160.08646	1.4
161.09575	5.2
161.13243	0.9
163.11111	1.2
163.14792	3.9
165.06958	2.5
166.07742	2.1
167.08534	5.9
168.05728	1.0
169.06421	1.0
169.10104	4.0
171.08020	25.7
171.11719	4.5
172.08539	0.9
173.09601	11.1
173.13187	3.6
175.11070	1.6
178.07739	1.4
179.08562	4.6
180.09308	1.0
181.06340	2.3
181.10063	4.8
182.07271	1.3
183.08006	7.4
183.11658	2.9
184.08846	0.8
185.09601	9.1
185.13184	2.1
187.11165	6.7
187.14709	0.9
189.12749	2.1
191.08528	1.9
191.14311	0.8
192.09323	2.7
193.08432	1.0
193.10036	5.1
194.07259	1.1
195.08043	5.6
195.09689	0.9
195.11633	4.1
197.09581	8.4
197.13187	2.7
198.10188	1.1
199.11183	3.3
199.14751	1.4
200.11961	1.5
201.12700	3.1
202.07564	1.0
203.08493	3.0
203.14357	1.1
204.09238	1.7
205.10106	4.4
206.10866	2.1
207.08017	3.8
207.11673	6.0
208.08792	3.3
209.09560	7.4
209.13234	2.6
211.11166	3.5
213.12672	4.4
215.08636	1.2
215.14259	5.1
216.09335	1.5
217.10141	3.1
218.10803	2.5
219.08055	1.7
219.11636	5.2
220.08865	0.9
220.12308	1.6
221.09578	6.7
221.13132	4.0
222.10295	1.5
223.11125	10.0
223.14705	1.1
225.12715	3.0
227.14227	1.5
229.10080	1.9
229.12213	1.0
229.15775	1.2
230.10789	2.3
231.08138	1.6
231.11703	5.0
232.08821	1.8
232.12471	3.4
233.09596	4.4
233.13210	5.8
234.10345	2.1
234.13739	0.9
235.11211	5.4
235.14862	2.5
236.11731	1.0
237.12758	4.1
239.14261	1.2
241.10008	1.0
243.11682	2.5
244.12399	1.4
245.09598	1.4
245.13264	5.4
246.10478	1.7
246.13914	2.5
247.11172	6.4
247.14815	7.5
248.11897	3.4
248.15166	1.2
249.12671	7.0
249.16333	1.8
250.13403	0.9
251.10587	1.8
251.14301	3.2
255.11629	1.8
256.12479	1.2
257.13266	2.1
258.13959	1.2
259.11234	2.4
259.14752	2.8
260.11914	1.2
261.12723	8.2
261.16336	2.6
262.13364	1.5
263.14310	12.0
264.14749	1.1
265.12241	1.5
265.15747	2.5
267.17572	1.0
269.13187	1.2
271.14728	2.2
272.15469	0.9
273.12875	1.6
273.16284	3.9
274.13528	0.9
274.17508	0.8
275.14246	3.8
275.17926	2.2
277.12396	1.4
277.15805	3.8
279.17499	0.9
283.14865	1.9
284.15479	0.8
285.12695	1.7
285.16241	2.1
287.14297	1.8
287.17773	1.6
288.15182	1.1
288.18668	2.6
289.12839	1.2
289.15930	4.4
289.19128	1.0
291.14139	1.4
291.17340	9.3
299.14374	1.4
299.17804	1.3
301.15765	1.4
303.13919	1.4
303.17334	4.9
304.17932	0.9
305.18866	2.0
313.15753	1.7
313.19229	1.5
317.15543	0.8
317.18948	1.5
327.17404	1.5
329.18973	5.3
331.16953	1.3
331.20493	5.0
339.17383	1.0
341.22556	2.1
345.22174	1.5
351.20984	1.0
359.19907	4.8
359.23621	9.9
369.22037	11.7
387.23083	100.0
388.23502	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	388.1052
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
53.03926	0.8
59.01403	0.6
64.41117	0.5
65.03931	0.9
67.26202	0.6
69.78596	1.7
69.79002	1.5
73.46268	0.6
73.92658	0.5
75.70856	0.5
79.05479	1.5
82.44090	0.6
91.04213	0.5
91.05483	3.6
92.04955	0.6
92.13898	0.5
94.04224	0.6
95.04960	0.6
98.21514	0.9
104.04986	10.1
105.05766	19.4
106.02896	0.5
106.06581	3.4
107.07322	1.4
109.06487	1.2
116.04996	1.3
117.05742	2.2
118.06537	5.3
119.03680	10.5
119.07330	0.6
120.04459	11.8
121.06470	4.2
123.06815	4.7
130.02858	1.7
130.06541	0.6
132.04436	20.3
133.05223	34.6
134.02357	1.2
134.06023	10.8
138.01025	0.9
139.00516	0.9
146.06003	4.1
148.03906	2.0
149.04713	42.1
150.05002	0.8
151.06235	0.6
162.05489	21.6
163.06273	100.0
164.07053	47.7
165.07449	0.9
166.08679	0.8
174.05502	1.5
179.05771	1.2
191.08147	0.8
193.01689	0.6
194.08110	42.3
195.08508	1.1
218.08424	1.6
243.07884	1.0
253.05289	2.7
260.68530	0.7
261.08972	2.2
296.05847	16.6
324.05316	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	388.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01623	1.4
55.05474	2.9
56.05032	3.8
56.28275	1.6
65.03930	3.8
67.01867	1.9
67.05491	4.0
68.99789	2.3
69.03414	6.4
71.52165	1.8
71.52594	3.6
77.03924	2.1
83.04966	18.9
85.02875	8.0
89.03903	4.0
92.41237	1.7
93.03377	7.7
95.04967	8.4
95.20512	1.7
97.02905	1.7
107.04951	3.5
109.02851	1.8
111.04427	24.9
112.04747	1.7
117.03374	3.9
121.02872	4.5
122.06026	3.0
123.04420	30.6
129.05466	10.9
132.04413	4.3
133.02838	11.3
135.04413	16.1
136.05156	4.0
137.02325	20.5
139.03886	22.0
145.02847	11.2
149.02344	2.0
149.05954	2.1
150.03026	3.9
150.05508	10.0
151.03923	12.5
151.06233	2.9
152.07036	5.6
157.04922	8.2
161.02269	4.9
163.03888	100.0
164.04222	4.8
164.07181	1.9
167.07079	2.1
168.03777	2.3
168.06497	14.0
175.05984	3.8
177.05432	5.3
178.02428	2.6
178.04915	15.5
179.03383	29.0
181.04848	2.3
193.07204	1.8
196.03223	2.7
196.06026	3.4
197.04352	7.6
209.13834	4.1
214.07054	2.7
312.56854	1.8
353.08389	8.4
388.11826	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
53.29506	2.9
56.05022	3.2
57.03415	3.5
58.99585	4.2
60.04522	4.9
61.02918	8.7
62.18576	3.2
68.05010	5.0
69.03418	18.3
70.06584	11.4
70.47809	3.8
71.52471	4.2
79.05495	23.8
81.03410	5.5
81.07041	29.7
82.06565	4.5
84.04495	27.1
85.02896	51.0
87.04457	3.4
91.03976	3.3
91.05473	7.8
93.07041	6.9
94.06549	12.0
95.04961	41.5
97.02881	13.2
98.66808	3.1
98.97578	3.5
103.05458	13.6
105.03432	4.1
105.07017	7.3
107.04944	76.2
107.05618	5.4
109.02895	6.8
114.05544	16.5
116.01670	12.6
116.98636	3.9
117.07025	4.3
119.04922	4.7
120.08102	47.0
121.06471	14.1
122.06005	7.2
123.04420	100.0
127.03881	7.3
130.04987	10.9
130.06535	9.4
131.04915	26.3
134.69252	3.8
142.03233	7.8
142.04944	20.7
144.01138	4.7
144.08112	17.6
145.04962	9.8
145.06441	5.4
146.06035	3.9
146.09627	54.6
147.04405	12.2
147.08130	4.3
148.07556	94.1
149.05969	27.0
155.04941	3.3
159.66075	3.5
162.02136	7.4
162.09128	6.5
164.07036	7.9
165.05498	18.5
168.06529	7.6
172.07526	5.2
173.06010	4.0
180.84155	3.6
190.08595	39.0
191.07005	38.6
207.13922	4.5
208.09648	91.8
209.08099	4.1
209.67941	3.5
210.11258	50.5
215.04816	7.1
226.10728	22.4
265.09589	4.6
279.07709	5.4
293.09167	9.0
297.08771	6.3
313.12332	4.8
321.08438	4.4
327.83643	3.3
339.09818	7.3
370.14761	6.4
371.12558	5.9
371.47748	3.8
388.15656	30.3
389.13126	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	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34470	7.5
55.05501	14.9
65.03925	10.0
67.01867	8.7
67.05493	18.7
69.03412	41.3
69.07054	9.6
70.79610	25.7
73.88978	6.7
79.05484	13.5
81.07050	16.3
85.02883	23.6
91.05484	36.3
93.07042	18.3
95.04955	19.1
95.08597	19.0
97.06500	7.9
103.05444	22.0
105.07043	16.8
106.07325	9.1
107.04925	20.5
107.08602	17.7
109.10184	11.6
112.68257	7.6
119.04948	9.5
119.08544	9.1
120.53117	6.9
121.06519	8.0
121.10175	7.8
121.11545	9.1
123.04372	10.1
123.08018	8.2
123.11662	7.8
125.09628	18.4
129.07008	10.4
131.04926	35.3
131.08517	11.2
133.10127	9.4
135.08038	13.1
135.11667	9.8
137.05980	63.5
138.06264	22.8
139.03864	34.0
140.04234	20.5
143.08591	8.6
145.10100	12.3
151.03870	13.2
163.07547	23.0
167.06985	21.1
168.07402	13.1
173.13214	20.4
175.07494	64.0
177.05452	12.2
181.04900	24.8
182.05275	11.5
183.06480	16.8
189.09001	16.9
189.27983	8.4
191.14304	64.7
207.06473	20.0
209.15337	100.0
219.10164	46.5
235.51215	8.0
277.08673	8.1
354.01443	7.9
388.10284	10.0
388.14798	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	389.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57980	3.0
56.96552	7.5
57.03429	3.2
59.12262	2.3
61.02925	3.6
62.12676	2.5
65.03921	2.9
67.05499	3.0
69.03419	6.1
69.24406	9.3
69.24824	19.3
70.06577	2.8
73.02899	3.8
81.03407	3.0
83.04987	3.2
84.08129	3.8
84.31463	2.7
85.02901	12.9
89.03899	4.0
89.37720	2.5
93.04306	2.3
93.58923	2.6
95.04967	5.3
97.02854	5.8
98.97585	4.5
111.04395	2.7
117.03368	4.8
119.01920	6.5
121.02859	15.5
128.04752	2.7
129.05518	2.6
131.01935	3.5
131.10481	2.5
135.04410	9.8
143.00168	4.0
143.01877	3.2
145.03574	16.7
145.04454	2.5
146.99554	3.7
158.75562	2.4
159.05162	3.2
161.01132	3.7
161.02937	3.5
163.03873	42.4
164.04276	3.6
169.03500	12.8
171.05104	7.4
173.02975	5.2
187.04510	7.5
189.00691	3.7
197.02919	21.6
198.98557	4.1
215.04048	12.1
222.94633	2.6
227.03157	95.3
227.06721	4.2
233.05086	4.1
239.04097	4.3
244.99689	2.9
245.03081	2.8
247.04555	7.9
263.04236	3.7
265.05664	5.6
275.06165	3.7
283.06458	12.6
285.04932	2.7
287.03845	2.5
293.04855	3.1
301.04593	2.9
301.07648	13.8
303.05557	3.0
309.04962	3.2
311.06067	4.2
327.05893	2.7
329.07303	4.3
363.00745	2.4
371.07974	6.8
383.57712	2.7
389.08557	100.0
407.10699	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01864	1.9
55.05493	4.9
56.96559	29.1
57.03429	2.3
58.99842	1.8
61.02927	2.4
65.03932	10.5
67.05495	4.4
68.86382	1.1
69.03426	6.5
71.52519	1.6
73.02903	4.4
77.00877	2.4
79.05482	4.1
81.03399	4.4
81.07030	1.2
83.04967	9.8
84.96041	3.4
85.02892	11.0
85.08955	1.0
86.99323	2.1
89.03918	6.7
90.04324	1.3
91.05479	1.3
93.03390	19.8
95.01937	1.2
95.04958	15.2
97.02898	4.8
98.97562	10.0
99.04461	1.0
101.00867	2.0
102.97129	1.3
105.00362	3.0
107.03454	1.8
107.04948	3.3
110.97538	2.2
111.04426	7.0
113.00886	1.2
115.02443	2.1
116.98604	6.3
117.03336	5.4
119.01856	6.3
121.02850	62.9
122.03191	1.2
124.03577	1.4
124.99110	1.6
125.04469	5.8
127.02451	3.7
127.03883	2.7
128.98616	4.7
129.03999	1.4
130.12282	1.0
131.01912	5.1
133.03453	3.4
134.99651	2.3
135.04362	9.1
137.02948	2.1
139.02390	2.9
139.03882	5.6
140.02316	1.2
140.98662	1.5
141.03993	3.7
143.00148	6.3
144.98161	1.6
145.01796	2.3
145.03549	24.5
145.04744	1.5
145.05173	1.5
146.99657	3.2
147.04996	2.6
149.02954	1.9
151.00751	1.1
151.02493	3.6
152.02254	1.1
153.03957	12.4
155.00195	1.5
155.01895	3.0
156.98074	1.2
157.03427	6.3
158.99666	4.2
159.05037	4.9
160.99812	1.5
161.01195	10.5
161.02945	2.6
163.03836	50.9
164.04160	5.2
165.00745	1.5
167.01869	2.1
167.05608	1.4
169.01970	2.2
169.03442	35.2
170.03616	2.1
170.99690	5.4
171.01401	5.9
171.03552	1.9
171.05003	31.1
172.05203	1.4
173.01431	2.0
173.03008	5.4
174.99182	1.3
175.04478	1.5
177.00723	3.6
179.01813	11.1
181.03450	1.9
182.03371	1.6
183.01556	1.2
183.04988	1.9
185.01216	3.7
185.02927	2.8
186.99098	1.7
187.02803	3.8
187.04454	19.0
189.00752	6.4
189.02467	5.5
189.04189	2.1
189.06055	2.7
189.07611	1.3
191.02394	2.0
191.03946	6.5
192.05180	2.0
193.07024	1.2
194.06644	1.1
194.99797	1.8
195.01418	4.9
195.05077	1.8
197.01273	3.2
197.02916	84.8
198.03198	4.9
200.04425	2.1
201.00702	3.4
203.02209	3.5
205.03645	1.6
207.01836	2.1
207.05040	1.7
209.06572	1.5
211.04605	3.0
211.08272	1.1
213.00739	6.2
213.02504	1.9
213.05911	1.5
214.96660	1.3
215.02231	4.6
215.03978	66.1
216.04343	4.1
219.01801	3.1
219.04987	1.8
220.04652	3.9
221.03024	3.3
221.06712	2.6
223.04637	2.7
225.02797	1.1
225.06116	1.3
229.03491	2.4
229.89146	1.1
231.01732	5.3
233.02974	7.3
233.05185	12.4
235.04562	1.8
237.02863	3.2
237.06075	6.1
238.05766	1.7
239.03998	4.0
245.03133	1.6
245.06708	4.4
247.04466	9.5
247.08522	1.2
249.02716	6.3
249.06149	2.8
251.04240	5.7
253.05484	2.4
257.05249	3.1
259.06766	1.8
261.02899	1.3
261.06119	3.2
263.04227	3.1
263.07666	3.4
265.05505	9.1
267.03870	4.1
269.05246	1.4
271.04324	5.2
271.07120	1.7
272.06473	6.1
273.02917	2.9
273.06174	5.9
275.06229	4.9
279.04059	2.2
279.07257	3.1
281.05460	2.2
283.06613	17.4
285.04672	2.1
289.05435	7.5
291.03815	3.8
291.07175	7.0
293.04837	2.9
297.04868	1.5
299.03931	11.9
301.07666	21.5
302.08032	1.7
303.05722	3.7
307.06650	5.7
309.04626	6.8
309.08298	4.0
311.06183	4.3
317.04956	11.5
324.09509	1.6
325.04489	1.3
325.07562	6.0
327.05527	7.2
329.03760	1.4
329.07205	5.5
335.06079	18.4
336.06281	1.4
345.06665	11.9
353.07175	16.6
371.08176	37.0
389.09351	100.0
390.09634	8.3
394.10114	1.8
407.10364	18.8
412.10876	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	389.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
65.03932	1.0
67.05505	1.2
68.34971	1.0
69.64023	4.7
69.64431	2.5
70.06580	1.5
72.72298	1.3
77.43948	1.1
79.05474	3.0
81.07082	1.6
85.02889	2.4
91.05476	3.5
93.07040	2.3
95.04955	3.3
95.08614	1.2
103.05449	8.9
105.07043	1.4
107.04941	2.7
107.08605	1.4
109.06509	1.6
115.05470	1.6
117.06997	2.1
119.04946	1.9
123.04404	2.2
124.05190	1.1
129.07025	2.0
131.04922	13.1
131.08633	2.1
136.03865	1.1
137.05968	7.9
141.06969	1.2
145.06459	1.7
147.04404	1.9
151.07567	3.1
153.05449	1.5
157.06506	1.5
158.09624	1.3
160.05168	1.6
161.05971	2.1
163.07547	7.8
167.07033	4.3
170.08400	1.2
171.06551	1.2
174.06749	2.1
175.07549	25.0
177.05458	2.9
181.04948	5.9
183.06494	1.5
185.07068	1.4
185.10672	1.8
187.07503	1.7
189.09090	3.1
194.08243	1.4
195.10168	3.2
195.11838	1.1
198.07881	3.8
199.08673	16.6
201.09045	1.6
205.86275	1.2
207.06517	9.1
208.07281	2.3
209.08153	3.1
209.10706	1.9
210.09180	1.6
212.09421	5.2
213.06586	4.6
213.10210	15.4
214.10646	1.4
215.08255	1.8
219.10136	19.9
223.08725	1.5
225.10316	1.5
226.07301	3.3
227.08157	17.8
227.11751	10.0
228.08946	3.3
229.09731	4.4
237.10153	3.1
239.08041	2.1
239.11836	1.6
240.08920	4.7
241.06094	7.3
241.09705	36.3
242.10107	1.0
243.11314	2.4
245.12817	8.8
249.08864	1.8
253.09766	2.3
254.10429	1.3
255.07613	4.4
255.11267	40.3
256.08627	1.6
257.09283	5.7
259.10760	2.8
261.08917	1.5
265.09668	2.2
267.11179	3.5
268.08368	2.1
269.06177	1.4
269.09183	11.2
270.09909	2.6
273.12222	6.8
277.08591	3.7
278.09363	1.4
283.07413	2.6
283.10730	46.1
293.08859	1.5
295.10751	5.9
297.08459	1.4
300.11121	1.6
301.08380	1.9
301.11826	4.0
309.11310	2.1
311.10220	25.0
313.11642	8.5
321.08453	1.3
329.11273	100.0
330.11920	1.8
339.09012	5.2
341.13718	1.3
357.10748	59.9
358.11011	1.8
359.14746	3.0
371.15076	3.4
375.11783	1.5
389.13248	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03933	1.9
55.01867	38.7
55.05490	5.0
55.66442	1.2
57.03426	2.4
62.46411	1.5
65.03931	9.9
67.05489	13.4
69.03413	2.4
69.07056	6.3
69.43652	1.3
69.84657	2.6
69.85067	6.9
72.61828	1.3
72.67093	1.2
79.05483	8.2
81.03447	1.4
81.07038	11.5
82.04182	3.2
83.08572	3.2
85.02888	7.0
91.05459	5.8
93.07021	5.0
93.64766	1.3
95.04945	5.7
95.08590	10.6
97.02861	1.9
97.06532	3.6
98.21431	1.7
103.05460	13.9
105.07007	4.1
107.04925	7.8
107.08586	4.5
108.02122	1.6
109.10137	3.7
110.03625	2.9
111.04407	3.1
115.05467	2.1
115.53245	1.3
117.06999	4.3
119.04967	1.8
119.08560	2.8
121.06480	5.3
121.10098	2.8
122.03632	4.9
123.04412	3.9
123.11700	1.9
124.05110	1.4
125.05966	5.6
128.06213	2.2
129.07001	10.5
131.04909	19.6
131.08589	2.0
133.06506	1.7
133.10080	2.9
135.08047	2.5
135.11652	3.3
137.04985	2.4
137.05968	34.5
138.03096	3.6
139.03806	2.0
142.02602	3.7
145.06439	4.3
145.10114	1.5
147.04457	2.2
149.05960	10.4
151.03873	1.8
153.05444	2.9
153.33212	1.3
157.06479	7.5
159.11671	1.6
160.05176	4.3
161.05971	3.3
163.07513	8.9
167.07030	22.2
171.06499	5.6
174.06789	2.8
175.07547	13.1
177.05453	36.5
177.09021	2.4
179.07071	1.9
181.04942	100.0
182.05249	2.0
183.06531	2.5
185.05968	1.5
187.07553	3.0
189.09076	11.1
191.06927	2.1
193.08592	2.0
199.07475	2.2
200.20256	1.6
201.09169	1.5
205.08525	1.9
209.06039	2.6
209.08054	54.4
210.08379	1.9
217.08554	5.0
219.10045	1.8
221.07965	1.4
221.11667	1.5
234.06758	2.4
235.09653	2.7
249.09158	4.7
261.09048	2.6
261.22144	1.6
277.08502	5.5
279.23206	4.1
293.11810	2.4
309.11313	3.6
321.11206	2.0
339.12192	5.3
341.13846	3.1
371.14938	9.2
371.21838	1.3
389.15933	41.7
389.29175	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	389.159
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03935	2.5
55.01874	12.9
55.05487	3.1
56.96554	7.8
65.03931	10.1
67.05485	6.3
69.07063	6.7
70.93768	5.7
70.94112	2.9
79.05476	5.6
81.07034	7.6
82.04192	2.4
84.96020	6.1
85.02914	3.0
85.06499	3.0
91.05474	28.6
93.07021	7.5
95.04965	7.3
95.08592	4.8
96.36627	2.4
103.05448	7.6
105.07039	6.8
107.04936	8.5
107.08547	4.5
108.02054	2.5
109.06536	3.6
110.03646	5.8
111.04415	5.0
116.98609	3.6
117.06978	4.5
119.04921	34.0
119.08563	4.1
121.02824	4.7
121.06508	5.0
121.10167	4.8
123.04379	7.2
125.05950	5.8
129.06995	5.9
131.04903	10.2
133.06447	2.5
133.10095	6.6
135.08043	3.7
137.05984	22.5
145.06468	4.4
145.10184	2.5
146.18100	2.6
147.04405	100.0
147.08002	2.7
147.11699	3.2
148.04729	7.1
149.05940	4.7
151.07527	7.0
153.05458	9.3
157.06413	4.0
159.11630	3.3
160.05138	2.7
163.07532	3.9
167.07028	13.8
171.06560	2.5
173.13194	2.7
174.06712	4.1
175.07516	25.4
177.05458	15.2
179.06964	2.9
181.04955	32.8
183.06503	7.8
185.13231	2.6
189.09081	6.8
190.07770	2.7
191.06976	3.3
195.08014	4.0
195.10233	7.0
201.09074	3.9
209.08064	21.6
218.07230	2.8
219.10123	35.7
227.07138	2.5
249.09195	3.3
253.08449	6.9
261.09006	3.0
267.10175	2.9
275.09308	3.2
277.08508	9.2
277.11176	3.6
283.09760	3.2
299.12576	2.9
300.09525	2.7
303.09113	5.7
305.03281	4.0
309.11124	7.2
313.10617	9.6
315.09872	10.0
321.10022	19.0
327.12143	19.2
329.10291	6.5
331.15155	3.0
339.11273	22.4
341.13611	7.4
357.13367	4.7
359.14801	14.9
363.10901	14.3
364.11316	3.0
371.14816	11.6
381.12405	3.2
389.15900	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03927	2.0
57.03430	2.1
63.33445	1.6
63.34579	1.6
64.91586	1.6
67.05485	5.0
68.63036	1.7
69.03419	5.2
69.07040	3.1
70.70822	4.7
71.04988	30.3
79.05491	3.5
81.03406	2.2
81.07041	5.1
83.04958	1.9
83.08609	2.1
85.02902	14.7
85.06522	9.6
91.05492	4.0
93.07039	5.6
95.04923	1.9
95.08614	8.0
97.02888	5.7
97.06564	1.9
99.04443	100.0
100.04723	1.9
105.07015	5.8
107.04961	2.3
107.08590	14.6
109.06510	4.3
109.10139	7.6
113.09633	5.6
115.28075	1.5
119.05011	1.6
119.08614	3.7
121.10138	21.2
123.08064	14.2
123.11708	9.2
125.05962	1.7
125.09615	5.6
127.03964	3.0
131.08548	2.0
133.10100	12.7
137.05957	3.5
137.09543	2.3
139.11165	4.8
147.04359	1.9
147.11671	5.3
149.09642	3.4
149.13266	8.3
151.11154	4.9
159.40128	1.8
163.11227	3.0
167.10657	3.2
169.12219	15.2
173.13271	6.5
175.07565	2.0
183.13794	30.5
191.14276	13.3
209.15385	15.0
227.16393	66.5
228.16772	3.0
293.09174	3.7
321.08539	1.7
339.09607	3.1
389.13489	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	389.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.0
56.17817	7.1
57.03427	14.7
57.23359	6.4
57.57776	8.3
59.04988	6.9
65.03967	8.2
67.05477	15.4
69.03439	12.3
69.07045	12.8
69.48426	18.1
69.48837	41.6
71.04994	10.1
72.08105	10.8
79.05479	22.9
81.03410	8.8
81.07044	30.7
83.08612	10.9
84.04497	9.0
85.02892	34.7
85.06556	7.1
86.09678	12.0
91.05464	23.2
93.07025	32.6
95.04954	100.0
95.08592	17.4
97.02884	12.2
97.06507	31.8
99.04446	20.3
99.08021	9.9
105.07006	20.9
107.04947	69.2
107.08562	46.5
109.06496	30.1
109.10125	17.3
111.07990	7.7
115.07554	35.6
116.01612	11.2
119.08545	20.8
121.06486	6.8
121.10132	86.9
123.08059	6.9
125.09538	8.2
127.03823	10.7
131.08527	15.1
133.06477	56.5
133.10092	48.8
134.10513	11.3
135.08015	16.1
147.08012	47.5
147.11649	23.6
149.13220	8.2
151.03964	8.8
151.11165	8.8
153.09070	44.6
162.02255	9.9
163.14738	19.2
164.10704	10.1
165.09163	11.8
167.07001	34.0
168.07350	13.7
169.07576	14.5
171.10141	9.3
173.13203	21.0
175.07442	42.5
181.04956	7.6
191.14255	35.5
193.08568	27.1
209.15338	72.2
210.11192	19.8
211.09561	14.7
227.16383	38.0
228.12236	42.5
231.10692	8.0
262.05145	6.8
310.42505	7.3
326.11279	7.4
358.81421	7.0
389.13504	14.0
389.17743	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	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01860	15.8
55.05495	14.0
67.05492	19.9
69.03422	24.3
70.06577	27.3
71.04996	19.4
71.52627	10.0
71.53017	17.3
72.48885	11.5
79.05479	18.3
81.07046	22.1
83.04955	20.0
85.02902	37.2
85.06554	16.2
86.09689	22.5
87.56033	9.5
91.05456	25.7
93.07035	41.5
95.04959	13.0
95.08564	27.5
97.02858	17.8
105.07010	33.5
107.08587	38.4
109.10106	14.2
119.08524	21.0
121.06496	24.3
121.10133	39.4
125.05970	11.3
125.09626	50.9
127.03915	23.8
128.68968	11.0
131.08636	13.1
133.10101	12.1
135.08076	18.1
135.11647	13.5
137.05994	27.3
145.10124	22.1
147.04390	17.6
147.11621	10.2
147.26895	10.1
149.09612	85.6
151.11179	20.5
152.97742	12.2
153.09146	18.7
153.98608	10.9
163.03879	10.8
163.11176	32.8
163.14801	14.8
167.07079	22.4
167.10649	12.4
173.05701	11.4
177.05444	15.3
181.12192	23.4
191.10655	15.0
191.14333	39.2
209.15329	100.0
217.08685	19.2
227.12756	22.9
265.09604	32.2
293.09128	13.9
297.08755	17.7
321.08737	17.0
339.09518	36.0
353.10229	13.3
371.02298	19.6
371.12201	13.1
375.19064	11.2
389.13290	69.1
389.17709	21.5
390.12003	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	389.2164
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05495	7.4
57.03437	9.7
59.05001	6.2
59.05844	4.0
67.05494	13.4
69.03413	19.1
69.07056	16.8
69.78677	25.4
71.04971	8.6
72.50607	4.0
79.05464	12.1
81.07058	22.4
83.04966	10.7
83.08604	4.4
85.02898	18.4
91.05460	9.2
93.07046	12.6
95.04961	6.9
95.08604	17.0
95.60101	4.0
97.02885	4.3
97.06520	6.9
105.07029	9.9
107.08585	44.6
109.06498	8.8
109.10120	37.6
119.08521	10.4
121.06550	6.2
121.10128	55.0
123.08052	5.6
123.11706	7.4
125.09605	10.1
131.08578	8.3
133.10098	15.8
135.08044	12.0
135.11662	6.8
137.09563	24.6
137.98080	4.2
139.11147	8.6
143.08728	4.8
147.11679	9.6
149.09607	6.1
149.13237	28.0
151.11174	45.8
153.09109	5.5
158.10863	5.8
163.11147	4.9
163.14769	28.3
169.12242	11.5
173.13228	26.2
173.74948	4.3
191.14313	85.7
209.15355	69.5
227.16379	100.0
230.83966	3.9
237.10347	6.4
241.09619	5.1
245.95926	4.8
251.08133	7.9
255.11267	7.2
265.09738	8.6
269.09247	6.4
275.04041	4.7
279.07660	15.5
293.09198	11.9
297.08655	19.5
310.04602	4.3
321.08627	8.3
339.09705	22.0
357.10849	8.5
371.12231	8.2
389.13333	37.3
389.17676	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48093	0.7
53.03926	2.2
53.36812	0.5
55.01861	1.0
55.05258	0.9
55.05501	12.0
56.05799	0.5
57.03408	1.1
57.07069	3.2
62.90363	0.7
65.03925	0.8
65.18877	0.6
67.01849	1.4
67.05495	22.0
69.03409	1.1
69.07057	16.4
70.66135	1.9
70.66491	0.9
71.04967	1.2
71.08611	0.8
79.05471	7.9
81.07043	79.3
82.07369	0.8
83.01328	0.7
83.04955	2.8
83.08606	6.3
85.02872	0.7
85.06521	1.0
89.62086	0.6
91.05457	6.7
93.07030	14.0
94.75928	0.6
95.04959	1.6
95.08592	52.5
97.06504	1.4
97.10145	5.8
99.08046	1.8
101.22543	0.6
105.07009	6.2
107.08571	8.2
109.06522	5.5
109.10135	22.3
111.04426	1.3
111.08039	1.3
111.11697	3.2
117.06989	1.3
119.08532	5.0
121.06466	3.4
121.10112	5.6
123.08081	4.7
123.11684	17.2
124.03435	0.7
125.05925	0.7
128.06201	0.7
129.06978	1.2
131.08569	2.4
133.06461	2.3
133.10101	2.7
135.08029	3.2
135.11687	3.7
137.05949	18.7
137.09575	1.0
137.13240	4.7
138.06689	0.9
139.03885	2.2
139.07518	5.1
141.05452	4.6
142.07780	0.7
143.08501	1.3
144.09247	1.2
145.10117	2.0
146.07228	0.7
147.08009	3.4
147.11676	1.5
149.05951	5.2
149.09576	1.3
149.13242	4.8
151.07520	45.5
151.14799	2.7
152.07985	1.1
157.10107	1.8
159.08063	3.0
159.11664	1.2
161.05977	5.2
161.09554	2.9
161.13275	1.1
163.07512	2.6
163.11151	0.7
163.14790	2.2
165.05449	14.5
165.07750	1.1
165.09099	12.7
167.07010	100.0
168.07323	1.1
168.28069	0.7
171.08020	0.8
171.11601	1.2
173.09583	2.1
174.06726	1.1
175.07477	6.3
175.11163	2.0
177.05495	1.2
177.09068	4.9
178.06259	0.7
179.06999	5.4
179.10641	4.1
181.08589	3.1
185.09570	2.2
187.11223	0.9
188.08339	1.0
189.09058	14.5
189.10735	1.0
189.12704	1.3
190.09695	0.9
191.07002	6.7
191.10645	3.1
191.17946	2.8
192.07773	2.1
193.08597	8.3
193.12291	1.7
195.10130	1.1
199.11107	0.8
201.09073	1.3
201.12814	1.0
202.09882	0.9
203.10651	7.0
203.17906	0.8
205.08618	5.6
205.12163	3.5
205.19540	1.5
206.09406	1.2
207.10120	13.3
215.10649	2.1
215.14166	0.8
217.12206	4.3
217.19502	1.6
219.10173	3.9
219.13725	1.2
221.11717	5.1
229.12152	1.6
229.15813	0.9
231.13805	1.6
231.21295	0.8
233.11740	4.6
235.13284	1.1
243.13750	1.4
247.13254	2.7
257.15320	1.7
259.16788	1.0
261.14807	2.7
275.16437	3.0
277.18063	1.1
322.27380	0.7
325.25272	1.1
343.26184	1.7
353.24725	1.5
371.25778	7.1
389.26807	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	389.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05252	1.0
55.05502	12.0
57.03422	1.7
57.07060	2.4
60.22502	0.7
65.03921	0.9
67.01862	2.0
67.05496	20.1
69.03425	1.6
69.06700	1.5
69.07056	14.4
70.79597	1.7
71.04958	1.3
71.08631	0.9
78.08566	0.8
79.05485	9.4
81.07047	72.2
83.04963	2.7
83.08601	5.2
85.06538	2.0
91.05466	6.1
93.07035	12.7
95.04958	1.5
95.08594	52.2
97.10163	4.1
99.08050	1.6
103.14088	0.8
105.07026	5.5
107.08568	8.9
109.06534	4.9
109.10143	22.7
111.04419	1.3
111.08079	1.0
111.11697	2.7
117.06974	1.1
119.08567	5.1
121.06499	3.0
121.10129	5.6
123.08056	5.7
123.11691	16.2
124.10996	0.7
125.05985	1.2
128.28154	0.8
131.08543	2.9
133.06444	1.5
133.10107	2.8
135.08032	3.4
135.11681	3.7
137.05966	17.6
137.07024	0.9
137.09567	1.1
137.13208	4.7
139.03886	2.7
139.07544	5.9
141.05463	6.4
143.08572	1.5
145.10103	0.9
147.08022	3.5
147.11635	1.9
149.05959	5.1
149.09612	1.1
149.13261	5.8
151.07521	43.7
151.14813	3.0
157.10065	1.0
159.08035	2.6
159.11678	2.3
160.08824	0.8
161.05966	5.1
161.09601	2.8
161.13297	1.7
163.07478	2.3
163.14764	1.1
165.05475	12.1
165.09085	15.6
167.07019	100.0
168.07352	0.8
173.09549	2.7
175.07527	5.2
175.11160	2.1
177.09070	4.5
179.07047	5.0
179.10641	5.3
181.08606	3.3
184.07335	3.0
185.09639	1.1
187.11185	2.0
188.08420	1.2
189.09070	12.5
189.12761	1.1
191.07024	6.5
191.10609	3.8
191.17975	2.2
192.07719	2.2
193.08586	6.3
195.10251	1.0
203.10587	6.0
205.08557	5.0
205.12215	3.4
205.19458	2.5
207.10132	12.1
215.10616	2.3
217.12224	3.2
219.10114	3.3
221.11690	5.0
229.12241	2.3
233.11722	3.2
233.15245	0.9
234.95732	0.9
235.13303	1.4
243.13853	1.3
243.93559	0.9
247.13304	4.5
257.15411	1.9
261.14850	2.9
275.16360	2.5
277.17999	1.0
343.26321	1.3
353.24792	2.0
361.27234	1.1
371.25867	6.6
389.26825	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.8
65.03934	0.6
71.02785	2.0
71.10366	0.6
79.05479	1.1
83.04975	1.8
85.75546	0.7
89.03891	4.5
98.97562	0.8
107.04913	1.3
111.04426	2.7
117.03362	5.3
121.02861	1.0
121.75055	0.7
135.03381	0.8
135.04404	14.4
139.03871	1.8
143.00121	0.9
145.02824	9.9
153.00668	0.7
163.03891	100.0
164.04210	4.8
181.04723	0.7
193.07077	0.8
225.00719	0.9
243.01849	0.7
335.67801	0.7
343.10629	0.7
355.10214	1.9
403.93597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19925	2.1
69.04626	2.2
69.73446	3.8
69.73843	6.6
74.50797	2.0
81.30618	1.9
85.02897	13.1
91.05455	6.4
97.02833	2.6
102.83736	2.0
105.06999	5.0
107.04942	100.0
119.04895	2.4
119.08567	5.6
121.06487	3.8
129.07028	5.0
133.06485	69.9
137.05984	4.6
147.04356	2.2
147.08029	48.0
159.93581	2.3
165.09073	10.8
175.07539	57.9
193.08601	34.5
206.47783	1.9
211.09590	13.6
228.12431	2.7
354.60956	1.9
359.03708	2.3
390.18213	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	391.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.8
55.01859	9.0
55.05500	12.1
57.03418	6.3
57.07061	5.6
58.94878	4.5
61.02895	5.8
67.05482	9.8
69.03426	34.0
69.07052	7.8
71.04949	29.7
73.02905	10.4
73.06541	5.2
79.05471	10.5
81.03412	32.3
81.07031	15.5
83.04958	14.9
83.08598	5.7
85.02895	61.6
85.06525	12.4
87.00815	18.5
91.05480	9.5
93.07018	12.1
95.04958	35.8
95.08591	10.7
97.02856	21.3
97.10149	8.3
99.04430	15.7
105.01857	11.8
105.07002	12.3
107.08580	55.0
109.02875	26.5
109.06489	8.9
109.10152	8.1
119.08566	9.0
121.02869	4.6
123.08039	8.6
123.11709	5.2
125.09631	95.9
127.03889	28.9
129.01830	4.4
133.10143	8.9
137.05937	5.5
137.09612	11.3
143.08662	4.2
143.10658	100.0
145.04950	12.2
145.10088	5.6
149.02315	27.4
149.09595	4.5
153.05432	5.1
155.08458	4.4
159.02866	15.1
167.07014	15.5
167.10628	29.4
176.07974	5.1
179.10643	6.3
209.11617	5.6
211.08656	4.0
231.04977	4.6
233.11722	9.7
273.70975	4.1
296.69766	5.3
300.51324	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
53.90261	2.3
55.05506	12.3
57.07058	7.2
59.04984	2.5
65.03915	4.9
67.05492	17.5
69.03401	4.6
69.07043	10.9
70.89034	5.5
71.08633	3.1
79.05482	25.2
80.71599	2.6
81.07049	35.3
83.04967	6.1
83.08604	6.3
91.05464	39.0
93.07029	43.8
94.07339	4.9
95.04964	39.1
95.08606	24.5
97.06509	7.7
103.05453	5.3
105.07025	64.3
107.08592	23.3
109.06506	8.6
109.10141	6.5
115.05427	3.6
117.07005	16.2
119.08559	50.3
121.06492	11.8
121.10123	30.9
123.08039	7.9
123.11691	5.1
128.06201	12.2
129.06989	16.1
130.07776	6.2
131.08571	22.4
133.06369	2.4
133.10132	18.0
135.08029	7.8
135.11621	6.0
141.06929	5.5
142.07761	14.9
143.08540	31.8
144.09233	4.7
145.10112	54.8
147.08003	7.8
147.11702	12.2
149.02333	18.2
149.09589	6.3
153.06993	3.8
154.07631	2.8
155.08534	13.8
156.09337	12.4
157.10114	32.6
158.10875	3.4
159.08028	11.0
159.11642	14.6
161.09572	6.1
161.13292	4.8
163.11253	5.0
165.06975	10.3
167.08575	7.5
168.09308	6.8
169.10109	23.2
170.10808	4.4
171.11681	17.2
173.09645	6.1
173.13229	9.1
175.11188	4.0
179.08521	12.5
180.09323	6.0
181.10085	19.8
182.10843	7.8
183.08008	4.1
183.11696	19.4
184.07349	2.7
185.09662	6.5
185.13220	8.3
187.14804	3.1
191.14381	4.0
192.09320	8.4
193.10141	17.9
194.10861	11.5
195.11670	22.2
196.12363	4.9
197.09567	5.0
197.13196	13.9
199.11192	8.4
199.14873	6.9
203.08522	3.3
205.10229	4.6
206.10838	6.6
207.11670	18.7
208.12415	6.1
209.09618	7.8
209.13257	17.7
211.11166	8.2
211.14760	8.0
213.12717	7.5
217.10095	4.3
219.11571	12.4
220.12463	7.0
221.13228	15.0
223.11035	3.1
223.14732	13.5
225.12584	3.9
225.16368	5.1
227.14195	4.6
231.11786	6.7
232.12407	5.2
233.13206	7.4
233.15346	5.9
234.13995	3.9
235.11140	5.5
235.14809	12.8
236.15536	5.6
237.16333	6.4
245.13199	7.7
246.14203	2.9
247.14792	8.6
249.12718	8.8
249.16423	10.0
250.13425	3.9
250.16692	3.1
251.14217	8.0
251.18008	5.0
257.13260	3.9
258.13931	3.7
259.14877	5.0
261.16406	7.7
263.17865	6.5
264.18793	3.5
267.13831	4.7
267.17416	5.0
271.14606	4.1
271.20581	2.9
273.16306	4.4
275.17853	5.3
277.16144	2.8
277.19543	4.1
279.17383	3.6
281.19055	3.5
282.19623	6.1
289.15823	2.5
289.19287	3.8
291.17361	5.0
293.18964	3.8
295.20511	3.6
297.18411	5.8
317.19086	4.5
335.19934	5.8
341.42242	3.1
344.24030	3.4
363.27011	3.9
373.21323	3.4
373.25305	18.7
391.26242	100.0
391.36182	10.9
392.26465	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	391.2835
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
55.05505	18.0
57.07061	7.0
61.02909	1.9
67.01859	1.5
67.05497	7.8
69.03418	1.5
69.07056	23.6
71.08609	4.6
71.54501	1.9
75.84309	1.4
79.05493	3.2
81.07046	18.3
83.08611	13.5
91.05473	5.5
91.44011	1.4
93.07026	9.8
95.04955	1.9
95.08591	12.3
96.04744	1.5
97.10155	7.2
98.98443	2.4
105.07056	3.2
107.08585	4.4
109.06501	3.4
109.10136	7.8
111.11710	4.0
113.13276	1.5
118.17830	1.2
119.08590	1.8
121.06499	2.6
121.10175	2.3
123.08069	3.6
123.11698	3.8
131.08556	2.8
135.08040	3.2
137.05960	14.6
137.13268	2.2
139.07523	3.1
145.10107	1.5
147.08058	1.7
149.02342	9.1
149.05974	3.7
149.13214	1.7
151.07520	30.1
151.08638	2.7
155.01036	3.7
158.07191	1.7
159.08066	1.8
159.11726	1.9
161.05972	2.9
161.09677	2.0
163.07513	1.6
165.05426	10.6
165.09059	9.0
167.07021	100.0
168.07314	1.6
175.07544	4.2
177.05412	1.6
177.09091	6.0
179.07039	4.7
179.10638	3.2
181.08626	5.6
189.09048	5.0
191.07013	6.0
191.10632	3.2
193.08572	9.2
203.10690	7.0
205.08589	12.0
205.12228	1.9
207.10123	9.7
217.12212	3.4
219.10100	7.6
221.11642	4.6
233.11691	2.1
235.13170	3.5
263.16592	1.5
277.18185	1.7
317.21039	1.9
355.26056	1.9
361.27258	10.1
373.27234	10.3
391.28497	18.3
392.28708	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	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
61.02924	1.6
69.03403	3.0
69.68291	1.6
69.68694	5.9
70.06569	1.7
74.11906	1.3
79.05473	3.2
81.03393	1.8
85.02905	10.3
86.94596	1.0
90.03143	1.1
91.05448	1.9
95.04945	2.8
97.02865	1.6
98.20718	1.3
103.05455	4.6
105.06994	3.0
107.04948	41.1
109.02861	1.6
115.05396	1.6
121.06491	1.3
123.04441	2.1
124.05202	1.4
127.03878	1.1
131.04854	2.3
135.08046	11.7
137.05966	2.3
139.26561	1.1
145.02832	1.5
145.04915	1.6
147.04338	1.3
149.02312	1.9
151.03871	2.4
154.06241	2.6
162.47336	1.0
163.03772	1.4
163.07526	32.6
167.07022	90.5
168.07390	2.3
177.05443	1.2
180.07732	1.9
181.08551	2.2
195.10143	25.4
213.11189	100.0
214.11476	1.6
295.23108	1.2
375.11798	2.8
416.29337	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	392.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.6
59.28377	3.4
62.89539	3.6
67.05508	6.0
69.03416	11.5
69.07056	8.6
71.04982	9.9
71.56483	6.2
76.57034	3.5
78.04507	4.1
79.05473	10.6
81.03403	8.4
81.07041	24.7
83.08586	7.4
85.02887	20.3
85.06049	6.9
85.06535	100.0
86.09712	6.0
91.05459	7.5
93.07024	29.7
95.04948	3.5
95.08579	9.1
97.02901	5.1
97.06519	30.8
105.07018	9.2
107.08566	21.3
109.02866	6.0
109.10141	6.3
115.67068	3.8
119.08578	8.1
120.08086	11.2
121.10145	38.1
123.64660	4.2
127.03838	5.7
131.55157	3.6
145.04892	3.7
147.04393	4.2
149.02269	9.2
149.13255	30.4
159.11650	10.8
167.14285	6.4
177.12712	18.9
195.11885	6.0
195.13757	65.6
213.12947	6.3
213.14801	23.2
325.04373	4.1
346.04639	7.9
346.55048	4.1
369.06290	8.6
393.18954	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	393.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27283	22.0
56.96537	30.4
69.94997	21.7
71.03212	64.4
80.94322	21.8
123.95272	23.7
175.89072	25.2
285.43219	25.4
351.87738	23.9
393.05701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50550	0.4
51.55692	0.4
55.05478	0.4
68.04993	1.6
69.51883	0.3
69.52200	3.2
70.06572	1.2
73.02901	1.8
76.36759	0.4
83.04966	0.5
84.08082	0.5
91.05445	0.8
96.06830	0.4
98.20738	0.7
109.02855	0.5
111.04428	0.6
119.04893	0.9
124.05056	0.5
125.05979	2.4
130.05003	0.6
140.03400	0.6
147.04381	3.3
149.04607	0.9
149.05894	0.7
151.03877	7.2
151.04955	0.6
166.07216	0.7
172.06038	0.9
173.01775	0.8
179.06976	1.9
187.66081	0.4
189.06491	0.5
197.06639	0.4
197.08105	3.6
201.06372	1.6
202.07210	1.9
203.07954	1.6
204.08794	6.3
204.92889	0.4
214.07202	0.9
215.07933	1.9
216.08780	100.0
217.09413	3.9
218.10347	4.1
225.06419	10.7
226.07237	3.2
227.07994	0.9
228.08719	1.1
229.09509	1.1
230.10341	10.1
231.06635	0.6
240.08768	55.9
241.09392	2.7
242.06671	0.6
242.10295	0.5
243.06573	0.6
246.09854	7.4
256.08371	0.5
258.09915	2.6
268.08234	4.9
272.11426	3.7
273.07593	0.6
283.09387	1.2
286.08951	0.6
300.10873	53.1
301.11127	2.2
311.08804	0.8
315.11990	1.0
317.13763	0.4
333.12964	2.8
343.11411	2.2
361.12521	4.6
375.14081	4.9
393.15134	23.5
394.15399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01863	2.8
65.03919	2.5
67.05480	2.6
69.03423	0.7
69.96100	2.3
70.06570	1.6
73.02908	27.1
81.07063	1.1
83.04967	0.9
84.08128	2.3
85.02901	1.3
91.03949	0.6
91.05482	5.3
93.03412	0.9
95.04964	1.6
107.04942	1.4
107.08562	1.0
108.02094	2.1
108.80580	0.6
109.02848	0.9
110.03639	4.6
111.04424	4.9
113.13365	0.6
119.04947	5.0
125.05979	37.9
131.08556	0.6
135.04390	0.9
135.08043	0.7
135.11624	0.7
137.05989	4.8
139.03870	1.3
141.05449	3.3
147.04404	7.1
149.05966	5.2
151.03893	100.0
151.04976	7.0
151.07451	3.8
152.04227	2.3
161.05913	1.4
173.01778	2.4
179.05412	1.4
179.07014	24.3
180.07388	0.8
197.08069	53.4
198.08400	1.0
218.97372	1.1
220.06020	0.8
231.06490	1.1
243.06627	0.7
253.08644	0.7
273.07574	0.9
273.11224	1.1
345.13647	0.7
393.16202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53579	2.4
52.79480	2.1
53.03934	3.1
55.05497	3.6
67.05501	5.8
69.03417	9.0
69.73081	16.0
72.38497	2.4
72.43655	2.1
75.77955	2.4
79.01585	2.5
79.05464	5.9
81.07003	2.9
83.04974	26.1
83.06093	16.0
84.04492	15.2
84.27600	2.8
91.05480	11.2
93.07037	7.0
95.04974	6.5
97.02873	4.6
101.07137	7.5
105.07033	7.9
107.08576	29.1
109.02841	6.0
110.07177	3.2
117.07028	7.2
119.08578	8.0
121.06487	18.6
123.07982	3.2
129.06560	40.9
130.04991	12.8
131.08536	13.4
133.10086	7.8
133.95949	2.3
135.08038	41.3
143.08531	4.8
144.09334	4.6
145.06485	4.8
145.10129	9.4
147.07713	10.4
155.08569	3.8
157.10095	3.6
158.10875	6.9
159.08061	9.3
159.11682	19.7
160.08815	5.4
161.09573	5.7
163.07497	31.5
171.08025	5.9
172.08830	14.0
173.05885	3.0
173.09590	10.6
173.13249	20.9
175.07561	2.8
183.11699	5.2
186.10368	32.9
187.11148	34.4
196.08842	6.1
201.12740	54.8
203.14169	3.7
205.12233	4.6
205.65297	2.4
211.11197	10.0
214.09854	5.0
219.13774	6.7
229.12228	79.1
247.13341	17.9
330.16980	7.0
358.16553	14.7
375.19135	100.0
376.19354	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	393.2418
Annotation	Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate
Peak:m/z	Relative Intensity
53.01928	2.2
53.03917	3.8
53.62503	2.5
55.05505	18.3
57.07048	3.0
67.05216	2.3
67.05502	26.9
69.03402	5.5
69.07055	12.5
69.25002	4.5
69.25402	24.7
71.04973	3.0
72.88745	2.5
76.29261	2.5
79.05480	8.0
80.39893	2.0
80.98817	2.2
81.07047	22.3
83.08624	4.4
83.64092	2.3
91.05441	7.1
93.07043	16.8
95.04974	18.7
95.08589	27.0
97.06497	5.6
97.10169	11.9
103.14707	2.6
105.07005	9.3
107.08603	19.4
109.06495	5.8
109.10152	20.2
111.08065	11.1
117.06992	8.7
119.08554	9.8
121.06461	4.3
121.10151	13.8
123.08067	12.1
123.11666	9.3
125.09608	7.2
129.07030	18.5
131.08559	6.5
133.06474	2.4
133.10094	5.2
135.08043	5.7
135.11630	9.3
137.13260	2.3
141.06944	9.6
143.08539	32.3
145.06488	14.4
145.10077	5.6
146.77449	2.2
147.11661	6.0
149.09572	6.1
151.11252	3.2
154.07718	4.4
155.08525	27.6
157.10091	9.5
159.08028	10.1
159.11734	3.6
161.09651	2.7
163.07463	2.8
163.11148	13.1
163.14723	2.6
165.07016	6.7
165.12798	3.7
167.06110	2.6
167.08536	11.5
168.09238	2.9
169.10115	22.7
171.08044	11.5
171.11734	3.7
173.09698	4.0
173.13222	6.5
177.12759	4.3
179.08502	10.3
181.10092	31.4
183.08031	11.0
183.11647	8.5
185.09621	26.1
191.14336	4.3
192.09322	9.5
193.10115	20.6
194.10776	7.1
195.08044	6.4
195.11665	26.6
197.09608	20.2
197.13240	2.7
198.65770	2.4
199.11159	6.4
201.08904	2.8
203.10623	14.6
205.10173	4.3
206.10876	4.9
207.11661	42.6
209.09775	16.3
209.13222	84.9
210.13625	2.7
211.11188	15.2
212.11717	3.3
213.09114	5.9
215.10609	13.5
218.10934	4.3
219.11630	6.4
221.09637	4.5
221.13171	13.2
223.11177	17.5
223.14749	10.0
224.11674	3.2
225.08691	2.8
225.12717	7.2
227.10637	9.2
229.12183	4.2
231.11671	5.4
233.13222	12.0
235.11061	12.9
235.14754	16.1
237.12677	19.5
237.16379	8.5
239.14275	5.2
241.12135	4.8
245.13197	6.0
247.10999	5.4
247.14693	4.4
247.85683	2.5
249.12689	26.9
249.16357	11.9
251.14278	64.1
251.17270	3.2
251.17941	3.1
252.14952	9.1
253.15898	7.2
255.13777	3.7
259.14694	4.5
261.12677	5.7
261.16238	3.3
263.14243	9.2
263.17978	4.1
264.14691	3.2
265.12390	3.2
265.15897	7.3
267.13770	4.7
268.14456	5.7
269.12296	3.4
269.15302	43.2
270.15799	5.5
273.16330	5.2
275.14954	3.1
275.17865	21.3
277.15872	7.5
277.19370	6.6
279.14133	4.1
279.17392	27.8
280.17728	2.7
283.16782	5.2
291.17432	12.9
293.18973	3.5
295.16861	3.2
297.18430	9.2
301.15640	4.3
303.17517	2.4
305.15366	4.1
305.19028	5.5
305.22583	9.9
315.17487	3.4
315.21075	7.3
317.18954	41.7
318.19415	3.8
319.20557	19.6
333.22006	11.5
335.19675	3.2
347.23511	23.3
357.22073	10.4
358.22815	2.5
365.24994	2.9
375.11926	2.1
375.23157	85.9
376.23468	8.7
393.24167	100.0
394.24585	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	393.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23171	1.9
53.03928	2.4
55.05505	11.2
56.96196	1.8
57.07058	3.3
67.05495	21.9
69.03394	2.2
69.07057	11.1
69.46329	1.8
71.04976	2.1
71.54031	3.1
79.05476	9.1
81.07044	19.2
83.04951	2.7
83.08591	3.6
83.20393	1.9
85.06496	1.8
91.05469	9.9
93.07029	21.8
95.04955	11.5
95.08046	3.1
95.08593	34.6
97.06519	4.2
97.10123	8.9
105.07024	12.7
107.08575	26.3
109.06482	6.4
109.10132	15.0
111.08049	11.1
117.06966	7.6
119.08566	13.3
121.06463	4.1
121.10121	16.8
123.08038	12.8
123.11662	3.5
125.09566	5.1
128.06160	6.3
129.07002	19.7
129.23065	1.8
131.08537	8.0
133.10071	8.5
135.08006	4.0
135.11673	15.5
137.09573	4.8
141.06923	4.6
141.09038	2.3
142.07707	2.6
143.08537	50.3
145.06435	5.6
145.10150	10.3
147.08006	2.4
147.11658	4.4
149.09593	6.0
149.13228	3.5
151.11136	2.7
153.07022	2.7
154.07689	3.0
155.08543	22.5
156.09184	2.6
157.10080	14.8
159.08005	10.0
159.11671	9.5
161.09605	3.0
161.13214	3.0
163.07494	4.5
163.11159	21.9
165.06982	2.4
167.08456	7.2
168.09239	2.8
169.10081	40.7
171.08015	6.2
171.11629	8.7
173.09502	2.3
173.13275	4.6
175.11111	3.8
177.12642	3.3
179.08514	7.4
181.10069	16.4
182.10703	2.0
183.07967	2.9
183.11685	16.6
185.09604	11.3
185.13185	4.4
189.09048	5.4
191.14246	3.7
192.09299	3.0
193.10124	15.9
194.10820	7.4
195.07961	6.3
195.11618	18.4
197.09529	12.7
197.13231	12.7
199.11174	5.4
201.09103	3.2
203.10648	50.1
204.10910	3.0
205.09964	2.5
207.11671	25.3
208.12326	2.3
209.09645	28.1
209.13202	58.5
210.10278	6.3
210.13612	4.8
211.11163	21.9
211.14679	15.1
213.09042	6.2
213.12648	7.1
215.10626	14.9
217.10194	2.5
219.11606	5.5
220.12303	2.0
221.09564	7.7
221.13104	11.2
223.11131	20.0
223.14798	7.8
224.11597	2.3
225.12686	4.6
225.16341	3.2
227.10684	13.9
227.14128	2.7
229.12096	5.9
231.11635	3.1
231.13773	2.9
233.13217	6.9
234.10341	5.3
235.11179	13.6
235.14613	9.8
236.11790	2.6
237.12692	17.2
237.16269	4.6
239.10802	2.3
239.14247	5.2
239.17902	3.1
241.12134	9.4
245.13216	5.5
247.11195	3.5
247.14793	3.1
249.12688	30.4
249.16264	3.7
250.13356	11.2
251.14255	44.3
252.14948	8.3
253.12160	3.7
253.15768	14.8
253.19460	4.2
255.13638	5.4
259.14670	7.3
261.12656	2.5
261.16382	3.6
263.14212	7.9
263.17801	4.6
265.12009	2.5
265.15756	5.7
267.13754	7.2
269.15295	45.4
270.15594	3.6
271.14783	2.0
273.16476	4.2
275.17831	3.6
277.12250	2.1
277.15848	7.3
277.19406	5.0
279.17416	20.0
280.17990	2.5
281.15311	4.5
281.18668	2.1
283.16739	3.1
287.17752	2.8
291.13834	2.5
291.17303	5.1
293.18692	3.4
295.16809	3.2
303.17242	2.3
305.15335	3.9
305.18985	3.2
309.18436	2.5
311.27682	2.1
315.20877	4.3
317.18570	2.9
319.16684	3.3
329.22394	5.8
333.22018	6.5
335.20105	3.0
347.23666	10.6
348.24261	2.5
357.22061	9.4
358.22491	3.0
365.24603	3.1
368.66910	2.4
375.23129	100.0
376.23328	9.3
393.24048	83.8
394.24527	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	393.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01868	3.3
55.05499	4.3
57.03426	7.0
61.02917	4.9
65.03936	2.4
67.05501	5.9
68.53937	1.5
69.03422	21.7
69.07080	3.3
70.06580	21.2
70.13037	3.7
71.01328	3.1
71.04987	6.4
71.47411	1.2
72.08158	2.5
73.02919	8.9
75.04485	2.7
77.50770	1.4
79.05488	5.2
79.74346	1.5
81.03409	6.2
81.07030	9.5
83.04964	6.9
83.08623	3.1
84.08136	3.9
85.02906	4.8
85.06544	5.5
89.03922	4.2
91.05499	7.3
93.07046	7.1
95.04966	12.1
95.08593	13.2
97.02889	1.4
99.04456	9.0
105.03369	1.6
105.07027	3.7
107.04971	3.7
107.08579	8.5
109.02869	1.5
109.10166	5.6
111.04428	9.8
114.89368	1.4
115.05336	1.5
116.07082	5.1
117.03375	13.1
119.04961	1.8
119.08589	2.2
121.06520	1.5
121.10128	12.9
123.04448	2.6
123.11671	3.2
125.05978	11.0
125.09657	2.0
129.10274	1.7
130.06523	1.9
131.04875	2.9
133.10114	2.2
135.08072	1.8
135.11678	3.6
137.05949	8.6
139.03882	7.2
145.02835	35.9
145.10181	1.9
146.05988	1.8
147.04327	2.5
149.05989	5.7
149.13303	1.7
151.03891	25.7
151.05043	2.3
151.07614	1.7
153.01881	3.0
158.34535	1.4
159.09100	3.3
160.08766	2.0
161.05931	2.7
161.07112	3.6
163.07608	4.6
165.05568	3.0
165.16348	3.6
177.05452	65.6
177.16374	20.4
178.05829	6.2
179.07011	7.0
179.44144	1.5
183.17455	2.7
188.08174	27.8
195.17422	9.5
197.08035	12.7
197.11819	2.1
199.05981	19.0
213.12463	3.9
214.06163	4.5
216.07742	4.4
231.19466	9.1
232.07164	15.2
234.08871	2.8
259.08215	76.4
260.08588	5.0
280.91779	1.4
333.09692	3.5
375.13141	4.7
393.14090	100.0
394.14603	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.2
55.01852	3.1
55.05505	20.2
57.07057	10.5
65.03925	3.8
67.05493	33.7
69.03428	3.4
69.07055	25.1
71.08610	6.9
79.05479	39.2
81.07043	63.5
83.04958	6.3
83.08611	8.7
85.06523	3.8
87.77914	2.9
91.05470	57.3
93.07030	85.6
95.04951	66.8
95.08598	62.7
96.99628	2.6
97.06503	9.4
97.10145	4.3
98.98477	6.4
103.05437	4.7
105.07017	100.0
107.04987	2.7
107.08586	52.0
109.06516	16.6
109.10144	27.1
111.08044	4.1
115.05394	5.3
117.07003	26.6
119.08568	92.4
121.06482	24.8
121.10122	36.3
123.08027	5.2
123.11669	14.8
128.06189	11.4
129.06956	16.1
130.07776	9.1
131.08560	45.9
133.06441	2.6
133.10106	62.0
135.07999	9.4
135.11696	21.1
137.09618	5.2
139.11095	4.0
141.06943	9.5
142.07744	23.6
143.08543	40.7
144.09286	11.9
145.06429	3.4
145.10106	70.2
146.07314	4.4
147.08003	6.5
147.11649	27.6
149.09625	4.3
149.13246	4.0
153.07013	3.5
154.07773	3.6
155.00998	13.3
155.08569	14.8
156.09322	12.1
157.10103	55.0
158.10876	4.5
159.08034	5.9
159.11658	45.0
161.09647	19.0
161.13217	6.1
163.11186	3.3
167.08612	5.5
168.09346	7.4
169.10092	19.7
170.10851	3.9
171.11623	25.4
172.12379	3.8
173.09639	5.9
173.13229	23.3
175.11176	9.4
175.14801	17.8
179.08588	5.8
180.09288	3.5
181.10092	8.9
182.10835	5.0
183.11679	18.9
185.09622	3.8
185.13159	14.4
187.11162	9.8
187.14796	11.2
193.10172	5.9
194.10852	6.6
195.11658	13.3
196.12476	6.0
197.13237	15.1
199.11057	3.7
199.14841	8.1
201.12663	4.2
201.16354	10.5
206.10753	3.4
207.11652	4.5
209.13187	16.1
211.14790	8.9
213.16426	5.2
215.14334	3.2
221.13158	5.8
222.13989	5.1
223.14784	11.3
225.16385	5.0
227.14203	3.6
235.14787	6.5
237.16359	6.1
239.14322	3.1
239.17961	3.5
253.15755	4.6
260.79324	2.6
265.19235	4.0
375.26840	5.8
393.27722	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	393.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01873	8.5
55.05507	1.9
57.03424	3.7
57.07071	21.4
57.10872	1.0
58.94456	0.9
62.07995	0.8
67.44279	0.8
69.07040	3.9
70.71366	2.0
71.08629	16.4
81.03410	11.7
83.08588	2.6
85.10175	10.8
97.02868	1.5
97.10168	1.9
99.04458	1.0
99.11710	1.1
101.27330	1.0
109.02866	16.3
115.03915	7.2
123.04411	1.1
125.09512	1.0
127.03905	100.0
127.14879	1.1
128.04245	2.0
141.05440	4.1
145.04915	1.2
155.07022	2.4
168.06494	1.8
169.08633	5.7
172.01219	1.1
183.10147	10.0
197.11694	7.6
211.13327	6.5
225.14912	5.9
239.16397	9.1
252.85033	1.2
253.17975	10.5
267.19550	9.3
281.21115	7.5
295.22598	6.2
309.24103	5.3
323.25729	6.5
337.27423	4.8
363.43839	1.3
379.35135	1.0
393.33621	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.1
57.07074	2.4
62.59327	1.3
63.30276	1.3
67.05496	22.4
69.03417	3.3
69.07058	7.8
71.04980	2.2
71.34183	1.4
79.05489	5.5
81.07050	47.7
83.08610	2.5
85.02890	9.2
85.06540	2.6
87.32216	1.3
91.05469	3.8
93.07035	5.7
95.08595	39.2
97.06496	2.4
97.10195	2.8
105.07029	6.2
107.08624	3.2
109.10126	4.0
119.08552	7.1
121.10148	3.4
123.08077	3.1
127.03860	2.9
133.10126	6.1
135.11658	10.1
137.06007	2.2
137.09615	1.9
137.13240	100.0
138.13573	3.2
145.10204	1.9
148.55138	1.3
161.13239	14.0
179.14288	19.4
197.15343	16.2
215.16402	98.8
216.16660	3.2
233.11482	2.5
395.20544	1.6
406.68042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15555	3.9
53.03945	4.7
55.05512	23.4
57.07079	4.9
59.04981	4.9
67.05493	36.9
69.03411	10.5
69.07053	24.9
71.53254	3.8
79.05482	21.2
79.83275	3.4
80.73689	3.8
81.07040	31.2
83.04969	42.4
83.08613	3.8
91.05463	27.6
91.65462	3.5
93.07042	43.0
95.04964	13.0
95.08606	38.8
97.06544	4.0
98.41859	3.6
103.05501	5.0
105.07024	41.8
107.08578	42.6
109.06474	10.6
109.10111	17.0
109.29108	3.4
111.04440	19.7
111.08049	10.1
113.05984	4.4
115.05387	4.7
117.06987	15.5
119.08566	33.7
121.06433	4.4
121.10117	10.7
123.08035	9.5
123.11666	8.5
128.06233	6.5
129.07036	9.6
131.08542	30.2
133.06432	5.2
133.10136	27.7
135.08029	15.9
135.11678	11.3
139.07428	4.3
141.07010	6.9
142.07751	10.5
143.08553	29.5
145.06503	5.5
145.10112	50.8
147.08086	7.8
147.11671	17.0
153.06935	4.7
155.08534	19.1
156.09291	8.1
157.10127	38.3
159.08041	10.8
159.11684	19.4
161.09592	14.4
161.13326	4.6
163.11160	8.8
165.07036	11.0
165.08774	3.7
166.07780	10.1
167.08543	11.9
168.09373	6.1
169.10078	24.2
171.08070	4.4
171.11699	36.1
173.09598	18.5
173.13249	15.8
175.11111	7.4
177.12717	20.5
179.08546	11.1
180.09274	11.5
181.10103	80.0
182.10887	8.4
183.11636	19.0
184.12381	6.3
185.09676	10.2
185.13249	17.3
186.13881	4.0
187.11147	12.3
192.09383	4.3
193.10117	12.8
194.10860	5.1
195.11659	41.6
196.12410	8.0
197.13223	22.4
198.13979	4.8
199.11125	35.6
199.14830	10.7
201.12740	8.1
206.11102	5.5
207.11745	18.5
208.12320	10.3
209.13242	26.7
211.11134	7.2
211.14775	16.2
213.12749	17.0
213.16248	9.6
214.86452	3.9
214.98816	4.6
219.11765	5.7
220.12354	5.3
221.13257	13.5
222.14021	12.8
223.14757	16.2
225.12640	5.0
227.10686	6.3
227.14244	8.5
227.17870	4.8
229.08580	4.6
235.14807	13.8
237.16350	91.9
238.17001	8.2
239.14243	8.9
239.17744	6.0
240.07848	5.5
247.14841	5.6
249.16367	5.4
251.17975	13.5
255.10135	13.1
255.17456	28.1
263.17960	14.3
265.19571	5.0
275.17935	5.4
277.19446	7.3
278.20135	6.4
281.18942	10.0
296.21411	4.3
303.17303	5.1
321.18475	15.9
331.24200	6.4
349.25345	5.3
359.23593	14.8
367.26498	5.6
377.24704	100.0
378.24884	7.4
395.25763	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	396.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	1.3
55.03647	1.2
55.05496	2.6
59.16327	1.1
65.03947	1.8
67.05488	4.6
69.03415	1.9
69.54031	9.1
79.05486	1.7
83.04982	11.2
84.04484	2.5
85.02906	2.2
89.03905	2.6
91.05481	2.2
93.03399	3.1
95.04964	2.6
99.53532	1.2
103.05473	1.8
105.07025	2.7
107.04919	8.6
111.04422	14.1
115.05443	5.0
117.03403	1.6
120.08069	6.2
123.04422	4.0
129.05458	5.4
130.06517	3.3
131.04930	4.8
132.04433	1.8
132.08067	3.0
133.02821	4.4
133.06476	5.1
134.06027	1.6
135.04387	9.4
136.03877	2.4
138.05530	1.4
139.03877	7.1
143.04886	7.1
145.02788	3.1
148.07559	14.8
149.05977	2.6
150.09167	1.7
151.03860	2.8
157.04901	1.5
158.06015	3.0
159.04419	8.1
160.03998	2.3
161.02380	3.0
161.05931	15.9
162.05496	13.6
163.03888	47.7
163.05989	2.1
176.07050	100.0
177.05540	1.9
177.07501	2.9
178.04956	7.2
178.08623	22.0
179.03374	11.0
181.04868	2.0
186.05516	2.1
187.03868	24.2
194.08112	3.5
204.06535	93.6
205.04944	4.9
205.06787	2.1
206.08113	2.0
222.07587	61.8
223.07811	1.5
232.19879	1.3
234.09698	3.8
350.12277	15.1
378.11823	3.5
396.12866	75.7
397.13397	3.4
400.84875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05508	1.2
67.05507	3.5
69.03421	4.9
69.07062	4.9
70.85732	0.8
70.86070	2.2
71.04950	1.3
73.02908	0.9
79.05483	6.0
81.07037	2.5
83.01315	1.8
83.04964	2.1
85.02903	5.8
86.67578	0.6
88.54162	0.7
91.05455	2.5
93.07029	0.8
95.04989	1.7
97.02867	2.6
97.06530	6.3
99.04432	1.1
100.06935	0.7
103.05511	0.8
105.07021	1.3
107.04916	1.2
107.08585	23.5
109.06512	2.5
109.10153	19.4
110.33846	0.7
111.04427	3.2
111.23750	0.7
115.05472	1.3
117.07015	3.3
123.04449	0.9
125.05964	4.3
125.09592	3.6
127.03899	0.9
132.33922	0.7
135.08043	37.1
136.08362	1.3
136.33339	0.8
137.09598	8.2
145.04930	1.1
153.09105	14.3
162.61887	0.7
163.03836	2.2
163.07529	45.8
164.07852	1.6
176.07053	1.7
181.08595	22.6
187.03932	1.4
199.09641	100.0
200.09990	2.0
204.06577	2.2
217.10693	2.9
326.38629	0.9
396.12967	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	396.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01847	0.8
57.03422	3.3
68.23423	0.7
69.03426	14.2
69.07059	12.8
70.86179	2.2
79.05486	1.4
83.04971	18.0
85.02893	3.0
97.02855	1.2
97.06522	16.2
125.05979	75.8
126.06302	1.3
143.07022	100.0
144.07323	2.6
145.04913	1.1
199.09636	15.2
217.10690	28.4
218.10948	1.2
273.49100	0.8
362.50211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.3
56.05022	3.3
57.03427	1.6
57.07067	1.7
60.04517	100.0
65.54913	0.5
67.05498	7.4
67.15277	0.5
68.05019	0.8
69.07056	3.9
69.93934	2.5
71.08623	0.9
71.22449	0.5
72.04488	2.5
74.06070	8.7
78.33216	0.5
79.05464	3.2
80.05022	1.8
81.03401	1.1
81.07052	8.1
82.06580	1.2
82.85821	0.5
83.04970	1.1
83.08610	3.4
84.04527	0.7
88.19920	0.5
90.05563	2.3
91.05492	2.1
93.07020	3.5
94.06553	0.8
95.04968	1.2
95.08591	7.5
97.06515	0.7
97.10178	2.0
98.98459	1.9
102.05530	0.8
105.07014	1.3
107.08592	2.2
109.10146	2.5
111.11705	0.7
112.07622	0.6
119.08589	1.0
121.10163	2.3
122.03668	0.6
123.11713	1.3
133.10139	1.5
135.11710	1.7
137.05957	6.2
137.13295	1.3
140.01083	2.0
149.13313	0.7
194.09276	0.5
195.34874	0.6
233.22816	0.7
242.24739	0.8
251.23627	1.2
262.25320	2.6
263.23657	0.8
280.26355	10.2
281.26764	0.7
298.27368	31.6
299.27838	1.8
396.25122	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	397.1644
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.05495	1.8
66.05515	0.8
67.05490	1.8
69.03420	1.2
69.07062	1.7
70.06590	1.0
71.56159	1.0
79.05479	2.4
80.76336	0.9
81.07067	3.9
90.56741	0.8
91.05482	3.3
93.07022	2.2
94.04171	2.0
95.04971	1.5
95.08603	2.4
97.02856	0.8
97.65151	0.8
103.05470	1.4
105.07014	3.2
106.24653	0.8
107.04966	1.3
107.08608	1.5
107.53695	0.8
108.02048	1.0
109.06528	2.1
109.10149	1.0
110.96772	0.8
112.26001	0.8
115.05458	1.0
117.06991	1.3
119.04969	1.2
119.08584	1.7
121.06528	1.8
121.10179	1.6
122.03620	4.0
123.11738	1.2
128.06213	1.9
129.06976	4.4
131.04910	1.8
131.08537	2.0
133.10110	1.8
134.77559	0.8
135.04427	0.9
135.11719	1.2
136.12221	0.9
137.05963	68.9
138.06319	1.0
141.06987	2.1
142.07750	1.8
143.04849	1.1
143.08551	1.9
145.10175	1.6
147.04387	1.7
147.11700	1.1
149.05983	3.7
149.09637	1.1
151.03900	7.3
151.07568	3.7
153.06891	1.0
155.08563	6.1
157.06456	2.0
157.10126	2.0
158.07269	1.5
159.08092	1.9
159.11723	1.0
161.05988	4.6
161.09608	1.2
163.07532	1.2
165.06992	2.6
167.08524	1.5
169.06502	1.0
170.07207	1.3
171.08073	3.6
173.09660	1.0
175.07507	1.1
175.14786	0.9
177.05473	1.8
177.09062	4.2
181.06416	1.5
183.04573	0.9
183.08041	3.7
185.05908	0.9
185.09627	2.6
187.07585	2.5
188.08250	1.0
189.09108	1.2
195.08089	1.5
197.06015	1.0
197.09593	1.8
198.06821	2.4
199.07549	2.1
199.11574	0.9
200.08336	1.3
201.09148	3.6
202.07834	2.1
203.08670	1.5
203.10693	2.9
211.07530	2.2
212.08298	0.9
213.09065	4.7
215.08665	2.3
215.10748	1.8
216.09349	2.3
217.10175	3.7
219.08041	1.0
221.09528	0.8
225.09097	2.4
227.10680	1.0
228.09343	1.6
229.10045	5.2
230.07364	1.2
231.08031	3.5
231.10182	4.5
233.09694	2.6
233.50612	0.9
235.16901	2.6
239.08473	0.9
241.10168	2.6
243.08009	1.1
243.10181	2.3
244.08868	1.4
245.05885	1.0
245.09634	5.4
245.11649	1.3
246.07066	0.9
246.10403	2.1
247.07495	1.5
248.08165	1.1
255.10156	1.2
256.08710	1.3
257.09586	6.9
258.10333	2.5
259.07465	1.1
259.11307	1.5
260.08365	1.5
261.09073	2.9
262.09955	1.7
263.10739	1.6
269.09607	1.8
271.07608	1.9
273.09113	3.8
273.11584	1.8
274.09845	3.3
275.10675	4.6
277.09210	1.0
277.12225	4.9
279.13583	1.2
281.08005	1.0
285.09058	5.6
286.06677	0.8
286.09912	3.6
287.10614	1.7
289.08643	2.2
289.12183	2.6
290.09402	2.3
290.12592	0.8
291.10150	2.6
291.13654	0.8
292.07516	1.0
293.11685	1.8
297.09109	1.8
301.08609	1.9
301.12122	2.1
302.09329	2.6
303.10181	4.6
304.10818	2.5
305.08646	1.1
305.11658	4.9
306.08731	1.2
307.09583	2.3
307.13400	3.2
308.10272	1.1
314.09372	2.6
315.10022	2.0
316.11197	1.1
317.11679	4.8
318.08893	0.9
318.12314	1.1
319.09689	2.4
319.13129	1.2
320.10355	2.2
321.07813	1.1
321.11264	3.1
322.11765	0.9
323.12558	1.1
329.11844	2.9
331.09570	2.0
333.11044	4.7
334.11902	2.0
335.12802	4.4
337.14450	1.8
339.16031	1.4
346.11975	1.8
347.12796	2.0
348.13589	1.7
349.14111	4.4
351.12271	1.6
351.16113	1.5
354.14307	1.4
361.14398	5.7
367.15314	5.1
379.15347	14.3
379.30084	1.1
397.16483	100.0
397.21878	7.2
398.16858	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	397.1641
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.08124	1.3
55.05495	1.9
56.48108	1.2
67.05482	3.2
69.03429	3.1
69.07033	3.2
69.65731	9.7
71.04960	3.7
72.69797	1.3
73.53939	1.3
73.86027	1.2
79.05467	4.3
81.03416	2.4
81.07026	7.7
85.02891	3.3
91.05473	13.7
93.07021	4.8
94.04170	4.1
95.04939	3.1
95.08611	3.6
97.02900	1.5
98.20776	1.6
103.51928	1.2
105.07037	7.7
106.64462	1.2
107.04932	3.1
107.08593	2.9
109.06496	2.4
109.10127	2.2
111.04429	2.4
111.40250	1.3
115.05385	1.7
117.06992	3.4
119.04899	4.4
119.08566	3.0
121.06485	4.3
121.10141	3.7
122.03654	6.4
123.08064	1.7
125.06006	2.6
127.11179	2.5
128.06163	2.9
129.06989	7.8
131.04962	2.7
131.08530	5.8
133.10120	3.0
134.79948	1.7
135.08058	1.6
135.11674	2.9
136.05222	1.3
137.05966	100.0
141.06978	4.4
142.07774	3.0
143.04939	1.8
143.08560	4.1
144.03008	1.3
144.05666	2.7
145.06412	2.3
145.10089	3.4
146.07169	1.8
147.04410	2.6
147.11691	3.0
149.05969	5.9
151.03909	17.2
151.05026	2.0
151.07529	13.4
152.06177	1.9
153.06909	3.4
154.07764	2.0
155.08556	8.6
156.09377	1.9
157.06532	3.0
157.10112	6.2
158.07196	2.7
159.08063	5.8
159.11734	3.4
161.05952	13.1
161.09601	4.0
161.13228	2.9
163.07466	2.7
165.06985	5.7
167.08539	3.4
169.06433	2.7
169.10135	3.0
170.07318	2.4
171.07991	3.8
171.11777	2.0
172.05205	1.5
172.08794	5.0
173.09676	2.8
175.07527	6.3
177.09044	9.8
179.08403	1.9
181.06473	4.3
181.10150	2.2
182.07236	9.4
183.08067	4.3
183.11702	2.7
184.08772	3.3
185.05980	4.5
185.09595	13.4
187.07501	6.6
187.11185	3.0
189.09117	3.4
189.12741	2.9
191.07024	6.6
192.09447	1.4
195.08087	3.4
195.11676	2.4
197.05971	2.8
197.09563	11.9
197.13338	1.7
198.06761	14.5
199.07484	9.7
199.11205	1.9
200.08263	3.6
201.09064	4.6
203.08725	1.5
207.11725	2.7
209.09622	2.7
209.13196	1.8
210.06792	3.8
211.07509	4.1
211.14830	1.7
212.08284	5.0
213.09096	25.2
215.06996	1.7
215.10603	9.2
215.22037	1.3
217.10254	2.0
221.09673	1.9
223.14758	2.3
225.09091	15.9
227.10661	3.2
231.07994	2.6
233.09476	2.4
241.12885	1.5
242.09454	2.2
243.07968	2.7
243.10182	20.4
243.17294	1.6
248.08195	1.4
255.10153	7.3
257.09543	2.8
259.07550	2.5
260.08167	1.8
261.09164	3.9
263.07239	1.8
265.08521	3.1
271.07535	3.4
272.08005	1.6
273.11237	75.0
275.10681	3.7
275.17944	2.0
276.07822	3.6
277.08536	3.9
277.12146	2.2
278.09280	2.2
279.10257	1.7
285.09070	2.9
286.09921	1.9
287.07059	2.8
287.10254	1.6
288.07596	1.9
289.08557	4.2
289.12012	3.3
290.09277	3.3
291.10168	5.0
292.07339	2.9
293.08322	2.3
293.11484	3.1
293.19006	7.2
302.09509	1.9
303.06949	2.0
303.10245	5.7
305.11731	2.8
306.08893	3.3
307.09714	9.8
308.10269	3.2
309.11377	2.5
311.20053	3.1
317.11807	3.4
318.08752	1.7
318.12225	1.9
319.09622	3.1
321.11224	6.5
322.11819	3.0
325.10556	4.0
333.11200	3.5
334.11951	2.5
335.12704	6.9
336.13638	2.3
339.12021	4.1
348.13470	1.6
349.14352	8.0
351.12253	12.0
353.13885	3.8
354.14563	22.2
361.13977	3.5
365.13724	2.0
367.15335	6.8
379.15320	11.0
397.16412	78.4
397.31149	3.2
398.17050	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	397.1642
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
57.03417	1.2
69.03414	1.6
69.69231	2.5
69.69646	4.5
76.68806	0.9
79.05470	2.5
81.07045	1.7
85.02887	2.8
88.73018	0.9
91.05474	9.6
94.04185	2.3
95.04925	1.0
97.02885	1.1
98.21389	1.6
103.05466	3.6
105.06982	1.7
107.04904	1.8
109.06509	3.0
111.04421	1.2
115.05437	2.0
116.06270	1.0
117.07005	1.5
119.04908	6.0
121.06471	1.0
122.03635	6.4
124.05246	1.3
128.06233	3.2
129.06970	6.7
131.04901	4.2
131.08517	4.8
132.05696	1.2
133.10149	1.6
136.05185	1.1
137.05962	98.9
138.06268	1.9
141.06987	4.5
142.07764	2.7
143.08510	2.1
144.05678	3.4
145.06476	2.2
146.03670	1.3
147.04362	2.8
147.08080	1.3
149.05988	5.2
151.03925	1.2
151.07527	15.4
153.06956	2.3
155.08563	4.2
157.06480	3.6
157.10126	1.4
158.07263	3.0
159.08055	6.0
160.05168	1.3
161.05949	15.6
161.09601	4.3
163.07530	2.8
165.06993	4.7
167.08559	3.4
169.06502	3.8
170.07272	1.3
171.07971	4.8
172.08842	4.1
173.05991	1.1
173.09615	2.8
175.07536	5.5
179.10616	1.5
181.06445	3.5
182.07266	9.0
183.04431	1.5
183.08025	5.7
184.05188	2.6
184.08833	4.6
185.05974	2.2
185.09633	9.0
186.06810	1.6
186.09976	1.3
187.07520	8.0
187.11201	3.1
189.09082	3.1
189.12811	1.6
191.07001	4.2
194.07278	2.0
195.08081	2.5
197.05949	1.9
197.09583	9.1
198.06723	17.0
199.07501	9.4
199.11209	1.9
200.08302	3.0
201.09061	3.6
203.08636	2.2
203.10593	1.3
205.08563	2.8
209.09625	1.6
210.06758	5.1
211.07559	4.0
212.08363	6.0
213.09091	21.0
213.11171	1.1
214.09683	1.4
215.08650	1.9
215.10596	7.9
216.09454	1.6
217.08571	3.5
217.10347	2.0
217.15800	5.3
219.08235	1.5
222.06984	1.1
223.07648	1.1
224.08374	1.8
225.09085	15.1
225.11115	1.5
227.10652	1.7
228.07831	1.8
229.08403	1.5
229.10347	1.6
231.08029	2.6
231.10054	2.0
232.08795	1.3
233.09598	1.9
235.16866	1.5
238.16713	1.0
240.07780	1.9
241.71489	1.0
242.09444	1.9
243.07994	2.0
243.10136	26.1
245.09570	4.0
245.11748	2.4
246.06720	1.0
246.10503	1.5
247.07591	2.4
248.08362	2.5
249.09076	1.8
255.10248	7.1
257.09561	3.0
258.06705	1.8
259.07608	1.7
259.11261	1.3
260.08316	3.0
261.09076	4.0
262.06244	1.0
262.09683	1.4
263.10641	2.1
264.07834	2.8
265.08569	3.1
271.07538	3.3
273.11206	84.8
274.06427	1.2
274.09406	1.8
274.11945	1.4
275.07312	1.1
275.10675	4.3
276.07898	2.5
277.08609	4.3
277.12283	2.1
278.09421	2.5
285.09152	3.4
286.09943	1.3
287.07141	2.1
287.10556	2.2
288.08200	1.4
288.11578	1.1
289.08621	4.0
289.12173	2.6
290.09189	2.5
291.10141	9.4
292.07379	3.2
292.10648	1.9
293.08069	3.6
293.11771	3.4
294.08713	1.4
301.08521	3.2
301.12000	1.3
302.09363	2.8
303.10065	7.1
304.10764	1.9
305.07999	2.8
305.11755	4.5
306.08881	3.4
307.09637	12.0
308.10220	5.5
309.11185	1.6
315.10114	2.3
317.11670	4.3
318.08844	1.2
318.12372	2.3
319.09613	3.3
319.13235	2.0
320.10410	3.4
321.11191	7.8
322.11969	1.4
323.12872	1.5
325.10666	3.2
331.09619	1.8
333.11118	3.8
334.11908	3.0
335.12741	5.8
336.13510	2.9
337.14252	2.3
339.12259	2.5
346.12061	2.2
347.12817	1.6
349.14197	8.0
351.12204	10.8
353.13754	4.2
354.14594	18.8
361.14514	1.9
366.14365	2.4
367.15247	6.7
379.15387	13.8
382.41684	1.1
397.16449	100.0
397.21533	4.7
398.16730	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	397.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05499	13.6
56.77242	1.4
57.06818	1.5
57.07068	17.7
65.03947	1.3
65.09003	1.3
67.05494	26.6
69.06712	2.2
69.07057	29.4
70.71557	3.2
71.08627	16.3
79.05475	14.4
81.07042	57.0
83.08605	19.3
85.10175	11.3
91.05472	14.6
93.07031	25.1
95.08589	53.9
97.10137	11.6
105.07014	29.4
107.08575	23.3
107.62454	1.4
109.10139	40.6
110.67657	1.4
111.11717	9.9
117.07014	2.4
119.08560	24.5
119.54971	1.3
121.10131	22.9
123.11688	16.4
125.13261	3.5
131.08513	3.8
133.10114	18.5
135.11659	37.7
136.12030	1.3
137.13226	6.3
137.70599	1.3
145.10092	6.4
147.11664	63.3
148.11954	1.6
149.13231	19.1
151.14832	6.2
159.11679	4.3
161.13226	45.1
161.14586	2.2
163.14781	7.3
165.16370	4.1
173.13258	2.6
175.14795	20.4
177.16391	3.8
179.17914	1.5
187.14827	3.4
189.16383	12.1
191.32428	1.5
201.16379	5.7
203.17923	9.7
215.17889	12.5
217.19499	6.8
221.22772	2.6
229.19495	5.3
232.79446	1.4
233.22549	2.1
243.21059	8.1
247.24170	3.6
257.22571	8.6
259.24292	1.8
261.25815	5.5
271.24323	1.9
275.27295	2.6
287.27347	5.7
301.28970	3.8
315.30487	6.0
397.38242	100.0
398.38428	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05507	13.0
57.07073	16.3
65.03917	1.6
67.05497	25.4
67.60016	1.2
68.77546	1.6
69.06713	2.5
69.07061	26.2
69.85436	2.7
69.85845	6.7
70.87446	1.3
71.08630	15.6
75.69546	1.2
79.05487	12.5
81.07050	55.8
83.08624	16.2
85.10178	13.3
91.05482	15.9
93.07037	28.8
95.08599	49.6
96.40872	1.6
97.10162	13.3
99.11735	1.8
105.07018	29.9
107.08582	22.3
109.10148	42.9
111.11703	10.1
118.47871	1.5
119.08570	24.5
121.10130	17.7
123.11695	16.4
125.13247	3.1
131.08571	3.8
131.11539	1.4
133.10109	21.2
135.11681	39.2
137.13293	7.6
145.10156	3.5
147.10486	2.9
147.11665	58.1
149.13237	17.5
151.14825	4.3
159.11682	7.0
161.13246	49.1
163.14822	7.1
165.16388	3.1
173.13258	3.6
175.14804	19.8
177.16385	3.3
179.17914	1.7
187.14830	4.1
189.16339	10.9
201.16411	7.0
203.17995	8.5
215.17941	12.3
217.19507	3.9
221.22772	2.6
221.81343	1.5
229.19508	6.4
243.21037	7.6
247.24220	2.3
257.22678	5.9
261.25690	3.5
271.24213	2.1
273.25818	1.7
275.27191	3.6
287.27316	6.1
299.27325	1.5
301.28940	3.2
315.30563	4.9
341.32004	1.6
360.15979	1.6
397.38278	100.0
398.38669	4.2
406.96573	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	398.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05505	4.7
55.54419	1.9
56.05031	3.9
65.03923	7.8
67.05492	6.0
69.03419	8.8
70.82452	3.6
70.82833	4.5
79.05508	2.0
81.03416	2.5
83.04977	31.8
84.04501	19.1
85.02878	14.9
85.79287	2.1
87.04446	3.9
89.03899	7.7
91.05470	8.5
93.03400	9.2
95.04958	5.3
97.02866	4.5
98.97612	2.9
103.05428	2.5
105.07042	6.0
107.04935	34.2
111.04429	31.9
115.03921	4.8
115.05428	6.2
117.03385	4.9
117.07001	12.0
118.06596	2.6
119.04946	11.8
120.08086	2.4
121.02833	5.2
123.04410	14.6
126.05499	2.4
127.03928	3.0
129.05449	16.1
132.08083	12.8
133.04964	6.2
133.06468	9.0
135.04390	24.3
135.05304	3.3
137.05943	3.5
139.03874	18.7
143.04922	6.3
145.02831	8.0
145.06462	28.8
146.05980	5.6
147.04398	39.8
148.07561	10.6
149.08328	13.6
150.09087	3.2
152.07030	3.1
157.04921	11.3
160.07556	31.5
161.02361	5.5
161.05957	24.8
162.09122	6.6
163.03880	99.4
163.06004	4.3
163.07555	8.8
164.04268	2.7
164.07098	7.1
165.05466	9.0
171.04398	2.5
175.06036	8.7
175.07399	2.9
175.27037	2.2
176.07028	2.9
178.04990	2.3
178.08647	20.1
179.09041	2.3
181.05055	2.8
188.07022	39.0
189.05452	25.4
204.06602	2.2
206.04501	9.8
206.08116	100.0
207.02898	9.6
207.06500	3.0
224.09180	25.6
236.09056	2.7
296.25058	2.1
309.09781	2.5
327.07425	4.3
334.12796	2.5
337.09116	9.6
380.13364	21.1
398.09842	4.3
398.14471	67.6
399.14972	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	398.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31779	1.9
52.42122	1.9
55.01871	4.7
55.05495	7.8
56.05022	6.0
65.03922	7.2
67.05496	22.4
69.03427	11.4
70.06565	4.8
71.52562	2.8
72.84188	2.0
79.05503	5.1
79.39151	2.0
81.03413	2.2
81.07047	7.5
83.04973	43.0
83.08602	3.7
84.04494	26.3
84.08150	2.4
85.02887	14.7
89.03910	2.8
91.05477	14.9
93.03408	12.0
93.07037	3.8
94.06606	2.0
95.04962	10.5
95.08610	5.6
97.02888	2.3
99.04464	2.4
100.07629	2.6
100.11244	6.9
102.05523	4.8
105.07037	10.0
107.04943	57.9
107.08555	2.8
108.08094	2.4
109.02876	2.2
109.10143	35.3
111.03696	4.2
111.04430	59.3
113.40965	1.9
115.05434	5.8
117.03318	3.2
117.06986	7.9
118.06525	2.2
119.04935	24.0
119.08593	2.3
121.02835	8.1
121.06514	4.5
121.10116	3.4
123.04398	6.9
123.51566	2.0
125.05960	7.5
129.05496	25.0
132.08086	13.8
133.06458	14.2
134.06004	5.7
135.04411	26.1
136.07545	5.8
137.05934	4.8
137.09612	24.9
139.03880	30.1
143.04922	4.4
143.07016	7.0
145.02853	4.6
145.05370	3.5
145.06465	24.5
146.05994	19.1
147.04399	65.9
147.06503	3.6
147.08040	3.5
148.04677	2.2
148.07539	20.4
149.08379	15.4
150.09106	7.3
155.10666	14.4
157.04956	27.8
160.07561	53.2
161.05965	18.4
162.05527	7.0
162.09100	20.5
163.03891	50.6
163.07478	5.5
164.07036	7.8
165.05505	4.5
165.09097	20.7
166.80241	2.0
167.73409	2.2
171.04417	8.2
173.04633	2.8
173.11729	13.7
175.06026	13.3
178.08585	14.3
180.06450	2.1
180.18755	2.2
181.04924	5.0
182.15390	4.3
183.10156	13.6
188.07043	100.0
189.05482	19.0
189.07167	4.3
201.11195	40.3
203.05438	4.3
206.08116	91.0
207.06505	4.2
207.08307	4.8
210.14838	6.0
219.12282	11.2
224.09152	23.1
274.11383	2.4
276.10791	6.6
279.71890	2.6
291.08588	2.6
309.09662	2.3
334.12650	5.3
337.09140	18.3
352.13708	3.0
380.13330	40.8
381.13034	3.7
393.01166	7.9
398.14355	87.3
398.32111	4.0
399.14883	8.4
411.02280	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.5
55.05510	2.1
56.20528	1.9
67.05490	12.5
69.03436	2.5
70.06543	2.3
70.68007	3.1
70.68360	4.3
79.05506	2.7
81.07046	16.4
85.02885	2.7
91.05453	2.0
93.07001	3.0
95.08598	10.4
99.04419	2.3
99.08055	2.2
107.08538	2.1
109.10143	68.9
111.04446	7.1
119.08567	5.7
121.10126	5.6
125.05960	6.6
137.09599	70.2
145.02859	4.2
147.08031	8.6
155.10637	39.4
157.43669	2.0
165.09093	72.7
167.00896	2.0
177.05460	3.6
183.10141	47.2
201.11192	100.0
202.11671	2.6
219.12212	22.8
261.91083	1.9
304.91940	2.1
358.18445	2.0
362.72131	2.3
380.94650	2.3
420.32516	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49782	5.2
67.05492	18.5
69.60136	29.6
78.26567	4.2
81.07044	17.3
95.08588	11.6
109.10143	84.0
111.04441	6.3
125.05965	7.3
137.09601	74.6
147.08044	7.8
155.10631	42.6
165.09091	68.1
183.10156	62.0
201.11209	100.0
201.64809	5.6
219.12242	36.6
221.93637	4.2
243.51108	4.2
291.22488	5.7
301.72266	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	399.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.3
56.27269	1.7
57.07063	4.6
67.05509	10.2
68.44902	1.5
69.07060	12.7
69.86980	1.6
70.48757	2.0
70.49111	5.5
71.08635	2.3
76.25308	1.5
79.05486	10.4
81.07053	27.0
81.93954	1.8
83.04971	1.5
83.08615	6.1
87.04475	3.6
91.05463	8.6
91.43878	1.5
93.07033	26.6
95.08599	37.7
97.10168	3.6
99.08089	6.9
105.07022	16.7
107.08578	30.0
109.10139	15.9
113.09633	3.4
119.08570	16.6
121.10126	19.3
123.11674	9.0
131.08566	2.0
133.10124	8.6
135.11684	9.7
137.13229	3.8
145.10114	5.7
147.11617	8.7
149.13239	100.0
150.13545	2.9
159.11661	4.1
160.22081	1.6
161.13248	31.3
163.14813	7.3
175.14796	8.2
177.16461	1.7
180.49397	1.9
187.14862	2.1
189.16333	2.6
201.16371	6.0
203.17953	2.2
215.17996	6.4
229.19717	2.4
243.21053	3.6
249.22125	9.4
257.22580	3.7
399.26031	2.4
399.30804	24.5
399.36237	26.6
399.43784	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	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.03431	3.3
61.95114	1.1
65.03918	1.9
67.05501	2.3
68.34599	1.1
69.03414	2.5
70.06583	2.8
70.70267	1.5
70.70607	3.3
83.04977	11.8
84.04514	1.2
85.02922	3.6
89.03909	1.7
91.05470	4.4
93.03392	3.8
95.04974	2.9
97.02802	1.7
98.21389	1.3
103.05470	2.0
105.48022	1.2
105.80233	1.3
107.04951	2.2
111.04452	12.1
115.05466	3.3
117.03355	4.2
117.07020	19.9
119.04987	1.3
121.02819	1.4
121.06506	2.8
123.04429	21.6
123.74110	1.2
129.05489	4.1
131.04907	6.4
135.04410	10.1
135.08075	1.8
137.05992	5.0
138.05498	13.5
139.03909	7.6
145.02846	5.3
145.06476	41.9
145.07616	2.3
146.06837	2.3
147.04416	7.2
148.10774	1.4
149.05975	15.2
157.04988	3.1
161.06030	1.7
163.03899	100.0
163.07526	38.9
164.04280	4.6
165.04308	2.8
165.05559	10.8
167.03415	4.8
167.07019	7.9
173.05994	6.5
173.62506	1.2
175.06059	2.0
178.08710	1.7
180.06598	3.4
181.04941	3.1
189.05603	1.7
190.05070	2.1
190.08784	1.8
191.03386	4.3
191.07033	48.3
206.08199	5.3
207.08542	3.1
208.06059	22.6
208.09787	13.5
209.04504	5.4
209.08080	58.1
224.09349	1.4
225.09576	1.3
226.07465	1.5
226.10614	1.3
382.15259	2.3
383.09686	2.5
400.15918	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	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.5
56.96542	2.7
57.03433	11.9
61.02919	15.7
66.45058	2.2
67.05472	3.5
69.03415	26.2
69.41820	2.1
70.06557	7.2
70.15945	11.2
71.04968	5.8
71.45224	2.2
73.02910	65.4
78.40569	2.2
81.03392	6.8
81.07013	5.6
83.04950	4.5
85.02898	100.0
86.09689	4.2
87.04463	3.9
91.03922	5.3
91.05455	2.7
95.04964	2.8
97.02882	43.2
97.06522	3.5
99.04432	3.5
102.86427	2.2
107.04942	40.2
107.08561	2.7
109.02856	8.4
111.04415	4.8
115.03921	19.4
127.03901	30.4
127.61082	2.3
133.04958	28.6
137.05968	5.2
145.04947	56.0
145.06190	3.0
145.06592	2.8
147.04376	5.6
149.09610	3.1
163.03807	3.0
163.06003	27.8
181.04988	6.5
191.07011	4.3
221.11768	3.2
223.06052	3.9
238.14313	5.1
241.06967	4.0
254.84619	2.5
259.08051	4.6
401.13867	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	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05495	2.1
56.96572	1.7
57.03424	4.7
61.02909	2.4
62.06070	1.5
64.93682	1.4
65.03944	1.3
66.79541	1.1
66.84225	1.2
67.05500	2.5
68.50513	1.3
69.03417	11.9
69.66360	8.5
69.66788	1.8
70.06586	3.5
70.36474	1.2
73.02922	9.7
79.05494	1.8
83.04981	3.2
83.08598	1.4
84.04471	1.8
84.08112	1.3
84.46906	1.2
85.02898	24.0
86.09691	1.7
87.04462	4.5
91.05470	3.6
93.03419	2.5
93.07038	1.6
95.04944	1.7
97.02879	13.8
100.11217	1.7
107.04956	8.7
107.08565	1.8
109.02856	1.8
109.06503	1.2
111.04447	5.1
115.03925	10.1
117.06969	1.6
119.04946	4.4
123.04385	1.5
127.03909	4.7
129.05505	2.2
133.04961	9.6
133.10213	1.2
135.04384	3.5
135.08011	1.7
137.05997	2.3
139.03888	2.6
145.04924	8.0
145.06456	4.6
147.04364	8.8
157.04933	1.6
163.03905	1.7
163.05998	4.1
163.07500	2.6
167.06964	2.8
168.43834	1.2
173.05936	2.6
180.06496	1.7
181.04855	1.3
182.15392	2.8
183.15746	2.6
191.07011	3.1
210.14850	2.4
211.15314	3.2
231.09081	2.6
238.10880	1.7
239.08868	100.0
253.10979	4.7
257.07117	2.3
275.07742	2.1
338.21530	3.0
355.23880	1.6
382.14313	1.7
400.15582	5.4
401.14169	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00555	3.9
56.96554	14.5
69.52348	9.7
69.52769	23.7
75.08161	3.7
97.02837	4.0
98.21484	5.4
98.97573	92.0
116.98615	89.9
119.01910	7.9
134.99637	63.2
153.00647	9.7
159.04497	4.6
177.00990	9.0
179.00793	4.0
216.98767	5.0
219.02028	16.6
220.02116	6.4
221.01711	7.7
234.99850	11.2
236.99875	6.9
252.97375	4.0
256.96393	9.0
258.99783	68.9
260.00006	6.1
260.99774	14.8
261.03055	15.7
262.03177	6.4
263.02905	8.6
272.94363	11.4
274.97519	50.3
275.97806	9.7
276.97757	11.8
277.00781	100.0
278.01031	9.9
279.00781	15.8
280.00970	4.8
282.99911	33.3
283.99924	6.0
284.99719	21.5
292.98575	35.7
293.99255	4.7
294.98489	6.8
299.98642	3.9
300.02505	7.5
300.97559	11.0
301.00998	67.6
302.01154	11.8
303.00824	45.9
304.00922	7.6
316.98834	13.9
318.98636	34.2
347.96329	5.2
356.96805	7.6
359.01514	15.6
376.99066	15.9
396.94559	11.4
401.01483	18.2
403.00925	4.8
414.95456	7.9
421.44788	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	401.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	26.9
64.16630	17.9
65.34425	16.0
73.91982	15.9
81.07030	28.9
86.09690	21.4
91.05486	22.0
105.07037	19.2
107.08629	20.2
109.10146	28.6
119.04902	50.9
147.04411	100.0
167.07043	29.1
179.10532	21.1
207.13870	19.6
221.19058	20.2
383.15045	27.3
401.16141	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	401.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92267	0.5
63.08485	0.5
69.35531	5.1
71.40076	0.5
79.59295	0.6
95.94260	0.6
98.20723	1.1
121.47045	0.7
225.19511	0.6
231.08966	0.7
239.08884	100.0
240.09160	3.2
382.59381	0.5
401.14191	30.8
402.14240	0.8
414.05890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	0.7
61.02900	0.6
69.03394	1.6
70.06570	4.3
71.53146	1.1
73.84710	0.5
73.87840	0.6
75.80226	0.5
79.05466	0.7
81.03398	0.7
81.07050	0.9
83.04967	0.7
84.08135	1.0
85.02870	2.6
86.09635	0.7
89.03914	0.9
93.68925	0.6
95.04961	0.7
95.08576	0.6
97.02873	1.1
97.06481	1.0
98.97523	0.7
99.04384	0.6
105.07014	0.7
107.04944	2.8
107.08554	1.1
109.02831	0.8
111.04401	0.7
117.03283	1.2
119.01849	0.5
121.10075	1.0
123.04394	0.7
123.08028	1.0
127.03913	0.8
131.04869	0.6
132.95815	0.5
135.04353	1.7
139.03885	1.1
145.02820	0.9
147.04382	0.9
161.03032	0.6
163.03880	8.2
164.04199	2.5
172.35762	0.6
177.00574	0.7
177.05429	2.3
181.04865	4.0
183.05064	1.0
185.04167	3.9
186.05408	1.0
201.06009	0.9
219.07088	0.6
221.11774	0.6
239.08856	100.0
240.09140	2.6
249.28462	0.8
255.10646	0.8
259.06555	0.7
275.09564	0.8
299.09637	1.2
325.13269	1.2
327.09015	1.0
343.14063	0.8
344.15036	0.7
345.10147	1.4
355.11755	0.8
401.14084	49.0
402.14661	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.1
55.76269	1.0
59.06574	1.2
66.42814	1.1
67.05494	3.2
69.03432	1.7
69.07061	1.7
70.06580	1.8
71.04967	1.2
71.56526	1.5
79.05492	3.4
80.32048	1.0
81.07040	3.4
84.04477	1.5
85.02901	1.7
91.05489	2.3
93.07027	3.2
95.04958	3.0
95.08591	2.2
97.06506	1.4
103.34565	1.0
105.06976	1.8
107.04338	1.0
107.04942	6.3
107.08570	2.0
108.81204	1.1
109.10134	1.6
115.05463	1.3
117.06970	1.2
119.08578	1.4
120.08083	1.3
121.06474	2.3
121.10149	2.5
129.07019	1.2
131.04903	1.2
131.08563	2.3
133.10176	1.4
135.07994	1.1
137.05936	1.5
141.06921	1.2
144.05690	1.3
145.06563	1.6
151.07573	1.0
153.06908	1.0
156.05708	1.2
159.08055	2.9
161.05997	1.6
165.06985	1.8
167.07028	14.7
181.04980	1.2
181.10265	1.1
187.07573	2.9
189.07086	1.1
189.09122	1.2
191.08531	2.4
194.07208	2.4
195.08067	2.0
205.08572	2.3
207.06364	1.2
207.08121	2.5
208.05196	2.4
208.08876	1.3
209.09674	2.4
210.06703	1.5
217.08633	3.4
218.07242	2.0
219.08081	6.3
220.08774	1.7
221.05954	3.1
221.09470	1.5
221.15306	1.6
222.06799	4.6
223.07513	2.1
224.08293	1.4
225.09033	2.1
226.06261	1.6
227.07222	1.3
231.08118	1.4
233.05981	1.3
233.09705	1.8
234.06741	1.8
235.07504	4.1
236.08266	7.1
237.09061	4.2
238.06288	2.2
239.07065	3.2
247.07503	5.5
247.09705	2.0
248.08305	3.3
249.09004	2.1
250.06178	4.8
251.07050	2.9
251.10698	2.0
252.07773	8.7
253.08614	3.0
254.09393	4.8
254.11902	1.2
256.07263	3.0
261.09048	2.2
262.09943	1.2
263.07098	2.6
263.10587	3.0
264.07751	6.9
265.08618	9.0
266.05646	1.7
266.09363	1.6
267.06516	3.0
267.10217	2.0
269.08105	9.7
271.09576	2.0
275.07047	2.4
276.07703	2.1
277.08582	2.9
278.05753	2.1
278.09412	2.5
279.06747	2.1
279.10165	4.9
280.07352	4.9
280.10922	1.0
281.08112	3.7
281.11340	1.4
282.08728	6.2
283.05927	1.4
283.09711	2.2
284.06750	2.2
285.07471	1.0
291.10184	2.5
292.07294	2.5
293.08267	5.5
293.11270	1.3
295.09656	3.6
297.07535	4.9
297.11227	8.8
298.08273	3.5
299.05756	2.3
299.09128	33.2
300.09579	1.3
305.08109	2.2
306.08884	1.3
307.09537	4.9
308.10562	1.4
309.07578	2.3
309.11053	2.4
310.08273	5.4
311.09128	7.8
311.12317	1.8
312.09753	1.4
313.07141	2.3
313.10645	25.7
315.08643	8.0
319.09503	2.7
321.07672	1.7
321.11157	2.1
322.12057	1.5
323.09070	3.7
323.12827	4.7
324.09863	2.2
325.10699	11.5
326.11441	3.2
327.12204	3.8
330.10950	8.2
331.11600	1.3
336.09698	1.4
337.10654	4.3
338.11295	1.2
339.12192	10.1
340.13287	1.9
341.13794	3.7
342.10825	1.3
343.11752	27.7
344.12314	1.3
348.24826	1.1
350.11505	1.3
351.12177	9.4
352.12930	1.2
353.13705	2.6
355.11899	2.2
357.13208	2.4
358.14066	100.0
359.14560	5.1
368.12466	3.4
369.13266	14.1
370.13754	3.1
371.15005	3.5
383.14847	23.0
401.16083	14.7
401.28406	2.9
403.49521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30936	10.4
53.03941	12.5
55.01863	10.1
55.05499	35.4
56.05019	8.8
57.03424	8.7
57.07055	13.1
67.05493	39.3
68.99788	13.6
69.03419	61.5
69.07061	67.1
70.01748	9.4
71.04973	39.4
71.08664	8.2
71.54361	13.9
75.76786	7.6
78.04712	9.8
79.00645	8.6
79.05471	64.4
80.80301	7.6
81.03398	27.5
81.07043	100.0
83.04964	16.1
83.08629	21.9
85.02899	43.0
87.00813	25.4
91.05470	46.3
93.07031	57.7
95.04946	28.3
95.08570	53.4
97.02879	26.0
97.06545	19.0
99.04440	14.9
99.08070	11.7
103.03944	12.3
103.05534	9.6
105.07005	63.0
107.04921	24.3
107.08588	62.7
109.02869	17.5
109.06509	64.7
109.10103	47.8
111.04382	11.7
115.03913	16.4
117.06996	16.3
119.08549	58.0
121.06506	35.5
121.10116	28.5
123.04435	14.7
123.11700	24.3
127.03897	26.1
128.06189	11.0
129.06978	14.3
130.07758	8.6
131.04916	11.7
131.08563	34.9
132.53224	8.4
133.10112	21.1
135.08038	17.7
135.11708	44.4
137.06004	28.7
142.07634	8.1
143.08531	15.9
145.10078	29.7
147.08046	20.5
147.11684	24.6
149.05943	9.5
149.09586	12.1
149.13275	11.6
151.11214	16.7
153.12753	9.1
155.08492	10.1
159.08043	14.8
159.11662	24.3
161.05940	10.9
161.09747	13.3
161.13229	10.4
163.11128	12.3
164.95828	7.8
165.09131	26.1
165.12694	22.6
167.06998	58.4
171.11711	11.3
173.09595	21.2
175.07539	9.2
177.12737	23.6
185.13205	7.9
187.07584	11.5
189.12672	9.5
191.10645	20.7
195.06529	9.7
195.13853	13.3
205.08598	12.2
208.05144	10.6
217.08566	28.6
219.13733	14.0
231.08284	10.1
261.14954	21.1
269.08090	15.4
282.08688	9.6
291.09900	9.4
315.08633	37.3
330.10910	35.4
332.74103	8.2
335.22678	17.8
351.12097	11.2
353.23868	43.3
365.23495	16.1
371.14932	9.6
383.14844	33.2
383.25098	9.2
401.08926	30.7
401.17346	32.5
401.26013	59.7
401.30814	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.03463	0.8
60.76981	0.4
61.01121	0.4
65.03923	0.5
65.46324	0.4
68.99803	1.2
70.06584	100.0
70.26546	1.5
70.26954	1.1
71.06911	0.9
78.77596	0.5
79.05484	1.0
81.07037	1.1
83.04974	1.1
86.63670	0.4
91.05466	0.7
93.03392	0.5
93.07038	0.8
95.04939	0.8
103.05473	1.3
105.06953	0.6
107.04945	2.3
111.04426	1.1
117.03366	0.5
119.04922	0.5
121.02918	0.8
121.06486	2.3
123.04386	1.2
131.04910	1.1
133.60402	0.5
135.04411	4.8
139.03883	12.5
139.04858	0.8
145.02898	0.7
147.04463	0.8
149.05965	4.8
154.04962	0.5
159.04419	1.7
163.03868	9.9
164.04393	0.4
165.05493	0.9
177.05453	54.9
178.05858	1.1
179.03360	0.5
181.04944	2.9
189.05501	1.0
205.04932	0.6
210.03970	0.6
234.11139	3.8
304.13913	0.8
327.08636	0.9
345.09668	10.8
402.15424	42.1
403.15781	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	402.1539
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
53.58345	0.5
54.03447	0.6
55.01864	0.6
56.14491	0.4
57.25912	0.4
60.44500	0.4
65.03940	0.4
68.99787	1.1
70.06583	100.0
70.70795	0.8
70.71157	0.9
71.06927	0.9
74.51541	0.4
79.05488	0.8
81.07057	1.0
82.03631	0.5
83.04971	0.8
89.03919	0.7
91.05484	1.2
93.07036	0.9
95.04927	0.5
103.05457	0.9
107.04913	2.4
111.04430	0.8
120.04495	0.5
121.02828	0.5
121.06499	2.4
121.22956	0.4
123.04401	0.6
131.04912	0.7
135.04396	4.3
139.03886	11.9
145.02866	1.1
147.04446	0.6
149.05951	5.5
152.09668	0.5
159.04431	0.9
163.03891	9.4
163.15640	0.5
164.04347	0.6
165.05492	0.8
175.07562	0.8
177.05446	58.2
178.05847	1.1
181.04907	3.2
189.05450	0.8
207.06499	0.7
233.45602	0.4
234.11221	3.3
295.22388	0.5
327.08588	0.6
345.09631	12.5
402.15396	42.4
403.15857	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	403.1385
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
50.34989	1.0
53.03927	1.2
55.01868	31.1
55.05495	6.2
56.01933	0.9
57.07092	1.2
65.03922	4.7
67.05495	5.3
69.03407	3.0
69.07050	2.9
71.04965	1.0
79.05479	7.0
80.33870	1.0
81.03417	1.6
81.07041	7.5
82.04156	1.4
83.04935	1.6
83.08597	3.6
85.02878	3.5
85.06513	1.4
91.05495	6.6
93.03375	1.0
93.07030	5.8
94.04165	3.3
95.04929	4.4
95.08585	4.0
97.02888	1.5
97.06518	2.7
100.07588	1.5
100.11245	8.0
103.04861	1.5
103.05461	19.2
105.07014	5.2
107.04953	7.7
107.08566	3.9
109.06458	1.6
109.10124	2.8
110.03635	2.1
111.04431	5.2
115.05435	4.1
117.06989	4.1
119.04901	3.0
121.06476	3.8
121.10110	3.0
122.03642	10.0
122.80849	1.1
123.04396	3.4
123.08103	1.4
123.11614	1.1
124.05170	1.2
125.05958	3.2
129.06998	3.7
131.04915	26.2
131.08565	1.7
133.06459	4.0
133.10086	3.0
135.08002	1.4
137.05959	100.0
138.06256	2.5
139.03789	0.9
141.11456	2.2
142.02570	1.6
143.08543	1.2
145.06458	8.9
146.07275	1.4
147.04384	2.7
147.11681	1.8
149.05934	4.1
149.13173	1.5
151.03883	12.8
151.04968	2.1
151.07462	1.4
153.05479	5.5
155.07076	2.5
157.10114	1.5
159.04347	4.7
159.08070	1.4
160.91287	1.4
161.05968	5.0
161.09599	2.3
163.07521	5.5
165.09012	2.1
167.07019	25.9
171.06461	3.3
173.05963	6.0
174.06813	1.2
175.03864	3.2
175.07451	2.4
176.04663	2.0
177.05467	9.5
179.06995	3.8
181.03328	2.4
181.04935	47.6
181.08485	1.8
182.05225	1.2
182.15411	4.5
183.06496	1.6
189.05458	4.5
189.09128	4.8
191.07016	16.1
193.08551	1.7
194.05734	3.8
196.07384	1.3
205.08536	4.4
207.06497	7.7
208.07268	2.9
209.08083	7.8
210.14880	4.7
217.08525	2.1
217.12204	1.4
219.06488	10.2
221.08055	3.4
221.11659	7.2
223.09590	7.0
233.08087	6.6
241.21468	1.2
249.07587	1.4
249.11218	9.2
251.09117	32.2
289.10611	8.7
308.56702	1.2
314.11258	1.2
317.74756	1.3
362.07782	1.1
373.12775	7.0
385.23627	4.1
403.08484	2.5
403.13773	47.1
403.24695	6.3
404.13910	1.8
425.35049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20297	0.6
55.04086	0.6
56.73713	0.6
69.03407	1.1
69.41757	6.2
70.06555	1.3
81.07034	0.7
83.23135	0.6
85.02908	4.6
86.09676	1.8
91.05466	1.1
97.02867	1.3
123.04478	0.8
131.21240	0.7
133.10045	0.8
141.05418	0.7
147.04324	0.8
167.06879	0.9
185.04257	3.3
185.06584	2.0
192.79518	0.6
195.09943	0.7
197.11760	0.9
203.07622	2.3
207.06529	1.8
223.13234	1.3
225.07680	1.3
241.10448	100.0
242.10823	2.0
257.12332	1.6
259.10281	1.2
329.10980	0.9
341.15854	0.9
403.15710	81.3
404.15964	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	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
54.34286	1.6
55.01862	3.2
55.05505	2.9
57.03427	14.2
57.07058	3.6
58.24121	1.5
59.04993	3.7
61.02922	9.8
61.13576	1.8
62.17342	2.3
67.05496	10.5
69.03417	32.7
71.04976	4.8
73.02906	4.1
76.23959	1.6
77.58583	1.6
79.05486	3.3
81.03402	17.4
81.07056	17.3
83.01337	1.8
83.04971	8.3
83.08588	9.2
85.02892	100.0
87.04459	9.0
91.03934	4.5
91.05486	4.0
93.07022	4.4
95.04947	13.6
95.08598	4.6
97.02879	27.2
97.06498	9.1
98.98463	2.7
99.04449	6.9
105.07018	4.9
107.08575	6.3
109.02856	13.0
109.06502	12.0
109.09544	1.8
109.10136	10.1
111.04388	2.4
111.08073	7.9
113.02346	12.8
113.05978	4.2
119.08595	4.2
121.06483	3.4
121.10136	7.3
121.10902	1.7
123.04416	31.3
123.08044	10.3
123.11685	6.3
125.05925	4.0
125.09648	4.6
127.03892	15.3
127.07540	21.1
131.07021	3.0
133.10130	4.8
136.99979	2.9
137.05954	4.9
137.09601	31.0
139.07530	5.9
139.11165	15.1
141.05438	40.3
145.04918	13.7
147.04422	2.9
148.04721	3.3
149.05966	2.1
149.09621	6.2
151.11166	11.4
155.01045	3.9
157.04997	2.3
157.08607	1.9
159.11726	2.3
161.09618	4.2
163.11169	4.7
165.09059	9.9
167.07040	4.2
167.10657	8.4
177.12741	5.3
179.10637	24.9
181.12225	3.2
197.11716	69.3
205.12207	17.1
223.13258	30.1
229.22105	2.0
241.14316	64.8
242.14749	1.9
403.14975	2.1
403.20029	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	403.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01858	5.7
55.05495	3.1
56.95227	1.4
57.03420	7.5
57.07062	2.7
59.00087	1.3
59.04990	5.7
61.02923	11.9
65.03947	1.4
67.05505	8.7
69.03423	42.0
69.07062	3.1
70.06586	10.1
70.71287	4.2
70.71646	1.4
71.04987	4.8
73.02907	5.3
79.05502	2.9
81.03407	14.7
81.07053	14.9
81.35043	2.0
82.34909	1.5
83.04970	11.0
83.08614	8.5
84.04485	3.1
85.02895	100.0
85.06496	2.1
86.09692	2.8
87.04452	9.7
91.03940	4.3
91.05479	5.0
93.07047	7.2
95.04962	14.3
95.08591	5.7
97.02879	26.9
97.06522	9.6
99.04438	7.6
101.05994	1.8
102.01867	1.4
105.07017	3.5
107.04942	4.2
107.08583	6.6
109.02855	13.3
109.06507	15.7
109.10143	11.3
111.04427	3.4
111.08060	9.3
113.02348	12.2
113.05994	5.7
113.09639	1.8
115.05405	1.6
117.06998	2.9
119.04955	2.8
119.08563	6.2
121.06483	3.3
121.10143	8.1
123.04420	32.7
123.08053	11.5
123.11685	5.0
125.06004	4.2
125.09612	6.6
127.03908	14.5
127.05822	1.5
127.07555	24.3
129.06970	1.4
131.07066	2.7
131.18431	1.5
133.10121	8.0
135.08044	3.4
135.11681	2.5
137.05965	5.0
137.09593	31.5
138.05357	1.6
139.03947	1.8
139.07501	8.4
139.11154	12.6
141.05446	45.3
145.04950	11.7
145.09988	1.8
147.04434	3.8
149.05939	2.3
149.09605	5.2
151.03894	2.6
151.11148	12.4
153.09109	2.0
154.06818	2.1
157.04930	3.5
159.11639	4.2
161.09576	7.9
163.03867	2.5
163.11166	4.8
165.05447	1.8
165.09108	12.1
167.06992	4.7
167.10634	7.5
169.12315	2.0
177.05434	4.2
177.09035	4.1
177.12741	4.7
179.03474	2.0
179.10649	22.0
180.10849	1.5
181.12230	2.1
185.06514	2.2
185.08047	2.7
197.11710	73.2
198.12114	2.5
203.07581	2.0
204.84494	1.5
205.12215	15.9
207.06526	4.1
223.13261	31.0
225.07626	1.9
229.03102	1.6
236.09308	1.4
241.10596	2.8
241.14304	67.9
242.14719	1.6
257.09576	3.6
329.10742	1.9
386.15814	2.5
403.15503	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	403.1957
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01858	8.9
55.05495	7.9
57.03418	13.0
59.83472	4.9
61.02906	10.4
67.05476	17.7
69.03417	41.0
70.06570	18.8
71.33603	13.4
73.02904	4.9
81.03389	16.5
81.07028	15.9
83.04975	13.3
85.02413	7.8
85.02892	100.0
86.09678	18.4
87.04445	13.1
91.05453	18.0
93.07010	6.8
95.04934	14.8
95.08585	10.3
97.02893	24.5
97.06492	6.7
99.04436	8.6
102.32648	4.9
105.06992	6.6
106.73459	4.6
107.08573	8.1
109.02850	13.9
109.06503	16.5
109.10135	45.2
111.08065	17.8
113.02322	6.6
119.04903	16.6
119.08601	6.9
121.06431	7.3
121.10105	18.8
122.07220	6.9
123.04394	21.8
123.08045	15.1
125.09594	15.3
127.03879	22.1
127.07513	12.5
137.08615	7.9
137.09598	76.3
139.07530	13.1
139.11200	11.9
141.05464	33.8
145.04913	15.7
147.04388	12.4
149.09613	5.9
151.11142	8.4
153.09061	21.0
161.09604	7.4
165.09067	11.5
167.10669	33.0
175.03859	30.1
177.12798	9.3
179.10619	29.5
192.04219	7.8
197.11722	49.6
205.12206	9.5
207.06482	53.9
207.20674	5.8
223.13211	17.6
225.07500	12.5
241.14316	67.3
375.89325	5.0
403.15701	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01034	5.4
55.01888	6.1
60.27961	5.9
63.35336	5.9
67.05501	11.9
69.03426	15.2
69.33336	56.3
70.06589	16.2
81.03431	6.5
81.07080	11.2
82.50732	6.4
83.04948	15.3
85.02888	28.9
86.09681	18.0
91.05455	10.8
93.07023	13.2
93.85682	5.2
95.04974	7.3
95.08615	12.0
97.02884	15.9
97.06485	8.2
98.20714	10.8
100.67993	5.8
105.07009	7.8
107.04970	11.5
107.08562	14.3
109.06526	8.7
109.10131	37.2
111.04422	6.1
111.08079	17.2
114.95076	5.0
119.08572	18.3
121.10198	5.7
123.04426	5.9
123.08071	11.2
123.11736	6.4
125.09613	12.8
127.03905	7.7
131.08501	5.8
135.08005	17.7
137.09596	54.8
139.03914	9.3
139.07518	6.2
145.04907	6.6
147.07970	9.0
149.09618	14.3
153.09059	22.8
156.37276	5.6
165.08966	6.9
167.10619	31.5
171.11620	11.9
176.23766	6.0
177.12746	11.6
179.10608	9.4
198.69333	6.1
203.07744	6.5
207.13829	30.9
223.13289	19.7
241.10469	100.0
241.14192	30.6
308.09802	6.4
332.21802	5.8
403.10660	7.6
403.15619	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1959
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03934	4.0
55.01863	4.4
55.05492	2.3
57.03429	10.9
57.07066	2.8
58.71143	0.9
59.04985	3.7
61.02915	10.2
65.03934	1.3
67.05486	8.1
69.03420	36.8
69.07063	1.7
69.30248	0.9
69.30582	10.4
70.05515	1.0
71.04987	5.6
73.02906	3.7
79.05499	2.5
81.03413	11.1
81.07050	14.7
83.01328	1.2
83.04977	7.1
83.08601	9.1
85.02893	100.0
85.06491	1.4
87.04459	10.5
91.03931	3.1
91.05471	2.3
91.59194	1.1
93.07038	4.5
95.04958	12.7
95.08585	3.9
97.02879	26.6
97.06530	8.0
98.20772	2.1
99.04433	8.3
99.08078	1.3
101.05999	1.5
105.07007	3.5
107.08578	6.2
109.02882	11.5
109.06511	11.2
109.10141	11.7
111.04417	2.5
111.08080	8.6
113.02366	12.0
113.05999	3.9
113.09591	2.2
115.03907	1.4
119.08567	3.2
121.06516	1.6
121.10106	8.0
123.03545	2.2
123.04411	30.3
123.08057	8.5
123.11690	6.4
125.05945	3.2
125.09629	6.5
127.03904	15.9
127.07542	23.5
131.07025	3.6
133.10098	4.7
135.08023	1.3
135.11646	2.2
137.05969	4.4
137.09598	32.7
139.07559	8.7
139.11151	12.8
141.05449	45.8
142.05850	1.3
145.04947	14.5
147.08044	1.2
149.05978	1.6
149.09586	4.1
151.11168	10.8
153.09128	2.0
157.04915	2.5
157.08566	1.2
159.11659	3.2
161.09587	7.0
163.11124	5.4
165.09081	9.5
167.06990	3.0
167.10635	6.0
167.34952	1.3
169.12189	3.0
177.12726	4.8
179.10655	20.2
181.05132	1.1
181.12202	1.7
195.13834	2.5
197.11708	73.3
198.11971	1.1
205.12234	15.3
221.05135	1.0
223.13272	29.0
224.13680	1.2
241.14326	60.1
242.14598	2.3
403.13770	1.9
403.19183	1.8
422.09348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Spionoside B
Peak:m/z	Relative Intensity
50.56329	2.4
53.03934	5.7
55.01865	6.5
55.05500	5.2
57.03431	12.4
57.07060	2.5
59.04995	6.0
61.02922	13.5
65.03928	2.2
67.05490	7.3
68.54947	2.1
69.03417	37.8
69.07056	4.1
70.06584	11.4
70.48632	7.7
71.04998	5.6
73.02924	3.4
75.04456	2.2
79.05496	2.9
80.07845	2.3
81.03410	15.9
81.07045	13.6
83.04962	8.8
83.08598	6.1
85.02893	100.0
86.09687	4.2
87.04450	11.0
91.03960	4.5
91.05466	11.6
92.34230	2.1
93.07047	5.1
95.04961	12.9
95.08633	4.0
97.02886	32.9
97.06516	8.0
99.04452	10.1
101.05974	3.6
105.07051	3.9
107.08582	6.6
109.02864	14.9
109.06527	13.6
109.10155	22.3
111.04417	4.2
111.08074	13.3
113.02375	11.0
113.05961	4.2
113.09660	4.3
119.04932	11.8
119.08620	4.6
121.06498	4.5
121.10128	8.6
123.04422	32.8
123.08026	10.9
123.11723	4.7
125.06013	2.7
125.09615	6.5
127.03900	20.5
127.07544	23.3
129.87495	2.6
131.07050	5.3
133.10139	4.0
137.05981	5.3
137.09610	43.4
139.07599	11.4
139.11172	19.7
139.17574	2.4
141.05440	39.2
142.08768	2.0
145.04944	16.9
146.56154	2.2
147.04369	10.2
149.06006	2.8
149.09619	5.6
151.11172	11.0
153.09113	7.4
155.07190	2.2
157.04977	4.7
159.11734	2.7
161.09595	5.2
163.11205	4.9
164.04625	2.7
165.09055	15.2
167.07066	5.4
167.10674	17.6
175.03888	18.9
177.12691	5.6
179.10651	21.3
181.12233	2.7
192.04190	4.6
197.11722	67.2
205.12181	17.3
207.06494	41.0
216.30420	2.6
223.13237	32.8
224.46887	2.3
225.07478	15.5
235.33272	2.9
241.10663	15.8
241.14333	79.7
242.08029	2.5
258.10162	2.3
278.75998	2.4
403.15726	31.1
403.20410	4.1
405.09973	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01860	4.1
55.05511	8.6
57.03421	1.3
62.20209	0.9
63.07966	0.7
65.03922	1.4
67.05501	16.7
69.03413	1.8
69.07053	5.8
69.88999	4.7
71.04989	1.2
79.05484	9.7
81.07048	16.6
83.04971	8.9
83.08627	2.5
85.06535	1.6
91.05476	11.0
92.40183	1.0
93.07030	22.0
95.04940	7.0
95.08595	37.2
97.06525	3.8
97.10181	2.0
97.64909	0.9
98.21411	1.4
99.04463	1.8
103.05431	1.4
105.07018	14.9
107.08578	15.2
109.06517	5.1
109.10148	10.7
111.04462	4.4
111.08059	5.8
113.06004	1.9
115.05433	4.6
117.07006	3.5
119.08549	14.1
121.06500	3.2
121.10129	11.4
123.08040	8.9
123.11658	2.9
125.05877	0.9
125.09640	1.8
128.06206	6.6
129.07007	10.5
131.08540	6.6
133.06500	1.0
133.10103	10.5
135.08073	3.5
135.11656	5.3
137.09601	0.9
139.07568	2.1
141.06970	6.7
141.09079	3.1
142.07782	5.2
143.04915	5.1
143.08539	13.1
144.09282	1.9
145.06427	1.6
145.10117	9.2
147.08081	1.9
147.11639	5.6
149.09615	1.7
152.06163	5.1
153.06979	9.9
154.07768	3.9
155.08536	34.3
156.09245	2.0
157.06482	14.3
157.07701	1.1
157.10101	13.8
158.10843	1.2
159.08044	2.8
159.11690	7.3
161.09564	4.7
161.13219	3.4
163.11191	4.0
165.06989	19.7
166.07785	5.4
167.08548	11.2
168.05670	1.3
168.09299	1.7
169.06439	4.4
169.10110	38.1
170.10732	1.2
171.08031	10.8
171.11670	7.1
173.09641	1.4
173.13254	3.6
175.11186	4.0
175.14850	3.0
177.12784	1.1
178.07709	9.2
179.08531	15.9
180.09312	4.4
181.06474	9.6
181.10089	13.2
182.07210	2.0
182.10857	1.9
183.08047	21.9
183.11670	14.5
185.09590	9.5
185.13269	3.9
187.11179	1.9
187.14799	1.1
189.06985	1.1
189.12691	2.5
190.07803	2.1
191.08543	6.2
192.09299	10.9
193.06509	3.0
193.10117	16.6
194.07314	2.5
194.10866	7.1
195.08034	17.5
195.11679	18.1
195.13336	2.0
196.08699	1.1
196.12413	1.4
197.09576	8.6
197.11533	1.3
197.13243	11.6
199.11197	1.4
199.14876	1.5
201.12767	1.8
202.07791	3.2
203.08554	4.9
203.14372	2.0
204.09404	3.7
205.06427	1.0
205.10106	11.9
206.07300	3.1
206.10861	13.3
207.08047	16.7
207.11652	22.7
207.13666	1.4
208.08710	4.9
208.12421	4.0
209.09586	16.1
209.13199	17.6
209.15018	1.5
210.10448	1.1
210.13988	2.8
211.11116	5.6
211.14806	2.5
212.19821	0.9
213.12685	1.6
215.08572	2.7
216.09329	4.0
217.10141	4.4
218.07343	1.9
218.10818	5.7
219.08195	4.6
219.11705	13.5
219.13741	1.6
220.08932	5.0
220.12431	10.9
221.09653	26.9
221.13193	38.8
222.10297	3.9
222.13919	2.4
223.11186	16.3
223.14725	10.5
225.12769	2.1
226.13620	1.0
229.10185	3.1
230.10849	2.6
231.08076	3.1
231.11673	4.2
231.13786	1.7
232.08824	4.1
232.12460	3.7
233.09636	12.4
233.13203	10.2
234.10379	5.5
234.13986	5.0
235.11168	26.3
235.14709	13.5
236.11835	1.7
236.15594	1.5
237.12766	4.4
237.16365	5.4
243.11717	2.2
244.08842	1.1
244.12422	2.0
245.09581	5.1
245.13123	5.5
245.15382	1.5
246.10408	6.1
246.14090	2.7
247.11139	18.5
247.14771	12.0
247.17097	1.0
248.11873	7.0
248.15572	3.2
249.12724	11.2
249.16364	8.7
251.17821	1.1
257.13300	1.3
258.10327	1.4
259.11194	11.2
259.14792	2.8
260.11880	3.4
260.15698	2.0
261.12720	18.7
261.16278	7.5
262.13452	3.9
262.17090	3.8
263.14328	42.5
263.17960	48.6
264.14725	2.1
264.18625	3.0
265.15945	2.7
265.19553	2.8
269.13089	1.2
271.11270	1.5
271.14789	1.8
272.15518	1.2
273.12723	4.1
273.16217	2.1
274.13498	1.9
275.14304	10.6
275.17831	3.2
276.18643	1.3
277.12219	1.6
277.15854	3.3
277.19434	1.7
279.13672	1.3
285.12994	1.4
285.16196	0.9
286.13705	0.9
286.16998	1.1
287.14288	9.4
287.17880	3.4
288.14999	1.2
289.12531	1.9
289.15860	17.6
289.19452	8.4
290.16577	1.3
291.17471	3.0
291.20749	1.9
297.12842	1.8
299.14435	1.3
301.15784	6.4
301.18948	1.1
303.17389	6.3
303.21127	3.1
304.18188	5.8
304.21863	7.3
305.15421	1.7
305.19016	1.3
311.14236	1.0
313.15701	1.1
315.17511	2.1
315.20966	1.8
327.17380	2.5
329.15427	2.1
329.19067	4.7
329.22705	2.0
343.20587	1.6
347.20251	1.1
357.22107	11.9
357.25812	2.1
361.21576	1.7
367.20444	4.6
375.23090	1.8
384.88239	0.9
385.21472	19.8
385.25287	1.6
386.21967	1.1
403.22330	27.5
403.26340	100.0
404.22464	1.8
404.27307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35365	2.7
55.01870	4.3
55.05502	3.5
67.05491	5.1
69.03426	10.6
69.71622	15.1
71.04985	12.5
78.75033	3.0
79.05481	12.1
81.07044	36.7
85.02895	11.7
86.38819	2.5
91.05467	17.8
93.07033	38.9
95.04967	4.6
95.08583	7.3
97.02890	16.7
97.06519	5.8
97.94292	2.9
99.04440	43.1
105.07024	58.9
107.04938	4.7
107.08578	20.4
109.06509	7.8
111.08068	15.8
119.08559	9.5
121.06502	6.9
123.08024	3.6
125.05981	3.6
131.08511	3.0
133.06450	7.8
133.10121	84.0
135.11664	5.1
137.05960	7.5
143.08542	11.1
145.10089	5.0
146.07286	4.1
147.08086	2.8
151.07529	5.4
151.11201	7.3
161.09602	88.4
162.10010	3.9
163.11130	29.7
167.07005	3.7
179.10678	40.8
189.09087	40.6
190.09421	3.2
207.10132	28.9
218.09825	2.7
225.11197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02246	2.6
51.98833	2.7
57.03422	4.5
61.02919	3.6
67.05483	8.6
67.52298	3.5
69.03430	8.9
69.13077	2.8
69.32735	30.8
71.04968	6.9
73.24255	2.9
79.05482	8.1
81.07052	45.7
85.02900	11.8
91.05469	29.1
93.07028	12.7
95.04961	5.6
95.08598	5.5
97.02888	5.7
98.10003	3.0
98.21575	3.6
99.04435	16.5
105.07018	24.0
107.04963	8.7
107.08591	9.5
109.06505	39.6
109.10155	6.2
111.04430	9.1
115.48651	2.6
116.21568	3.1
117.07018	7.0
119.08569	82.5
123.04424	4.4
123.08051	13.2
131.08542	2.8
131.34781	3.0
133.06430	3.3
133.10103	34.3
137.05927	15.6
137.09587	27.8
143.08559	5.3
145.10132	4.5
147.04451	3.7
147.08038	17.3
151.03944	5.2
151.07526	17.8
151.11171	5.7
161.09615	48.5
163.07481	15.1
163.11182	9.8
165.09073	29.4
171.08003	4.2
179.10648	46.7
180.08742	3.3
181.05103	6.1
183.10144	6.1
189.09081	30.3
207.10141	100.0
208.10497	3.9
225.11198	92.7
226.11488	3.3
298.73923	3.6
303.76547	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.3
57.24790	1.5
59.04977	3.3
67.05492	2.7
69.03420	3.7
70.73980	4.4
70.74332	2.0
71.04993	2.3
74.15728	1.5
79.05489	4.0
79.65161	1.5
81.07034	4.7
85.02898	12.4
91.05452	5.8
93.07027	4.9
95.04943	2.8
95.08596	3.0
105.07008	16.6
107.08566	16.9
109.06507	3.0
109.10200	2.1
117.06964	2.2
119.08574	19.6
121.10135	14.2
123.08051	5.2
123.11673	8.4
125.09648	1.9
129.06982	3.9
131.08557	13.2
133.10094	6.2
135.08025	22.6
135.11668	4.0
137.09648	1.6
141.06966	1.8
143.08557	11.0
145.10115	5.5
146.89290	1.5
147.08026	14.3
147.11673	19.1
149.09596	10.7
156.09320	16.1
159.08057	1.7
159.11748	2.6
159.52444	1.7
161.09601	2.0
161.13228	9.0
165.09053	2.9
165.12769	2.7
171.11678	32.4
174.10320	2.1
189.12714	30.8
196.98994	1.6
207.13774	100.0
208.14096	4.4
241.10414	6.9
242.10777	12.8
255.00789	1.5
404.16202	10.8
405.16794	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	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	5.2
55.05516	9.9
67.05496	8.3
69.03450	6.0
69.25523	55.5
72.23582	4.7
79.05489	9.3
81.07049	7.5
83.04981	5.2
85.02890	8.6
85.06525	6.7
91.05470	20.6
93.07020	8.1
95.04967	6.0
95.08607	11.5
101.93985	4.5
105.07032	56.4
107.08578	11.1
109.06506	14.9
109.10104	5.2
117.07003	8.1
119.08559	48.8
121.10127	21.7
123.08038	14.5
131.08525	7.9
133.06491	7.0
133.10127	6.0
137.05984	13.4
137.09589	23.6
145.10112	21.3
147.11691	73.0
149.09567	10.3
151.07491	8.7
161.13266	13.1
163.11136	10.1
165.12790	5.7
171.11674	8.3
189.12730	63.6
207.13782	100.0
226.17946	6.3
239.08163	6.7
327.09784	9.2
345.10715	16.2
373.10135	10.9
423.40472	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05673	4.1
55.01867	6.0
55.79058	4.2
69.03422	6.0
69.07046	4.9
71.54621	7.5
72.74605	4.0
79.05480	9.5
81.07026	9.8
84.04478	11.3
85.02895	26.4
86.09692	12.3
91.05464	19.1
93.07040	11.2
95.08571	8.2
98.06878	4.3
105.07028	21.8
107.04957	6.7
107.08609	22.9
109.10130	6.0
110.07218	5.5
117.07025	6.9
119.05002	5.1
119.08566	17.3
121.10118	20.7
123.04401	3.6
123.08028	4.7
123.11712	18.1
131.08553	12.3
133.10094	7.0
135.08037	22.2
135.11642	4.5
137.06030	4.2
137.09607	7.4
143.08554	14.7
143.75177	4.9
145.10136	7.8
146.11754	8.3
147.04390	9.5
147.08020	16.8
147.11661	17.1
149.09596	25.6
156.09334	13.9
161.13255	4.3
163.03908	8.7
165.09151	9.1
167.10660	11.0
171.11665	28.4
189.12709	33.8
193.08588	4.2
197.07166	5.1
207.13777	100.0
211.08583	7.8
222.03992	6.4
225.06461	7.5
225.10068	7.4
225.14717	6.2
239.08223	19.8
245.12862	12.3
253.09708	12.9
257.09250	7.0
267.07675	11.8
270.13858	4.2
271.10611	4.2
281.09003	9.4
299.10275	15.5
309.08685	17.2
327.09692	30.9
329.11337	6.3
345.10681	48.1
373.10214	43.4
404.15588	7.2
405.12552	9.6
405.17258	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	0.7
67.05479	1.6
69.03409	1.4
70.66932	1.1
70.67315	1.5
71.04972	1.2
79.05486	1.1
81.07029	1.9
83.04957	1.8
85.02882	3.3
93.07038	1.4
95.08596	4.2
97.02869	1.8
97.06512	1.9
97.33310	0.7
105.07025	1.6
107.04901	0.7
107.08564	0.8
109.06515	1.6
119.08556	3.0
121.06519	1.4
121.10144	3.8
123.08046	100.0
124.08377	2.6
132.88246	0.9
133.10034	0.9
137.05952	1.2
149.09631	1.5
151.11142	2.1
161.09561	1.2
163.11102	1.4
167.07005	2.9
167.10663	1.4
179.10619	0.8
181.12215	8.7
189.12633	1.0
207.10159	1.9
207.13766	3.4
225.14809	12.1
239.08064	1.2
242.13850	1.7
295.76065	0.8
309.08575	1.1
327.09610	1.5
345.10699	2.5
373.10114	1.5
404.19138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79839	0.5
53.03930	2.0
55.01853	1.0
55.05249	0.8
55.05500	11.2
55.58516	0.5
56.48640	0.5
57.02070	0.5
57.03421	1.2
57.07051	2.3
65.03941	0.8
67.01858	1.7
67.05161	0.8
67.05496	10.8
69.00778	0.5
69.03412	1.3
69.07056	10.2
71.04976	1.5
71.08602	0.6
71.56609	0.8
73.62717	0.5
79.05483	8.3
81.07040	26.8
83.04948	2.7
83.08611	3.7
85.02872	1.0
85.06509	0.9
91.05471	8.2
93.07027	25.5
95.04952	2.3
95.08593	21.8
97.06517	3.2
97.10150	2.3
102.75270	0.5
103.05452	0.8
105.07011	8.6
107.08578	18.4
109.06510	4.2
109.10140	10.9
109.10885	0.8
111.08087	3.0
111.11684	0.6
115.05416	0.8
117.06972	1.1
119.08566	5.2
121.06474	3.0
121.10121	10.7
123.08034	4.0
123.11684	4.9
125.09622	0.9
128.06215	0.8
129.06984	1.2
131.08560	3.2
133.06477	1.2
133.10107	5.4
135.08037	3.8
135.11667	5.3
137.05946	13.8
137.09607	0.8
137.13231	1.1
138.06766	0.8
139.03857	1.0
139.07507	5.3
139.11205	1.3
141.05464	2.3
143.08539	1.9
145.06470	0.8
145.10107	1.9
147.08035	2.8
147.11670	4.2
149.05966	4.7
149.09583	1.8
149.13237	13.2
151.07521	30.3
151.14752	0.6
153.05438	0.7
155.08452	0.7
157.10104	2.2
159.08023	2.0
159.11697	2.5
160.08763	0.7
161.05974	3.2
161.09589	2.2
161.13234	2.6
163.07515	2.3
163.11125	0.8
163.14827	2.0
165.05458	11.0
165.09088	7.2
167.07014	100.0
168.07344	2.0
169.10155	1.0
171.08122	0.6
171.11642	1.6
173.09618	1.4
173.13235	2.3
175.07507	6.4
175.11116	1.5
175.14827	0.6
176.08344	0.7
177.05492	1.2
177.09074	3.8
177.16370	1.2
178.06271	0.5
179.06990	2.9
179.10576	2.5
181.08568	2.9
181.09981	0.6
183.07912	0.7
183.11610	0.6
185.09598	1.3
187.07533	0.9
187.11197	1.4
187.14812	0.6
188.08215	1.3
189.07385	0.6
189.09074	13.0
189.12706	1.7
189.16385	1.8
191.07008	4.1
191.10573	2.5
191.17941	0.7
192.07788	1.8
193.08545	5.2
199.11147	0.8
201.09079	1.7
201.16397	0.6
203.10657	6.2
203.17946	1.8
205.08578	5.0
205.12227	2.2
206.09358	1.0
207.10101	7.5
207.11749	0.8
211.15009	0.5
215.10667	2.1
215.17928	1.8
217.12151	3.1
219.10132	2.6
221.11705	2.0
223.14868	1.1
231.13745	1.4
233.11673	2.0
247.13292	0.7
257.15427	1.4
275.16287	1.3
341.24756	0.8
351.23193	0.9
357.24081	1.1
359.25754	1.3
369.24155	7.6
387.25293	10.0
405.26398	7.1
405.37402	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	405.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
57.07045	1.4
67.01862	0.6
67.05479	1.8
68.99766	0.5
69.03426	0.6
69.07063	2.7
69.54023	0.4
69.56112	3.9
71.08626	0.6
79.05472	0.9
81.07069	2.2
83.04974	0.9
83.08596	1.7
91.05455	0.9
93.07024	1.4
93.20497	0.4
95.04967	0.6
95.08585	2.0
97.02866	1.3
97.06517	1.1
99.02218	0.5
105.07030	0.7
105.36540	0.5
107.08589	1.1
109.06486	0.5
111.04455	1.2
121.10114	0.6
125.02361	1.1
125.05963	0.7
128.32845	0.4
133.10080	0.5
139.03871	0.7
149.09576	0.5
153.05438	0.6
167.07025	0.5
195.10118	0.6
195.11903	0.5
223.16959	0.5
311.17737	0.5
405.33594	100.0
406.33893	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	405.3723
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03933	1.4
55.01865	2.1
55.05507	2.0
57.07064	7.0
67.05492	12.1
69.07057	1.6
71.08625	6.1
71.19344	2.1
79.05444	1.1
81.07037	1.9
83.08624	1.4
85.10160	3.6
91.05469	5.9
93.07037	41.4
95.04966	2.1
95.08597	22.3
97.06565	0.9
98.20955	0.9
107.08572	3.8
109.06512	0.9
109.10146	1.7
111.08073	19.9
119.08508	0.9
121.06496	2.1
121.10159	1.9
125.09623	1.2
127.07545	2.6
131.08487	0.9
135.11707	1.1
139.07533	16.1
141.09094	1.0
153.09062	9.6
157.08589	3.7
164.05991	0.8
167.10696	7.0
173.36583	0.9
181.12273	5.0
194.81401	0.8
195.13750	4.4
209.15321	3.7
223.16869	1.6
237.18640	0.8
264.01248	0.9
292.71127	0.8
293.24817	1.3
307.26471	0.9
332.75732	0.9
349.30896	1.0
383.99973	0.9
387.47025	0.9
405.37238	100.0
406.37512	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	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01862	2.5
55.05496	3.1
57.03427	3.2
59.04975	1.4
61.02897	5.1
67.05506	8.5
68.07402	1.5
69.03432	11.5
69.07060	2.0
70.27526	2.9
70.27944	4.4
71.04966	5.3
73.02908	2.2
79.05473	8.4
81.03397	3.9
81.07054	8.1
83.04970	3.9
84.59189	1.4
85.02901	30.5
87.04418	1.4
91.05471	4.3
93.07039	26.0
95.04911	1.5
95.08591	3.1
97.02876	10.1
97.06536	8.2
97.07050	1.3
99.04442	21.1
101.06067	1.6
105.07024	22.9
105.07673	2.8
107.08572	20.0
109.02830	2.6
111.08075	3.9
115.07549	1.9
117.06992	2.6
119.08572	19.1
121.06506	11.9
121.10132	64.5
123.08032	5.9
127.03885	4.4
130.07767	2.2
131.08531	3.5
135.08038	5.8
135.11661	10.9
143.89584	1.4
145.04935	7.2
145.10114	33.9
147.11662	2.0
149.09598	7.6
152.84000	1.5
159.29623	1.4
163.11171	91.0
164.11479	2.8
173.09666	5.5
180.08646	5.3
181.12218	43.6
182.12492	2.2
191.08873	2.3
191.10652	66.6
209.11702	48.1
227.12762	100.0
228.13127	2.2
244.15405	4.1
361.02237	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	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.1
61.02897	2.7
67.05489	6.7
69.03415	9.8
69.07046	3.4
69.48125	21.8
71.04972	5.9
77.66169	2.3
79.05492	10.8
80.42869	2.4
81.03384	4.9
81.07037	8.2
83.04985	3.4
85.02892	22.4
90.23769	2.2
91.05461	4.5
92.53696	2.2
93.07035	29.4
95.04970	3.1
97.02872	9.9
97.06507	4.2
98.20733	5.3
99.04440	22.7
101.64142	2.2
105.07021	60.4
107.08584	65.1
108.02049	2.2
109.28442	2.1
111.15872	2.2
116.99995	2.3
119.08550	15.9
121.06502	13.5
121.10137	36.0
123.08004	2.7
131.08612	2.7
135.08051	6.7
135.11678	19.4
145.04897	2.6
145.10091	36.6
149.05989	3.2
149.09634	6.2
163.11172	100.0
165.24330	2.3
173.09578	5.5
180.59714	2.1
181.12210	50.7
187.86093	2.2
189.03316	2.2
191.10655	81.6
192.10977	3.0
209.11707	54.8
227.12761	84.7
389.50018	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	406.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20956	4.3
69.03426	10.8
69.41528	13.8
69.41955	27.3
74.81149	4.3
77.76466	4.2
79.05486	12.1
85.02885	12.5
93.07049	28.7
96.10394	4.5
97.02886	4.3
99.04427	11.5
105.07011	77.8
107.08581	76.4
109.06487	5.6
119.08568	19.7
121.06474	6.8
121.10138	31.9
131.17650	5.1
135.11668	27.4
138.74916	4.4
145.10120	38.2
161.36613	4.7
163.11153	100.0
173.09639	8.3
178.88516	4.5
181.12198	60.7
191.10635	79.0
209.11720	51.4
227.12747	77.1
268.03296	4.5
324.18307	5.7
364.72421	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05489	1.4
57.03436	4.8
59.04982	1.3
67.05502	3.0
68.49046	0.8
69.03420	3.1
69.07075	4.9
69.86402	1.4
69.86806	4.4
69.99110	0.8
71.04971	2.9
79.05468	1.7
81.07043	3.9
83.04964	4.1
83.08598	2.0
85.02875	6.0
85.06556	1.0
91.05490	1.4
93.07056	4.4
95.08587	4.0
96.44676	0.8
97.02882	0.9
97.06507	1.3
105.07031	2.9
107.08597	18.9
109.06467	2.2
109.10145	13.3
111.08089	3.0
119.08553	1.8
121.06470	1.5
121.10134	11.8
123.08058	3.1
123.11695	3.3
125.09603	4.2
129.09105	1.1
131.08574	1.8
133.10121	3.3
135.08041	2.7
135.11690	3.8
137.09618	9.6
139.11194	1.1
145.04947	1.0
145.10098	1.1
147.11699	2.5
149.09590	2.1
149.13239	8.6
151.11160	17.6
153.09116	2.3
155.71956	0.9
158.10838	1.2
161.05937	0.8
163.11169	1.4
163.14793	12.8
169.12230	4.0
173.13254	9.9
191.14290	43.1
192.14635	1.1
209.15340	21.6
227.16396	100.0
228.16725	2.6
361.03467	2.4
379.05045	1.5
384.05591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03535	1.4
57.03423	2.6
57.07052	1.4
65.20325	1.4
67.05502	2.1
67.96236	1.3
69.03414	4.8
69.07057	2.8
69.21323	6.2
69.21758	10.0
70.37307	1.3
71.04977	3.8
73.02879	1.3
78.56254	1.6
79.05453	2.4
81.07045	4.7
83.04982	2.5
83.08604	2.0
85.02890	12.0
89.06007	2.2
91.05482	2.0
93.07019	3.6
95.04960	2.4
95.08595	5.9
97.02891	2.4
97.06525	3.3
99.67929	1.3
103.05456	1.7
105.07036	7.2
107.04939	5.2
107.08579	11.4
109.06508	1.6
109.10147	11.3
111.08070	1.6
119.08574	3.8
121.10129	76.6
122.10462	1.5
123.08057	1.6
123.11691	3.2
125.09662	2.4
127.03865	2.1
131.08571	2.6
133.10159	7.8
135.08025	2.9
135.11655	5.0
137.05972	2.0
137.09599	5.7
139.11172	3.1
145.05040	1.6
147.11681	7.2
149.13246	6.0
151.11180	7.2
163.07533	2.4
163.14771	5.9
165.05490	1.5
165.08945	1.5
169.12207	4.4
173.13261	12.2
180.07713	1.7
181.04947	3.7
191.14291	40.4
192.14665	1.8
209.15359	22.8
211.09662	4.1
225.07323	1.8
227.16393	100.0
228.16719	3.4
259.11118	2.5
267.65906	1.6
272.66199	1.4
310.11108	1.8
389.13242	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93778	1.7
55.05505	22.4
67.05495	2.8
69.03424	3.1
69.07072	1.9
71.04996	2.3
71.56502	2.8
79.05473	3.2
81.07041	5.8
83.04967	20.5
83.08618	18.3
83.36266	1.6
85.02887	3.5
91.05468	3.3
93.07014	6.2
95.04968	3.2
95.08589	2.3
97.06506	2.9
105.07035	3.4
107.08602	9.5
109.06483	3.3
109.10146	10.1
119.08555	2.6
121.10146	4.3
123.08058	1.8
123.11656	3.6
125.09631	3.5
133.10139	5.9
137.05968	2.0
149.13234	4.0
151.11165	29.6
167.14308	32.3
173.13231	2.9
181.04959	2.2
191.14288	5.9
209.15343	100.0
210.15805	3.1
227.16495	5.1
259.11160	2.1
309.50827	2.0
323.72113	1.8
346.11276	3.7
374.10614	2.8
411.55008	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99252	1.8
55.05498	7.9
55.42303	1.9
57.07066	8.4
59.58564	1.6
67.05489	3.6
69.03421	4.4
69.07055	6.7
70.06574	5.3
71.04964	2.2
71.57200	3.7
77.49476	1.5
79.05475	10.6
80.52912	1.8
81.07044	39.5
83.04971	34.8
83.08633	8.4
84.04498	4.4
85.02919	10.3
85.06546	2.1
86.09700	1.9
91.05467	3.8
93.07036	15.1
95.04969	2.6
95.08591	9.4
97.02863	2.2
97.06516	6.6
99.08076	2.0
105.04496	1.8
105.07011	5.7
107.05000	1.9
107.08575	28.8
109.06508	57.2
109.10146	8.4
111.08080	5.0
116.01673	4.4
119.08557	2.8
121.10125	51.5
123.08035	3.9
123.11683	7.2
125.09628	11.7
131.08559	3.0
133.10117	8.3
135.08025	7.0
135.11665	4.6
137.05988	2.6
137.09654	2.9
137.13219	7.2
139.11136	1.9
145.04948	2.4
147.11690	3.3
149.09581	2.6
149.13210	16.1
151.11205	3.9
153.09116	19.3
156.08308	3.8
156.31287	1.7
162.02184	4.4
163.14801	38.6
163.16209	1.9
167.07042	2.5
167.10699	2.2
167.14259	11.4
171.10098	2.4
173.13280	7.0
181.04909	2.3
181.15826	15.4
191.14281	18.4
209.15337	100.0
210.15723	5.1
227.16400	2.3
241.09804	2.2
259.11118	10.5
265.09729	2.3
269.09180	4.2
282.93158	2.0
283.05414	1.9
293.09146	2.3
297.08707	6.7
315.09796	2.5
339.09744	5.1
371.20657	2.5
376.54938	1.8
389.13397	10.3
407.14786	3.4
412.14954	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.05489	13.4
56.05019	6.5
57.03436	6.1
57.23964	4.9
63.84093	5.0
65.89078	5.0
67.05489	7.5
69.03430	9.7
69.07060	7.4
69.48022	4.7
71.56246	7.9
76.02199	19.8
79.05481	12.4
81.07053	51.8
83.04973	21.0
83.08625	9.5
84.04489	24.0
85.02910	12.2
86.99081	8.2
87.02685	9.3
93.07045	10.6
95.08590	12.0
97.06509	5.6
98.09677	8.8
98.97566	9.4
102.05544	5.4
105.07023	9.3
107.08598	16.4
109.06512	28.2
109.10160	14.4
111.08099	5.5
113.04285	6.2
116.01666	21.0
119.08550	7.9
121.10126	34.8
123.08005	7.7
123.11666	9.5
125.09618	6.7
127.63639	5.4
130.04990	7.3
130.06810	5.0
133.10114	10.9
135.08037	8.7
145.10074	5.0
149.13251	10.5
151.03923	5.5
151.11169	11.6
153.01819	12.6
153.09082	11.0
156.08415	17.3
156.10199	9.2
157.06828	12.4
162.02220	23.6
163.14771	18.8
167.14310	11.1
173.13306	9.7
174.09431	13.9
179.04854	8.0
181.15921	7.4
191.14317	16.9
209.15375	91.3
216.06915	11.8
227.16638	6.0
250.96436	5.2
259.11087	100.0
271.00555	16.7
313.12091	6.6
317.01117	27.9
335.90805	6.0
375.11871	5.7
389.12933	6.4
406.06104	6.0
406.17838	40.6
406.22763	8.0
407.17990	7.1
421.13809	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	407.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
65.03921	1.5
69.03431	2.0
70.06567	2.3
71.52877	2.1
85.02856	1.4
86.09672	1.4
91.05470	1.7
93.07032	1.7
94.06487	1.7
97.06496	1.1
99.63491	1.3
101.23876	1.0
108.04440	1.3
110.06017	1.4
120.04440	4.8
121.46518	1.1
133.10095	1.4
134.06030	1.3
138.05478	4.5
144.73286	1.0
146.06000	1.6
147.04385	3.5
152.07031	3.3
154.05016	1.8
162.05409	1.2
163.07581	1.5
167.07124	1.6
174.05452	1.4
178.04976	9.6
188.03387	10.6
196.06084	5.6
196.07564	1.4
199.08636	3.2
206.04445	3.1
209.10791	2.0
211.08560	2.6
212.09239	1.2
213.10268	4.2
214.47472	1.2
215.08125	3.0
217.09633	2.4
221.10832	1.2
222.07748	1.4
223.08669	4.5
224.09378	1.4
225.10234	2.4
227.08115	15.2
227.11737	2.6
229.06126	1.5
229.09634	3.2
236.09389	1.4
237.10271	10.5
238.08707	1.9
238.10770	1.4
239.08119	1.7
239.11824	3.3
240.06451	1.3
241.09680	14.6
243.11234	3.8
245.09113	3.1
246.11107	1.4
251.08083	14.6
252.08951	1.8
253.09691	2.5
255.07559	7.8
255.11259	6.4
257.09323	2.4
257.12897	1.7
260.11447	2.3
265.09729	12.1
266.08002	2.3
266.10507	1.6
267.11276	3.5
268.09229	1.3
269.09180	38.9
270.09467	1.6
271.10687	6.2
273.08630	11.1
279.04843	1.7
279.07632	21.7
280.08243	2.0
283.10754	9.4
284.09061	3.1
285.12329	3.8
286.10699	2.1
287.10382	2.6
293.09174	22.7
294.09674	1.5
295.10727	4.0
297.08673	52.0
298.09006	4.6
299.10248	5.6
301.11795	5.5
302.10086	1.7
311.10257	10.4
313.11688	4.1
314.10077	2.2
315.09720	24.7
316.10132	2.1
317.11307	7.6
319.12775	3.4
321.08716	12.2
325.11737	9.1
329.11273	10.0
331.12708	1.5
333.10776	22.5
334.11057	2.0
339.09729	33.9
343.12784	9.8
345.10840	8.6
347.12378	4.2
357.10730	14.2
371.12350	19.8
372.12665	2.1
375.11737	8.7
376.12268	1.4
377.13446	3.5
379.15100	1.5
389.13385	100.0
390.13821	6.3
407.14401	45.3
408.14676	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	407.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01858	3.2
55.05502	9.6
57.03411	1.5
57.07058	5.2
65.03909	3.2
67.05173	2.0
67.05497	27.4
69.03392	3.1
69.07062	7.2
69.17915	6.3
69.18340	9.4
69.29047	1.4
71.04983	1.5
77.03893	1.3
78.44517	1.5
79.05482	16.7
80.87538	1.4
81.07048	26.2
83.04970	8.8
83.08598	2.7
85.06517	1.7
91.05472	30.4
92.88313	1.3
93.06469	2.1
93.07033	37.8
95.04952	12.7
95.08597	56.9
97.06514	9.6
97.10156	1.2
99.04428	1.7
103.05432	2.3
103.62717	1.4
104.29276	1.2
105.07017	44.1
107.04895	1.6
107.08582	28.1
107.38828	1.4
109.06496	8.2
109.10151	14.8
111.04416	4.0
111.08079	10.2
115.05445	4.8
116.04143	1.4
116.06182	3.0
117.06998	19.4
119.08568	44.5
121.06497	10.9
121.10133	21.2
123.08059	16.4
123.11675	4.1
125.09602	4.5
125.58965	1.5
127.07542	1.5
127.11145	2.3
128.06203	8.0
129.06978	17.1
130.07716	3.9
131.04837	1.3
131.08551	36.1
133.06528	6.6
133.10112	26.2
135.08041	10.9
135.11684	7.3
137.09607	3.1
139.07526	3.2
141.06966	6.2
142.07733	9.8
143.08533	36.2
143.09657	1.9
144.09302	1.6
145.06465	24.0
145.10098	42.8
146.07172	1.9
147.08037	9.6
147.11664	14.4
149.09583	10.5
149.13257	2.3
151.11148	1.6
153.06967	3.3
153.09064	2.1
154.07730	5.0
155.08527	18.9
156.09306	5.0
157.10110	30.4
158.10742	1.4
159.04411	3.9
159.08034	47.4
159.11671	23.0
160.08797	1.9
161.09605	21.9
161.13205	8.3
163.11139	6.2
165.07001	4.0
166.07814	2.0
167.08543	8.5
168.09319	4.6
169.10110	23.4
170.10886	3.7
171.08014	9.8
171.11668	24.8
172.08728	1.6
173.09605	73.0
173.13168	10.7
174.09988	2.7
175.11163	14.8
175.14775	3.8
177.09003	1.5
177.12720	2.6
179.08568	5.5
180.09315	3.2
181.10091	13.0
182.10895	2.1
183.08081	3.0
183.11693	20.9
184.12453	1.5
185.09575	19.7
185.13222	10.3
187.11153	33.9
187.14809	7.1
189.09088	1.6
189.12730	12.4
191.10561	5.7
191.14279	3.1
192.09319	3.3
193.10094	9.4
194.10844	2.4
195.07997	1.9
195.11653	15.1
196.12469	2.4
197.09566	7.6
197.13242	13.3
198.10310	2.1
199.11157	15.1
199.14713	2.8
201.12729	10.5
201.16437	1.7
203.14304	5.0
205.10124	5.0
206.10878	3.8
207.11636	11.9
207.13596	2.5
208.12369	4.0
209.09602	4.4
209.13217	11.4
210.10275	1.8
210.13809	1.7
211.11107	9.6
211.14799	5.8
213.12721	13.0
213.16220	1.5
215.10715	1.5
215.14272	13.4
217.10068	2.9
217.12125	2.8
219.11665	6.4
219.13785	3.5
220.12492	3.7
221.13232	11.2
221.15250	2.5
222.13776	1.4
223.11124	4.2
223.14769	12.5
224.12030	1.9
225.12737	12.4
225.16301	3.0
227.14304	8.1
229.12375	2.2
229.15819	4.3
231.11638	2.1
232.12335	2.6
233.13164	5.5
233.15256	1.5
234.14009	4.1
235.11075	2.5
235.14801	7.2
237.12706	4.7
237.16354	4.3
239.14233	6.8
239.17946	2.6
241.15851	3.3
241.19421	1.7
243.13885	1.7
243.17378	1.5
245.13176	3.2
247.14735	7.4
249.12630	2.5
249.16360	18.3
251.11819	1.4
251.14287	5.5
251.17874	4.7
253.15855	5.3
257.15436	1.6
259.14883	2.2
261.16342	2.5
263.14322	2.4
265.15866	12.0
265.19525	1.7
266.12833	1.4
266.16214	2.0
267.14133	2.6
267.17398	36.7
268.17746	2.4
269.18900	4.5
272.15710	1.5
275.14902	1.4
275.17899	6.1
277.16019	2.9
277.19180	1.9
279.14380	1.3
279.17432	7.5
279.20859	3.1
281.15384	2.3
281.18854	1.7
283.16956	3.6
287.17807	2.0
289.19540	2.2
290.20184	2.8
291.17441	3.5
293.18921	24.3
294.19412	1.4
295.17093	2.1
295.20477	5.0
297.18597	2.5
297.22031	2.1
305.19025	2.8
307.20532	3.2
308.21310	2.3
309.18365	1.7
311.20044	4.1
315.21027	1.4
319.16931	1.8
331.20435	1.7
333.18463	2.4
333.22086	6.9
343.24026	2.9
345.21872	1.8
347.19864	2.1
347.23822	1.8
353.22690	2.9
361.21338	2.9
361.25171	16.0
371.23621	20.0
379.26175	3.3
389.24680	73.7
390.25034	3.7
407.25717	100.0
408.25937	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	408.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43518	0.9
61.56129	0.8
62.24876	0.8
71.31921	0.7
71.51849	1.1
98.97536	1.3
119.01916	5.9
134.99704	1.4
137.02951	2.7
147.07082	0.7
156.97514	0.8
158.99908	1.0
174.98422	1.0
177.00934	20.3
177.02414	1.6
179.00674	1.2
192.98904	0.8
197.00478	1.2
203.02394	1.1
210.03265	1.1
215.01709	0.9
217.04088	3.3
219.01988	30.8
220.02142	2.4
221.01848	2.2
225.01028	2.8
234.99966	6.1
236.00087	5.7
236.99759	3.1
241.99290	0.8
242.03606	1.8
243.01903	7.0
244.02104	1.0
253.00998	2.4
254.01201	1.8
258.06696	1.8
259.00064	9.6
260.00076	9.2
261.03036	100.0
262.03143	8.3
263.02866	0.9
264.98825	1.1
265.99057	1.1
274.98886	1.2
277.00998	11.1
278.01175	11.5
279.00974	4.1
282.99951	13.9
283.02710	0.7
284.00073	11.7
284.04926	7.4
284.99863	5.6
301.01022	24.9
301.03696	0.9
302.01099	26.2
302.04208	1.7
303.00854	9.7
316.99161	1.2
319.01971	2.0
320.02322	1.9
324.02505	1.3
325.02609	1.4
366.03726	1.5
367.02280	3.0
384.04758	3.3
385.03098	11.6
386.03137	2.3
401.01151	1.7
402.00995	1.3
403.04327	19.8
404.04330	1.2
408.00098	1.9
408.04892	2.5
426.00507	6.5
426.06372	7.5
427.00937	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	409.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61042	4.8
56.96556	14.2
69.53739	42.4
73.02927	6.0
77.00895	6.0
81.03431	4.9
85.02881	9.8
89.03943	5.9
95.04955	5.5
97.02887	11.2
98.97591	7.8
101.00863	27.5
101.48149	5.0
103.02435	5.9
113.00861	8.2
115.02452	8.4
116.98603	9.6
119.01909	97.5
121.01671	7.6
131.01904	50.6
133.03464	35.9
137.02979	14.8
143.01872	62.3
144.02032	5.1
145.03470	89.5
147.03209	10.2
147.05008	11.8
149.02928	12.5
155.01862	46.1
157.01637	7.9
157.03452	29.6
159.05009	13.1
161.02945	99.1
163.03830	52.9
164.04314	7.2
168.99860	17.3
169.03418	39.3
171.01408	9.8
171.05037	22.8
173.01543	10.6
173.02948	100.0
175.02751	9.8
175.04509	14.4
181.03484	8.0
183.01421	9.2
183.05103	7.6
185.02899	35.3
185.06610	6.0
187.00905	16.2
187.04510	61.9
188.02405	5.7
189.02490	26.2
190.02594	5.6
191.02271	6.3
191.04047	14.8
195.04988	8.8
196.04390	5.5
197.02888	24.9
197.06660	6.9
199.00932	22.9
199.04529	13.9
201.02393	16.8
203.03973	24.7
205.03729	6.0
207.03416	9.1
209.03018	8.3
211.00989	8.7
211.04488	53.1
213.02455	11.5
213.05966	11.9
215.00438	14.7
215.03865	26.4
217.01910	32.7
219.03532	8.6
221.05009	12.7
223.04567	8.7
227.04025	10.1
229.05504	19.0
231.03392	31.6
235.04532	13.2
237.02722	5.4
239.03952	12.1
241.05702	9.6
243.03586	10.5
245.04990	11.0
249.04498	5.4
251.06221	12.2
253.05548	14.0
257.04715	9.6
259.02933	15.7
261.04614	10.2
263.06320	6.5
271.03384	7.0
271.06580	37.5
273.04532	13.5
275.02524	9.0
275.06055	11.5
287.05679	9.1
289.04062	54.6
289.07666	66.9
299.06168	11.7
301.04083	27.7
301.07642	13.3
303.09500	32.8
304.09866	5.9
305.04025	6.6
305.07086	34.5
307.05103	71.5
307.08728	31.4
317.07147	35.1
319.05063	19.8
319.08737	12.3
325.67673	6.2
329.06860	6.2
330.06750	7.1
331.08676	7.6
333.06479	6.3
335.08176	21.4
337.09683	11.6
347.08133	10.6
349.09335	7.2
359.08264	29.8
377.09448	13.5
391.11078	53.4
392.11194	7.6
394.95694	5.6
409.11206	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
55.05488	0.7
67.05489	1.5
69.03430	1.8
69.17867	9.0
77.00860	0.7
79.05492	0.8
81.07037	1.5
85.02868	1.5
91.05477	1.6
93.07039	1.8
95.08613	1.8
97.02882	1.0
99.04475	1.1
105.07011	2.5
107.08567	1.8
117.06992	1.0
119.08556	1.5
121.10068	0.9
123.08085	0.9
131.08553	1.0
133.10123	1.6
134.31252	1.0
151.07549	1.0
153.01807	5.2
161.09641	1.3
185.04208	21.4
203.10408	1.2
229.04893	1.3
235.08200	1.1
237.09717	0.8
239.11253	2.6
247.09402	100.0
248.09917	4.2
257.04474	1.1
265.09164	4.5
283.10126	4.5
307.10358	1.0
365.14639	2.3
383.15167	1.6
409.14551	55.3
409.18518	17.6
409.26892	1.5
410.14740	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
56.07561	0.5
60.99158	0.6
69.22880	4.7
69.23306	1.9
78.01790	1.4
81.07045	0.8
83.08562	1.1
84.04488	1.4
88.24637	0.6
95.18317	0.5
98.09714	0.7
105.50401	0.7
115.03799	0.6
116.01671	1.8
118.01225	1.0
138.12553	0.6
162.02187	1.3
164.01767	0.6
198.07867	1.6
199.08667	3.1
200.09435	0.8
202.95953	0.6
211.08626	6.0
212.09312	1.5
213.10220	2.3
215.11769	1.6
217.09663	2.4
223.12296	0.9
225.06674	0.6
225.10179	5.4
226.07330	0.7
226.10944	1.1
229.09680	3.1
231.11348	1.3
236.09534	0.7
239.08124	7.2
239.11734	3.4
240.08879	2.8
241.09718	5.8
242.10339	0.8
243.07672	1.6
243.11232	6.5
249.10139	0.6
251.11905	1.4
252.08934	1.0
252.98079	0.7
253.09711	7.8
254.10504	0.8
255.11130	0.7
257.04443	0.9
257.09137	2.3
257.12946	0.8
258.09970	1.5
259.10684	4.6
261.10886	1.4
262.10938	3.1
263.11343	0.8
267.07684	1.8
267.11218	5.2
268.08371	5.0
269.09329	0.9
269.12704	0.8
271.10751	29.2
272.11169	1.3
273.12350	1.8
275.10278	3.1
277.11948	3.5
281.09235	0.9
283.10907	0.6
285.08774	1.6
285.12283	5.5
289.11768	2.0
295.10718	4.2
299.13870	0.9
300.10992	1.1
303.09720	1.3
303.13168	1.0
313.11731	6.9
317.11359	3.4
317.14792	0.8
323.10193	8.6
327.13461	1.8
331.12888	0.8
335.12228	3.1
341.11316	17.3
342.11646	1.0
345.14404	2.5
349.14093	0.8
355.12973	4.1
359.12329	1.9
363.15396	0.9
373.13855	13.2
391.14969	23.0
392.15207	0.9
409.16003	100.0
410.16391	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.3
56.32172	0.3
67.05488	0.5
67.67069	0.3
69.03391	0.6
69.07050	0.4
70.06570	0.7
70.52746	0.7
71.04977	0.4
79.05480	0.5
80.80588	0.3
81.03428	0.3
81.07033	0.6
85.02861	0.6
86.09674	1.0
91.05463	0.6
95.08590	0.8
105.07004	0.7
107.04981	0.5
107.08566	0.7
117.67448	0.4
118.61175	0.3
119.04929	0.5
119.08550	0.7
121.10139	0.6
123.04422	0.4
133.10168	0.6
142.56689	0.4
147.04422	0.6
153.01822	2.0
189.08893	0.5
229.12088	1.3
247.09534	0.5
247.13153	1.7
257.04471	0.4
270.97003	0.4
285.09338	0.7
409.18280	100.0
410.18634	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70728	0.2
68.65401	0.3
69.03399	0.3
69.07050	0.4
71.50497	0.3
71.54358	0.3
79.90493	0.3
91.05423	0.4
91.24335	0.2
93.07030	0.5
95.08569	0.5
97.02827	0.3
107.08578	0.6
109.10144	0.4
133.10161	0.4
136.11928	0.4
137.05960	0.6
147.11655	0.5
149.86510	0.3
151.07472	0.3
161.13301	0.3
165.12717	0.3
187.45886	0.3
203.05301	0.4
211.16922	0.6
212.17294	1.1
230.14706	0.4
247.09415	9.2
247.13075	3.3
257.04462	0.6
265.09204	0.7
272.12784	0.3
285.09326	0.3
400.74420	0.3
409.18298	100.0
410.18613	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01851	1.9
55.05503	18.4
57.07061	5.5
59.04986	2.4
65.03928	2.8
67.05499	21.3
69.03418	5.8
69.07050	8.1
69.66855	10.3
71.04977	1.4
79.05484	19.0
81.07045	30.6
83.04967	5.9
85.06528	1.9
91.04896	1.9
91.05465	32.3
93.07034	42.0
95.04359	2.3
95.04963	44.0
95.08016	1.0
95.08591	25.4
97.06512	5.7
98.21473	2.6
103.05454	4.5
105.07019	100.0
105.46825	1.4
106.07291	2.2
107.08573	21.1
109.06511	11.7
109.10130	8.2
111.08078	2.0
115.05441	2.9
116.06173	1.3
117.07008	10.8
119.04967	1.5
119.08571	64.3
121.06481	15.0
121.10120	13.4
123.08052	14.5
124.84236	1.4
124.85194	1.6
128.06215	4.5
129.06976	5.1
130.07755	3.9
131.08571	18.0
133.06479	5.7
133.10123	16.6
135.08040	12.6
135.11632	2.9
137.06055	1.4
137.09593	8.0
137.13248	1.7
141.06952	3.9
142.07762	9.3
143.08554	14.2
144.09291	3.5
145.06439	2.3
145.10112	32.4
146.10779	2.3
147.08037	15.7
147.11679	39.8
149.09601	10.6
151.07512	16.1
153.09059	1.5
155.08545	4.4
156.09308	3.3
157.10086	17.5
159.08054	5.7
159.11691	11.8
161.09607	6.8
161.13277	5.2
163.07637	1.6
163.11179	4.7
165.07021	2.3
165.09097	31.9
167.08537	2.4
168.09328	3.3
169.10095	9.4
170.10910	1.9
171.11682	8.4
173.09607	5.0
173.13248	6.1
174.10361	2.7
175.11174	27.4
175.14755	3.0
177.09085	4.7
178.09872	2.4
181.10069	4.9
182.10745	2.2
183.11676	8.1
185.13263	6.2
186.10321	1.8
187.11131	4.0
187.14815	2.1
188.11873	1.7
189.12744	6.2
191.14229	3.1
193.10144	2.2
195.11679	2.6
197.13197	3.7
199.11110	1.8
201.12717	7.9
201.16388	2.1
203.14259	11.0
207.11945	2.0
207.13795	7.7
209.13246	2.0
211.14767	5.3
213.12566	3.2
215.14191	2.3
216.14995	1.8
219.13838	4.5
221.13423	2.2
221.15338	56.6
222.15692	4.3
223.14775	1.7
227.14328	2.3
229.15891	3.9
231.13835	3.2
233.13217	1.7
233.15337	2.5
234.16153	15.2
235.14644	1.7
253.15787	1.6
269.18881	1.5
273.18747	1.5
285.18558	1.5
286.19135	3.0
287.19977	4.8
299.20035	2.2
300.20917	4.7
312.20770	1.8
329.21088	4.4
335.20029	1.8
391.26184	4.8
405.36591	1.4
409.27374	34.5
410.27545	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	409.2731
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03928	4.1
55.01865	2.5
55.05504	16.4
57.07062	5.9
59.04988	4.3
64.14114	1.0
65.03926	2.8
66.65317	1.4
67.05492	17.8
69.03420	7.3
69.07064	5.7
69.84844	5.3
69.85256	2.0
71.04979	2.2
79.05476	19.5
81.03394	2.4
81.07047	27.9
83.04967	5.5
83.08599	1.9
85.06517	3.7
86.25039	1.1
91.05466	32.5
93.07030	42.4
93.52581	1.1
95.04955	41.2
95.08041	2.1
95.08598	24.2
96.08896	1.2
97.06513	6.7
98.20881	1.0
103.05455	3.1
105.07018	100.0
107.04974	1.7
107.08578	19.7
108.40511	1.0
109.06511	10.6
109.10126	7.4
111.08078	3.1
115.05447	2.4
117.07001	13.8
119.04941	2.4
119.08569	61.1
121.06488	13.8
121.10135	13.1
123.08054	15.8
128.06232	5.6
129.06987	5.6
130.07758	4.2
131.08551	21.1
132.09308	1.4
133.06512	5.9
133.10106	17.0
135.08044	12.8
135.11673	5.3
137.05978	1.3
137.09613	9.3
141.06982	4.1
142.07785	9.4
143.08540	11.5
143.87779	1.4
144.09277	1.6
145.06473	2.0
145.10101	32.4
147.08055	12.8
147.11673	42.3
148.08780	1.6
148.11877	1.3
149.09607	10.9
150.10384	1.6
151.07530	17.2
151.11102	1.3
153.09081	2.3
154.07730	1.7
155.08549	6.3
156.09358	5.5
157.10114	18.2
158.10786	1.5
159.08031	6.6
159.11667	11.8
160.08807	1.8
161.09529	6.5
161.13251	4.9
163.07445	1.5
163.11159	4.7
165.07019	1.8
165.09085	25.0
166.09445	1.5
167.08594	2.0
168.09338	2.9
169.10132	6.8
170.10803	1.7
171.11647	7.5
173.09607	5.2
173.13258	7.4
175.11174	29.2
175.14830	1.2
177.09074	3.2
178.09822	1.8
179.08614	2.7
181.10155	3.4
181.12117	1.6
182.10925	1.8
183.11664	9.4
185.09621	1.6
185.13217	4.8
187.11182	2.6
187.14799	2.6
189.12711	5.3
191.14305	2.5
192.11256	1.1
193.10204	1.4
195.11716	3.3
197.13261	3.0
199.11153	2.8
199.14778	2.0
201.12708	8.3
201.16444	2.7
203.14256	11.2
207.11891	1.6
207.13763	7.0
209.13260	3.4
209.15240	2.1
211.11224	1.5
211.14748	4.7
213.12698	3.2
214.13359	1.3
215.14305	1.2
216.15024	2.8
218.03206	1.2
219.13586	5.4
221.13312	2.6
221.15323	56.7
222.15677	3.1
225.16389	2.6
227.14424	1.6
229.15837	4.3
231.13747	2.7
233.15306	1.9
234.16110	16.8
237.16374	1.3
253.15746	1.5
269.18967	2.0
271.17020	1.4
284.99823	1.3
285.18365	1.4
286.19186	4.1
287.20102	6.9
300.20709	6.0
312.20895	1.4
326.22238	1.4
329.21033	4.0
391.26520	5.5
392.31537	1.3
409.27335	33.8
410.18085	1.3
410.27820	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	409.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.2
55.01852	21.6
55.05508	46.2
57.07072	61.4
67.05497	13.6
69.07063	100.0
71.08610	41.9
71.54516	13.5
81.07030	42.3
82.62550	10.5
83.08605	61.5
85.10153	24.1
93.07030	35.6
95.08578	33.7
97.10135	44.1
105.07039	11.7
107.08575	26.7
108.50562	10.1
109.10179	18.6
111.11691	20.6
119.08579	25.4
121.10104	20.8
123.08028	12.1
125.02325	61.0
125.09631	10.2
125.13273	13.8
127.03889	56.7
135.11606	11.5
139.07516	18.7
145.10104	13.3
147.97952	9.4
149.09590	12.3
155.12820	11.9
169.08609	27.9
169.19547	11.5
177.09123	24.9
183.10150	20.5
195.10159	31.5
220.63835	10.2
251.16283	14.0
292.55908	10.9
337.09647	10.1
345.31461	13.7
365.21503	11.5
373.30975	54.0
391.32034	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3825
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05500	20.4
57.07061	16.7
62.91516	4.0
67.05508	26.0
69.07063	77.1
69.83829	22.2
79.05486	20.7
81.07050	93.2
83.08604	30.4
91.05466	11.8
93.07028	33.0
95.08599	89.0
97.10165	7.8
105.06989	26.5
107.08582	44.3
109.10142	62.8
111.11712	5.8
117.07030	4.6
119.08575	35.2
121.02472	4.4
121.10137	43.9
123.11696	33.1
123.32457	4.5
131.08531	9.5
133.10094	29.1
135.11676	31.6
137.13237	20.4
145.10120	19.1
147.11662	23.3
149.13248	25.2
159.11667	21.5
161.13248	20.6
163.14824	16.8
171.11653	5.4
173.13237	17.5
175.14816	14.2
177.16463	10.6
187.14838	12.3
189.16377	12.6
191.17935	5.9
201.16336	14.0
203.17975	12.6
213.16350	8.0
215.17996	11.3
217.19565	8.3
229.19501	13.6
231.21037	5.3
243.21141	7.9
245.22626	5.2
257.22653	13.1
259.24197	7.3
271.24323	6.2
285.25818	10.4
339.30585	5.0
353.31778	6.0
409.38257	100.0
410.38754	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	410.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62541	1.1
55.05497	2.1
57.07056	5.3
58.06578	1.9
62.60219	1.3
65.03939	2.1
67.05487	2.0
69.07063	1.6
70.06581	18.5
71.08610	3.8
71.57709	2.0
79.05480	2.8
81.03443	1.5
81.07041	4.4
88.07083	1.9
88.07613	22.6
91.05467	2.4
93.07077	1.6
95.08619	2.2
102.09170	18.1
109.10109	1.5
121.02817	1.4
121.10064	1.3
122.18540	1.3
131.08501	1.9
133.10121	2.0
135.11642	1.5
139.03886	2.1
147.11681	2.0
149.02332	61.0
149.03406	2.7
150.02684	2.1
177.11273	1.8
184.05618	1.6
193.04950	61.7
194.05260	2.8
197.13287	1.5
198.37869	1.8
200.20078	70.2
201.20349	2.7
237.07542	75.4
238.07867	2.9
259.20447	1.7
267.09024	1.4
273.25940	1.3
285.10135	4.5
404.40668	1.3
410.25317	100.0
411.20459	2.1
411.25244	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	411.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17116	6.8
56.96550	16.2
66.67733	6.5
70.46948	9.1
70.47280	19.9
85.02905	7.2
93.75111	6.1
94.75956	7.1
95.81873	7.2
98.97562	15.3
102.93837	7.3
121.02818	8.3
122.57587	7.0
124.99078	8.3
133.03438	9.9
143.00128	13.3
161.01178	15.3
171.05083	12.4
189.00848	10.3
211.98175	7.7
223.01205	7.9
245.04947	9.1
246.76422	7.5
248.53943	7.5
256.73434	7.8
291.00269	9.0
351.11292	27.7
411.06619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59995	4.6
56.96564	50.0
60.11129	5.2
69.03423	10.6
69.49297	43.4
70.06573	4.8
79.05466	8.9
83.04984	5.7
85.02877	8.9
89.03915	16.1
91.85056	4.7
95.04951	5.9
98.20741	11.6
98.97560	15.4
107.04937	6.9
111.04426	12.1
116.98598	12.5
117.03379	8.5
117.99670	5.4
124.99215	8.5
134.99648	11.2
135.04417	25.0
139.32976	5.5
143.00137	15.6
143.01907	7.6
145.02838	16.8
147.04445	8.6
149.02261	6.0
150.05455	9.9
161.01202	24.8
163.03900	100.0
163.06029	6.7
164.48376	5.1
177.00648	5.9
178.04956	12.8
180.97975	4.8
185.01213	11.7
187.02774	10.5
189.00723	10.3
190.18967	5.8
192.06517	7.4
203.02168	9.6
204.28618	5.0
213.00629	12.6
220.05984	10.3
221.03201	6.2
231.01761	23.0
237.00644	6.8
249.02960	26.3
249.12416	6.5
255.01732	17.6
267.03879	12.9
273.02802	19.2
291.03867	11.2
309.05087	6.8
366.76627	6.4
411.06616	55.3
412.12265	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	411.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43490	0.4
56.96519	0.9
62.22406	0.5
67.05503	0.7
67.18721	0.4
69.03412	0.9
70.23407	2.3
81.07030	1.3
91.05437	0.8
93.07027	1.2
95.04948	0.6
95.08595	1.4
98.20836	0.6
100.11250	0.7
100.82136	0.6
105.07024	1.0
107.08590	0.8
121.10074	0.6
130.80103	0.5
134.39183	0.4
135.08020	0.6
137.05974	1.1
183.65564	0.5
185.04321	1.0
194.64723	0.5
223.06226	0.6
223.11699	1.5
241.12837	2.3
249.10970	100.0
250.11343	2.3
261.11783	0.5
267.10632	3.0
277.97394	0.5
285.11789	2.1
314.18231	0.5
367.15967	0.6
411.16132	28.3
412.16486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
62.04351	0.5
67.05495	0.6
69.61053	3.8
72.10345	0.5
81.07036	1.1
83.08571	0.6
91.05478	0.6
93.07038	1.0
95.08619	1.2
105.06982	1.1
107.08569	0.9
117.17494	0.5
119.08572	0.7
121.10156	0.7
123.04404	0.5
131.08557	0.6
131.25287	0.5
133.10075	0.6
137.05949	1.7
143.08553	0.7
151.07507	0.7
159.09177	1.5
179.06976	0.8
185.04192	2.4
190.08775	0.5
221.10097	0.7
223.11742	1.8
231.13812	0.5
241.12881	3.6
249.10971	100.0
250.11215	2.6
257.59171	0.5
267.10687	4.9
277.34808	0.5
285.11844	3.8
367.16177	1.0
411.16156	52.1
412.16745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2525
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
50.37476	4.1
55.05504	15.1
67.05508	34.4
67.05823	4.9
69.07049	8.9
69.36652	46.9
79.05466	11.0
80.08675	4.9
81.07037	23.1
85.06510	4.4
91.05470	11.8
93.07037	24.2
95.04971	9.2
95.08602	48.0
97.06522	5.1
97.10155	11.5
105.07020	16.7
107.08590	23.0
109.10154	19.8
111.08065	12.1
119.08556	8.4
121.10123	15.1
123.08031	12.1
128.06255	7.9
129.07001	18.5
131.08591	6.3
135.11688	18.1
137.09579	8.3
141.06998	13.3
141.09109	11.0
143.08559	82.2
149.13199	4.9
151.20892	5.1
153.47052	4.7
154.07750	5.4
155.08545	37.2
157.10114	13.2
161.13225	5.0
163.07497	7.2
168.09306	5.1
169.10100	91.6
171.11719	12.7
179.08598	6.5
181.10106	8.7
183.11655	45.9
185.09511	12.2
189.09059	12.4
193.10181	13.3
195.11662	12.1
197.09557	10.4
197.13280	9.9
203.10652	100.0
207.11615	10.8
209.09560	11.9
209.13187	31.0
211.11140	18.3
211.14848	14.7
215.10649	35.8
221.13391	5.6
223.11180	9.2
225.12724	6.1
227.10561	7.6
229.12144	23.4
235.11217	5.8
235.14864	6.2
237.12694	13.3
239.14436	6.4
243.13701	12.5
249.12762	21.6
251.14310	27.9
252.15193	5.2
253.15892	8.1
265.15903	8.3
269.15414	7.6
271.16910	5.4
274.05029	5.4
279.17374	13.1
281.15350	8.6
295.16772	5.4
333.18594	5.6
347.23700	7.7
357.22034	7.6
375.23196	69.9
376.23666	9.2
393.23996	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	411.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	12.0
59.38403	4.4
65.49889	4.0
67.05486	18.7
69.07037	7.3
69.47348	38.1
79.05476	8.4
81.07027	15.8
83.08637	7.1
91.05462	9.2
93.07035	24.1
95.08597	32.2
95.50893	3.9
97.10146	4.4
105.07005	7.0
107.08566	12.9
109.06493	6.0
109.10132	19.1
111.08073	7.1
117.06971	7.9
119.08542	8.4
121.10105	13.8
123.08054	9.6
125.09592	4.6
128.06187	9.8
129.06960	22.0
133.10083	5.7
135.11696	8.5
135.54587	5.1
137.09639	6.3
139.10956	3.7
140.13091	4.2
141.06984	6.3
141.09068	8.8
143.08542	100.0
145.10103	5.3
149.13185	6.4
149.72737	4.4
155.08536	36.7
155.10538	5.7
157.10060	20.3
169.10101	30.3
171.08008	11.8
171.11618	8.7
179.08543	4.8
181.10117	8.2
183.07973	5.8
183.11632	16.4
185.09598	25.6
189.09108	5.5
193.10207	8.2
195.11597	10.8
197.09579	6.9
197.13170	6.4
203.10657	70.6
207.11693	11.3
209.09639	7.5
209.13194	11.8
211.11165	8.3
215.10683	29.3
223.11058	7.6
227.10658	4.7
229.12189	9.6
237.16426	5.4
249.12622	5.8
251.14268	10.3
252.10971	4.1
269.15262	5.2
279.17526	5.8
317.18942	6.8
319.20520	4.3
347.23477	4.9
370.26953	4.6
375.23206	23.4
393.24142	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	411.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05504	25.1
57.03441	10.3
57.07070	100.0
59.05004	2.0
61.69248	1.6
65.03921	1.8
67.05498	40.8
69.03423	2.0
69.07060	9.8
70.19227	8.0
71.04985	4.4
76.89418	1.5
79.05487	27.3
81.03410	35.4
81.07043	38.5
83.04961	9.4
83.08614	19.7
85.02894	17.8
85.06532	2.9
91.05472	21.7
93.07034	21.0
95.04945	16.6
95.08595	14.2
97.06503	4.5
97.10175	8.1
98.21399	1.9
105.07025	15.4
107.04955	3.4
107.08579	14.2
109.06522	3.8
109.10148	13.5
111.08050	11.2
113.06030	2.4
119.08577	12.5
121.06480	2.0
121.10134	6.9
123.11705	2.9
125.09638	6.8
127.11182	37.0
129.06985	7.0
129.45013	1.8
131.08562	10.0
133.10094	8.8
135.11658	4.2
143.08516	2.3
147.08038	2.0
147.11629	8.8
149.09656	3.2
149.13268	7.2
157.10110	11.0
159.11668	5.0
163.11171	2.0
165.12744	2.8
169.10136	4.0
175.11183	10.1
177.12730	2.9
189.08971	2.1
193.12219	38.2
199.13243	8.1
201.14836	3.6
203.10651	3.1
209.97615	1.8
211.11264	3.5
211.13252	35.9
229.08696	1.8
269.17526	8.6
375.23456	2.0
393.25931	3.3
411.27380	64.2
412.27832	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	411.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22658	1.5
53.03938	2.1
55.01863	2.0
55.05505	12.9
57.03434	8.5
57.07069	100.0
67.05165	2.4
67.05501	33.6
69.03406	3.6
69.07055	5.7
69.51073	3.8
69.51473	10.4
71.04984	3.4
79.05479	20.6
81.03407	36.3
81.07056	25.5
83.04510	1.5
83.04961	8.3
83.08611	16.7
85.02897	20.7
85.06521	3.3
91.05463	15.6
93.07047	15.9
93.82861	1.3
95.04946	16.4
95.08591	6.9
97.06523	3.8
97.10162	6.0
105.07022	10.6
107.04961	3.2
107.08601	9.2
109.06505	2.5
109.10154	12.3
111.04448	2.1
111.08067	6.9
117.06962	2.0
119.08566	12.6
121.06543	2.0
121.10131	6.2
125.09607	5.4
127.11172	33.9
129.06981	6.9
131.08553	6.9
133.10101	5.3
141.25824	1.5
142.07797	2.0
147.08011	2.3
147.11700	8.5
149.09605	4.3
149.13239	3.7
150.62567	1.6
157.10071	7.4
165.12721	2.3
175.11185	8.4
193.12216	47.6
193.13840	2.9
199.13329	5.3
201.14806	4.1
211.13271	39.8
211.15250	2.4
267.15833	2.0
269.17404	3.1
391.36365	2.1
411.21851	3.6
411.27362	59.5
412.27701	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	412.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.1
55.05499	5.4
56.13913	1.5
56.96555	11.1
57.03428	4.4
60.56892	1.6
61.02916	3.9
64.88154	1.8
65.03932	9.0
67.05490	5.0
69.03406	5.1
71.23645	4.1
73.02884	4.8
76.23825	1.6
79.05475	3.0
81.03413	5.1
83.04962	8.3
84.95999	2.7
85.02917	9.6
89.03905	5.1
91.05454	2.4
93.03386	13.8
95.04959	14.1
97.02885	4.9
98.97564	9.4
107.04911	3.0
109.02855	2.2
111.04411	4.7
116.98605	5.2
117.03377	6.0
118.03646	1.9
119.01820	4.4
121.02853	54.5
123.04433	2.3
125.04488	4.8
127.03944	3.0
128.98581	3.8
129.03966	2.1
131.01883	4.7
135.04411	11.1
139.02371	2.7
139.03917	3.3
140.01135	1.6
141.03957	2.6
143.00145	7.0
145.02859	5.6
151.02406	2.8
153.03955	8.7
155.01852	2.5
157.03450	6.9
158.99643	3.4
159.05000	2.5
161.01210	8.2
161.02725	1.9
163.03891	67.6
164.04250	7.8
169.03439	23.3
170.99648	3.1
171.01091	1.7
171.05026	18.4
173.02930	4.5
177.00674	3.6
179.01909	10.4
182.03285	3.0
185.01164	2.4
187.04498	7.5
189.00592	4.4
189.02283	2.8
189.07512	1.7
191.03908	3.1
195.01453	5.0
197.02928	74.5
198.03166	3.0
203.02246	3.3
213.00555	2.2
215.02312	2.2
215.03978	57.3
216.04300	2.3
219.01674	2.8
219.05141	2.5
233.05034	5.2
238.05687	2.4
245.06657	2.9
249.02820	4.6
261.06152	2.6
263.04260	5.2
263.07639	3.8
265.05624	2.1
267.03775	2.9
271.04456	6.7
272.06543	2.8
273.02908	2.1
273.06088	7.3
279.07251	2.3
285.04999	2.6
289.05545	7.1
291.03784	3.8
291.06995	5.2
299.03940	13.8
307.06546	5.4
309.04697	6.4
309.08194	5.5
317.05020	15.1
325.07547	3.7
327.05676	3.7
335.06137	20.6
340.06622	1.8
345.06720	1.9
353.07141	17.7
356.79803	1.6
371.08221	34.4
389.09277	100.0
390.09512	6.3
407.10422	1.8
412.10645	7.4
412.15872	3.0
437.09454	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	412.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
55.05504	2.5
56.96563	9.4
57.03426	1.5
58.06591	1.9
61.02912	2.6
65.03919	6.0
67.05487	4.4
69.03418	2.9
69.35330	12.6
73.02929	1.7
79.05481	2.0
83.04967	5.5
85.02898	7.2
89.03900	10.5
89.27465	1.4
91.05470	2.7
93.03389	14.7
95.04951	8.1
97.02902	3.8
98.97584	8.4
102.92857	1.5
107.04938	4.1
111.04431	5.8
116.98622	4.7
117.03367	9.9
119.01832	2.1
121.02853	47.4
122.30365	1.4
122.73849	1.5
123.04418	7.0
124.99147	1.9
125.04470	4.3
127.03860	1.6
129.06812	1.4
130.96573	1.3
131.00201	1.7
131.01898	3.5
131.04901	2.2
134.99603	2.3
135.04384	20.3
136.80817	1.5
137.03018	1.4
139.02470	1.7
139.03871	4.4
141.03986	1.9
143.00168	11.6
145.02838	7.0
146.99585	2.3
149.05997	1.6
153.03972	8.2
153.05144	1.5
157.03442	5.4
159.28703	1.4
161.01175	11.9
161.02832	2.4
162.01617	2.0
163.03889	100.0
164.04236	7.2
169.03448	23.4
170.99666	1.6
171.01379	1.9
171.05008	16.9
173.02911	3.3
175.07567	2.5
177.00606	2.2
178.08589	2.2
179.01872	7.0
185.01237	5.3
187.04449	9.0
189.00668	4.3
189.02399	2.7
191.03957	2.2
191.07056	2.2
194.06798	1.5
195.01416	4.6
196.52660	1.6
197.02922	57.5
201.00810	3.6
203.02206	2.5
211.04538	1.5
213.00468	1.6
215.02084	3.1
215.03990	44.2
216.04294	2.2
219.01663	1.8
220.04443	2.8
220.09650	9.3
231.01712	2.1
233.03073	1.6
233.05043	7.7
238.10725	6.2
245.06630	3.6
249.02853	4.6
257.05042	1.8
263.04193	4.0
263.07535	2.1
267.03796	7.5
271.04422	4.2
273.06158	5.9
274.03171	1.6
279.07025	1.9
281.02649	2.1
281.05499	2.9
285.04770	5.0
289.05661	5.7
291.00470	1.6
291.03644	3.7
291.07092	5.5
292.00534	2.6
294.39072	1.6
299.03992	12.4
305.64209	1.5
307.06668	4.6
309.04791	8.3
309.08072	2.6
310.05060	2.1
317.05005	9.6
325.07895	3.3
327.05600	3.9
335.06058	15.1
345.06744	3.1
352.05191	2.2
353.07187	14.1
363.02271	3.6
371.08240	30.3
377.03616	3.4
389.09286	74.0
390.09378	6.9
394.09845	3.8
395.05023	3.9
401.07935	1.9
412.10754	7.7
412.15973	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22165	1.0
53.03926	2.5
55.01858	1.9
55.05503	56.7
57.03430	25.0
57.07067	56.5
57.47044	1.0
60.53206	1.0
67.05167	1.4
67.05499	23.4
69.03407	3.8
69.07059	75.9
69.39479	1.6
69.39877	8.9
70.07405	1.0
71.04981	1.8
71.08623	37.6
73.06534	1.3
75.04451	1.3
79.05479	9.9
81.03397	3.7
81.07047	34.6
83.04961	3.7
83.08607	50.8
84.08942	1.4
85.02927	1.1
85.06535	1.9
85.10175	20.1
91.05461	3.0
93.07031	15.2
95.04961	1.9
95.08589	31.7
97.06520	11.2
97.10155	31.6
99.08080	1.9
99.11736	2.1
101.05992	2.4
107.08579	12.0
109.02894	1.3
109.10137	15.7
111.08051	7.3
111.11703	10.9
113.09595	1.3
115.07561	3.0
121.10139	14.8
123.11698	5.3
125.09596	8.4
125.13249	4.3
129.09103	2.4
133.10130	1.6
135.11685	10.8
137.13264	3.6
139.11140	9.1
139.94136	1.0
143.10593	3.1
149.13225	10.7
151.14836	2.2
153.12730	6.8
157.12157	1.8
163.14812	5.7
167.14313	4.0
171.13855	1.5
177.16400	3.8
181.15866	4.1
185.15285	1.6
191.17911	3.2
195.13695	1.5
195.17409	4.0
199.16840	1.1
205.19466	2.1
209.19049	2.9
213.18562	1.2
219.21071	2.4
223.20557	2.2
233.22476	1.5
237.22141	1.5
303.30429	6.3
321.31482	14.6
322.31921	1.7
339.32611	1.6
395.35104	17.9
413.21765	6.2
413.36215	100.0
414.36768	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	413.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.05496	18.3
57.03426	9.5
57.07060	13.7
67.05495	39.5
69.03415	16.6
69.07066	33.4
69.71253	3.6
71.04987	14.8
71.57111	6.1
79.05486	25.0
81.03424	22.6
81.07047	100.0
83.04954	7.6
83.08607	18.2
85.02898	7.6
85.16480	4.1
91.05490	14.3
93.07047	43.4
95.08598	83.3
97.02905	9.0
97.10167	5.8
99.04420	5.9
99.08098	6.1
105.07016	29.7
107.08575	51.3
109.10139	78.9
111.11775	5.3
116.59459	3.9
117.07042	4.9
119.08563	32.2
121.10128	49.1
123.11700	40.6
127.03934	5.4
127.11212	15.0
129.16348	4.5
131.08556	8.7
133.10112	22.1
135.11676	44.2
135.53415	5.7
137.13251	17.5
145.10149	7.6
147.11653	16.2
149.13231	40.2
151.14847	6.6
153.12758	8.7
159.11723	13.6
161.13234	15.6
163.14793	26.0
175.14812	17.2
177.16370	19.6
189.16385	13.8
191.17891	10.5
195.13876	7.1
203.17999	14.4
205.19524	4.5
217.19548	13.0
231.05923	4.2
231.90765	4.4
245.22659	11.6
249.22116	5.7
271.24155	4.9
327.30453	8.1
395.36795	11.9
413.21707	27.4
413.32281	56.5
413.37732	54.9
414.38046	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	414.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.9
56.05022	11.1
60.04522	6.9
65.03930	16.1
67.05506	25.7
68.99763	5.7
69.03423	16.4
70.20875	7.1
70.21269	12.0
74.11981	4.2
83.04974	76.0
84.04488	44.7
85.02892	17.3
89.03922	6.0
89.81402	3.6
93.03402	24.8
95.04939	22.0
102.05584	9.1
103.05447	10.3
107.04948	15.3
109.02907	5.4
110.48764	3.8
111.03692	6.1
111.04434	78.1
114.64187	3.9
115.05400	7.2
117.03383	6.5
121.02838	15.5
121.06494	7.0
123.04415	83.4
129.05479	32.8
130.06575	7.9
131.04918	15.2
132.04456	5.3
132.08145	6.1
133.02838	23.0
133.06450	5.4
133.89229	3.7
134.06053	5.7
135.04387	28.3
136.07635	6.6
138.05559	5.3
139.03915	34.3
143.04915	8.3
145.02840	9.0
148.07579	11.8
148.74005	4.2
149.02339	8.8
149.05943	24.3
150.05481	13.1
151.03883	18.1
152.07079	12.4
153.05412	6.5
155.03534	4.1
157.04947	14.9
158.06001	25.2
159.04414	11.5
161.02260	5.6
161.05956	17.9
162.05504	13.0
163.03908	76.5
164.07033	9.5
165.07843	39.1
166.04991	4.7
166.08618	14.5
173.36890	4.9
175.06023	15.1
176.07047	72.3
176.08525	5.6
177.05415	34.2
178.04980	5.3
178.08617	17.3
179.03407	33.3
180.06564	11.6
181.04955	6.3
186.05510	28.9
187.03839	12.8
194.04498	4.4
194.08133	25.3
196.06070	4.8
197.04382	6.0
204.06529	100.0
205.04996	32.6
217.08557	9.9
220.06081	3.8
222.07619	89.6
222.09613	7.0
223.02489	4.8
223.06035	20.9
240.08664	17.4
276.10678	6.7
353.08640	19.5
396.12805	49.6
397.11404	11.0
414.13974	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
55.55996	4.4
56.05027	9.0
65.03926	9.5
67.05506	16.2
69.03419	11.1
70.68075	13.2
73.81606	4.8
83.04977	55.5
84.04492	34.5
85.02894	12.4
93.03413	19.9
95.04968	12.5
98.67994	4.6
102.05530	7.6
103.05463	4.1
107.04945	12.8
108.71939	4.3
111.04447	64.8
121.02841	10.9
123.04414	66.1
129.05479	25.1
131.04939	8.8
133.02849	12.6
134.06021	7.4
135.04411	12.3
138.37221	4.0
139.03888	36.6
143.04842	5.7
148.07565	11.0
149.02313	4.9
149.05977	14.9
150.05475	10.4
151.03865	23.5
156.50056	3.9
157.04973	23.8
158.06010	9.5
159.04404	7.5
160.07579	5.0
161.05951	13.1
162.05504	8.5
163.03889	59.3
164.07051	5.6
165.07849	39.3
166.08630	13.2
175.06012	9.7
176.07060	40.0
177.05542	26.6
177.06886	3.8
178.05019	12.7
178.08632	17.5
179.03375	23.4
186.05524	17.3
187.03880	6.0
194.08183	20.1
197.04573	4.4
203.05467	8.3
204.06548	100.0
205.04996	33.3
222.07581	84.1
223.06020	25.6
240.08644	17.5
249.29269	5.3
270.27005	4.4
276.10760	8.6
276.41360	4.3
289.02301	4.4
325.09088	6.6
353.08679	23.1
396.12912	41.2
397.11435	7.5
414.13983	54.1
421.25760	4.7
431.25110	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	414.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05503	4.6
56.05024	10.2
57.03427	5.7
60.04501	19.0
61.11362	3.2
65.03931	9.0
65.98868	4.0
67.05492	23.1
67.26889	3.9
69.03414	21.1
69.25662	3.4
70.85863	8.6
70.86198	3.9
71.01365	4.1
73.02895	9.2
79.05479	5.4
81.03396	4.1
83.04973	51.9
84.04503	37.0
85.02882	28.6
86.06065	3.9
86.09666	5.2
87.04439	6.3
89.03893	7.8
91.05471	7.0
93.03394	20.1
93.07023	5.5
94.06564	4.8
95.04948	17.7
97.02882	15.3
100.03960	4.9
103.05435	8.6
104.10747	4.2
105.03355	4.5
107.04953	29.3
111.04421	51.7
115.03919	17.8
115.05405	8.0
117.03401	5.9
120.08083	8.3
121.02853	11.2
121.06484	10.0
122.06038	4.4
123.04415	52.4
127.03917	6.2
129.05469	28.2
130.06552	4.6
131.04892	15.4
132.04395	3.7
133.02832	17.2
133.05003	13.9
133.06477	6.7
135.04420	22.9
139.03911	26.6
143.04880	8.2
145.02818	7.9
147.04413	7.9
148.07574	19.5
149.02367	5.6
149.05974	16.4
150.05521	10.3
151.03906	17.9
152.07074	8.5
153.01767	3.6
157.04968	30.1
158.05984	13.2
159.04404	11.6
160.07553	5.9
161.05978	21.3
162.05478	10.4
163.03897	82.5
163.06044	5.8
164.04161	5.6
164.07014	9.1
165.07878	24.6
166.08598	7.7
175.06006	11.7
176.07048	53.6
177.05455	27.9
178.04982	15.7
178.08635	24.4
179.03406	30.6
180.06500	10.0
181.04988	4.4
184.07352	3.9
186.05522	17.1
187.03874	12.8
194.08107	28.8
204.06537	100.0
205.04945	22.3
206.05267	4.9
222.07593	77.5
223.05965	13.7
224.87451	3.6
240.08693	25.6
251.05565	17.3
252.05791	29.1
276.10736	10.3
350.12042	5.6
353.08591	10.6
368.13760	3.6
378.12000	5.1
396.12878	55.6
397.11353	10.7
414.13904	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53510	2.4
55.01864	10.8
57.03426	20.7
57.07057	2.6
60.04511	4.3
61.02908	11.0
69.03413	27.6
70.89402	6.1
70.89738	5.3
71.01343	4.0
72.04498	2.9
73.02906	36.3
81.03396	6.6
83.04975	7.9
84.04514	6.1
85.02894	100.0
87.04460	5.1
89.03947	2.8
91.03947	6.3
93.03378	2.8
95.04976	3.4
97.02881	50.8
99.04445	4.2
107.04981	3.1
109.02841	6.3
111.04441	4.6
115.03921	29.1
123.04435	5.7
127.03905	25.5
130.79266	2.4
131.04962	3.7
132.06546	3.6
133.02858	3.2
133.04945	40.4
135.04475	4.1
139.03897	5.0
145.04958	49.2
147.04401	3.9
148.07587	5.0
150.07639	3.0
157.04868	3.2
162.05428	2.7
162.07632	4.8
163.03899	16.1
163.06017	20.8
176.07072	6.6
178.08836	2.9
179.03273	3.4
186.05510	3.0
194.08105	2.8
204.06581	14.7
204.08221	2.8
205.04897	3.8
222.07631	12.2
240.08797	3.0
241.07071	3.8
247.11751	5.4
252.05841	7.3
252.08339	2.8
252.12119	2.7
259.08112	6.4
351.87106	2.8
396.12866	8.3
414.13873	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	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44443	2.1
57.03197	2.6
57.03429	19.7
59.04986	3.8
61.02913	3.0
66.63327	2.2
69.03420	61.6
70.06567	2.4
70.78445	3.5
70.78772	4.1
73.02901	12.7
73.51711	2.1
75.04459	4.3
84.72949	2.4
85.02895	49.6
85.07649	24.6
86.07976	5.6
87.03928	2.3
87.04458	46.1
97.02878	59.5
99.04428	2.6
107.04935	10.5
108.05243	6.4
111.04473	2.4
112.73932	2.2
115.03918	89.6
127.03925	13.1
131.04939	7.4
133.04944	100.0
140.08679	2.4
141.64012	2.6
145.04929	21.4
149.05948	7.1
150.07590	7.8
163.06071	4.3
178.08771	2.3
180.08629	5.1
181.04953	9.6
198.68423	2.3
205.04893	2.8
206.05283	4.4
223.05945	3.7
241.07054	2.9
251.05484	7.6
252.05890	14.4
259.07971	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	415.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07595	7.7
56.11327	8.5
63.24204	8.0
69.03415	12.9
70.51896	25.5
73.82525	10.6
84.35953	9.4
119.11609	9.5
125.31178	9.0
136.06125	10.0
155.22264	10.2
203.54056	9.5
252.02975	8.5
354.97382	9.6
373.09891	12.9
415.09949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68299	3.1
61.32177	3.9
62.31569	3.1
70.19929	3.5
71.02607	7.6
71.02934	3.5
79.05470	5.8
91.05476	10.9
105.07039	5.6
107.04951	5.0
115.05439	4.0
117.07030	3.8
119.04928	6.3
121.06474	3.3
122.03645	6.1
123.08054	8.8
128.06192	7.8
129.06992	7.6
131.04881	4.1
131.08557	6.1
135.22849	3.1
137.04977	5.9
137.05962	81.8
141.07063	5.1
144.05748	4.1
145.06453	4.5
151.07550	11.4
153.01849	4.5
158.07233	4.3
159.08046	6.5
161.05966	15.0
161.09532	4.0
172.08762	5.6
173.09686	4.3
174.06728	8.6
175.07486	3.7
181.06479	5.7
182.07271	9.6
185.09615	13.9
189.09099	9.4
191.06987	6.2
195.07913	4.1
197.09636	12.1
198.06738	15.5
199.07483	12.4
201.09044	6.4
213.09134	29.2
215.10602	7.1
219.10110	8.3
225.09157	16.2
231.10194	4.5
243.10176	33.6
255.10063	4.1
261.08768	4.5
261.11258	8.4
273.11203	100.0
291.10117	4.6
317.11600	6.7
349.14301	7.1
354.14648	4.1
355.15094	4.0
367.15289	5.2
371.07513	8.2
397.16425	96.5
398.16574	4.5
415.19086	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	415.1746
Annotation	Falconensin F
Peak:m/z	Relative Intensity
51.02885	3.3
51.71965	3.8
53.75077	4.4
59.36964	3.3
67.05485	9.0
69.03410	5.5
69.07046	5.9
69.92193	18.9
70.06599	4.1
79.05480	11.0
81.07049	11.2
83.04949	4.2
85.06548	3.5
91.05428	20.3
93.07026	5.6
95.04938	4.9
95.08592	9.7
97.06525	8.8
98.21430	5.2
100.11242	5.7
105.07027	10.9
107.04929	4.8
107.08600	4.6
109.06522	3.4
109.10143	5.6
111.04421	4.4
111.08028	4.0
117.07026	4.8
119.04900	7.5
119.08593	7.0
121.06516	5.7
121.10123	7.0
122.03663	6.7
125.31017	3.5
128.06235	5.1
129.06993	16.2
131.04910	5.9
131.08597	19.8
133.10086	4.4
137.02347	4.3
137.05965	100.0
141.06992	12.7
144.05725	5.6
145.06546	4.1
147.04427	4.8
149.06033	4.2
151.03831	4.2
151.07535	14.8
151.11324	3.5
153.01797	8.3
155.08522	5.8
157.06442	8.4
158.07242	6.0
159.07967	16.6
159.11739	5.6
161.05981	15.4
161.09596	8.4
161.13284	3.2
163.07500	4.4
169.06433	6.1
171.08047	4.5
172.08833	5.8
173.06004	5.0
174.06721	23.9
175.07552	13.8
177.05505	5.6
179.06998	5.6
182.07178	6.3
183.08118	3.3
185.09557	6.3
186.06735	6.1
187.07549	17.9
189.09076	36.9
191.07065	6.9
191.10680	7.8
197.09616	9.2
198.06754	12.4
199.07564	7.2
200.08287	4.6
201.09120	11.6
213.09059	25.5
215.10657	7.1
217.04985	8.4
217.08620	9.3
219.08150	6.4
219.10031	30.5
225.09053	12.0
227.07060	4.3
229.08545	4.6
240.07884	5.9
243.10120	19.6
248.08267	4.5
255.06541	6.0
255.10124	5.9
256.07321	3.5
261.11157	9.0
263.10645	6.2
270.08984	4.4
271.09558	5.6
273.11151	61.4
279.09802	5.1
279.41449	3.3
283.09528	4.4
291.10114	15.9
311.12863	5.0
323.12509	8.5
341.13965	3.5
367.15433	8.3
371.07578	18.6
379.15424	3.9
383.14584	5.3
397.16501	75.8
415.10016	42.4
415.17383	31.0
415.23294	11.1
437.32919	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	415.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78838	4.6
57.15945	3.6
62.38111	3.5
69.33987	6.1
69.34390	34.2
70.06579	4.9
79.05486	5.6
85.02901	5.6
91.05471	11.1
95.04971	4.9
105.07050	4.9
108.41031	3.3
109.10188	3.3
117.07012	5.6
119.04950	4.9
121.06521	4.4
122.03604	5.3
123.08037	15.6
129.06953	11.1
131.08549	8.7
133.10030	4.6
137.05965	87.8
141.06972	9.2
143.08469	4.5
145.06459	4.8
151.07584	9.2
153.01807	4.9
154.07666	4.1
155.08414	4.9
157.06400	4.6
158.07213	5.3
159.08066	10.1
161.05945	16.8
161.09566	5.0
165.06984	4.8
169.06532	4.0
173.09596	4.5
174.06766	9.1
175.07539	6.5
182.07301	4.4
185.09557	16.3
187.07516	8.7
189.09076	12.0
189.12708	4.5
191.07118	6.2
197.09613	15.1
198.06752	23.5
199.07497	8.5
201.09064	5.6
211.07547	5.3
212.08311	7.2
213.09062	41.0
215.10619	7.4
219.10126	9.1
225.09106	14.6
227.20471	3.9
231.10036	6.5
243.10172	31.0
255.10266	6.0
261.11404	6.6
273.11194	100.0
289.12363	5.2
349.14288	5.0
367.15463	8.6
371.07620	9.9
379.15378	4.6
397.16486	90.6
398.17175	4.5
412.66730	3.8
415.19116	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42179	0.5
53.00305	0.5
53.03930	1.0
55.01861	1.2
55.05505	16.5
57.03427	5.2
57.07064	8.4
61.02895	0.7
65.03912	0.8
65.77439	0.5
67.05490	11.2
68.99789	0.7
69.07055	22.7
71.04964	1.3
71.08614	5.1
71.54147	1.1
79.05481	8.1
80.08149	0.5
81.07041	17.2
83.04951	1.5
83.08126	1.1
83.08603	16.0
85.06519	1.3
85.10154	2.2
85.31836	0.6
87.00811	9.6
91.05456	8.9
93.07024	10.3
95.08592	12.9
97.06509	3.8
97.10152	10.0
99.08067	0.9
103.05426	0.8
104.06239	1.0
105.01846	3.8
107.08577	6.8
109.06461	1.1
109.10133	5.6
111.08083	2.7
111.11699	3.1
115.03924	0.6
115.07550	0.9
117.06994	1.9
119.08559	100.0
120.08889	2.2
121.10114	8.9
123.11696	5.2
125.05991	0.8
125.09610	1.7
125.13248	1.2
129.09109	1.0
131.08545	0.8
133.06485	0.9
133.10085	0.5
135.11653	7.4
137.13217	2.9
139.07492	0.8
139.11137	1.8
143.03374	2.3
149.13214	4.9
153.09163	0.6
153.12718	1.4
157.12221	0.7
163.14796	2.9
171.13763	0.6
181.15804	0.6
192.09184	0.6
195.13573	0.8
217.19389	0.9
219.21017	9.6
219.24268	0.7
237.22087	30.5
238.22371	0.6
243.21097	0.7
255.23146	19.5
256.23550	0.9
277.21561	1.1
279.23166	1.4
295.22638	1.0
297.24265	0.7
311.25748	1.2
323.22171	3.1
329.26813	4.8
341.23135	4.2
359.24142	1.1
397.25900	3.5
415.03729	0.6
415.26682	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	416.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	5.0
65.03941	5.3
67.05493	5.7
67.29617	3.4
69.03423	8.5
69.79522	20.6
70.06587	4.3
81.03432	3.1
81.07058	9.0
85.02893	5.0
89.43328	2.8
91.05467	12.9
93.07050	6.3
95.04971	3.4
97.02904	3.5
103.07567	15.1
105.07005	9.8
107.04934	4.1
107.08589	16.6
109.10158	8.0
111.58704	3.5
115.05473	4.0
116.28611	2.7
116.98726	2.9
119.04929	20.5
119.08567	4.4
121.10135	12.7
123.04474	5.4
131.08540	3.8
133.10120	100.0
135.08081	11.8
137.05956	4.3
137.09601	59.3
137.25092	2.9
139.05046	3.2
142.97708	3.5
147.04405	68.6
149.13274	8.6
163.13271	5.7
167.07042	40.4
169.96022	4.4
173.05948	7.2
173.13239	8.5
181.04979	10.7
191.14305	57.9
209.15353	26.2
307.83289	3.3
338.11078	4.5
342.10431	4.8
346.53415	3.6
357.12823	4.7
372.08038	5.6
387.14410	8.6
416.16721	5.8
417.15521	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	417.1154
Annotation	Daidzin
Peak:m/z	Relative Intensity
56.96550	3.6
69.03400	1.9
70.06577	2.2
71.54533	1.4
71.54910	1.3
72.08163	1.2
76.48740	1.2
80.98400	1.1
85.02888	1.9
102.79016	1.1
103.05381	1.3
109.10052	1.2
119.08581	1.4
120.08070	1.5
137.09569	1.3
155.02620	1.1
155.03757	7.6
167.07028	3.6
173.04829	13.1
254.20921	1.6
255.06265	83.4
273.04120	3.1
273.06604	9.4
291.07498	5.1
417.11523	100.0
418.12131	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	417.1539
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03927	0.7
55.01860	0.8
55.05481	0.9
65.03921	1.9
67.05480	2.0
67.67957	0.4
68.99765	0.5
69.03419	0.8
69.07059	0.6
69.82343	2.3
77.67825	0.3
77.79765	0.3
78.04700	2.9
79.05480	2.9
81.03414	0.4
81.07040	1.9
82.04169	1.1
83.04935	0.5
85.02897	2.3
91.05451	1.5
92.40316	0.3
93.03408	0.4
93.07008	0.6
95.04939	2.0
95.08568	1.1
97.06535	0.7
99.04440	0.3
100.11227	0.7
103.05441	2.9
105.03400	0.6
105.06995	0.9
106.04156	1.3
107.04939	4.1
107.08590	0.8
108.02149	0.4
109.06555	0.4
109.10114	0.7
110.03631	1.0
111.04414	0.6
115.05438	2.8
117.07001	5.5
118.04134	0.7
119.08569	0.8
121.06500	0.3
121.10188	0.6
122.03682	0.5
123.02981	0.3
123.04408	7.6
123.08100	0.4
123.11649	0.4
124.05170	3.6
125.05950	1.2
127.05389	0.6
130.04156	0.4
131.04893	1.5
131.08511	0.4
132.05692	0.3
133.06494	0.5
134.03522	0.4
135.11676	0.4
137.05957	1.0
138.03082	0.6
142.02553	0.8
145.06447	8.0
145.10168	0.3
147.07994	0.9
148.05177	1.0
149.05959	0.6
149.09590	0.5
151.03873	1.2
151.07491	0.7
152.04672	2.7
155.06001	2.3
161.05937	0.4
163.07561	1.8
165.05507	0.3
167.07014	100.0
168.07285	1.9
171.06538	1.7
171.11624	0.4
173.05962	15.5
174.06671	0.5
175.07520	0.6
177.09174	0.4
181.04932	31.8
182.05331	0.5
189.09113	0.5
191.06995	6.3
191.10629	0.5
199.02524	0.4
201.05450	0.8
205.08546	3.8
210.14822	0.4
217.08617	0.6
233.08029	6.7
235.09656	3.7
245.08038	0.4
292.07211	0.4
309.11136	0.4
323.09012	0.4
329.10309	1.3
370.77045	0.3
371.39569	0.4
381.13397	0.5
387.14346	14.0
388.14548	0.6
399.14432	1.0
417.15372	27.0
418.15723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.96093	0.4
53.03927	1.0
55.01849	0.7
55.05502	0.8
65.03910	1.2
67.05495	1.1
69.03407	1.1
69.07057	0.7
70.95917	0.4
71.53348	0.4
75.60194	0.4
78.04698	3.1
79.05493	1.9
81.03397	0.7
81.07021	1.6
82.02946	0.3
82.04168	0.6
83.04948	0.4
85.02888	1.3
86.09667	0.8
91.05452	1.9
93.03352	0.5
93.07013	0.9
95.04942	1.1
95.08566	0.6
97.02901	0.7
97.06539	0.9
103.05433	1.4
105.06999	1.1
106.04159	1.6
107.04942	2.2
107.08553	1.3
109.02867	0.5
109.06493	0.5
109.10172	0.6
110.03666	0.7
111.04442	0.9
115.05435	3.6
117.07000	5.5
119.04935	0.5
119.08572	0.9
121.10106	0.8
123.03562	0.5
123.04425	8.1
124.05196	2.6
125.05958	0.6
127.03843	0.4
127.05427	1.1
129.06955	0.3
133.10162	0.6
135.07961	0.4
135.11705	0.6
137.05962	1.1
137.09534	0.4
138.03015	0.5
139.03876	0.7
140.41075	0.4
142.02585	0.6
144.05739	0.5
145.06465	9.0
145.10146	0.4
146.06776	0.5
147.04402	1.6
147.08008	0.8
147.11687	0.4
148.04764	0.5
151.03886	1.6
151.07430	0.4
152.04659	2.3
153.05487	0.4
155.06030	3.1
163.11215	0.6
165.09116	1.5
167.07022	100.0
168.07407	2.1
171.06479	1.1
173.05969	15.2
175.07451	0.9
179.10670	0.4
181.04936	18.6
182.05318	0.4
183.18909	0.4
191.07025	1.0
192.88153	0.4
195.06445	0.5
201.05479	0.8
205.08588	3.5
207.10153	0.5
219.17551	0.4
233.08064	7.1
235.09596	3.9
241.12679	0.9
279.37488	0.4
387.14346	14.3
388.14673	0.6
417.15430	25.9
418.15594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.9
57.03417	8.7
57.07053	9.0
65.03926	2.2
66.84229	2.2
67.05498	56.2
69.07069	16.7
70.10628	4.4
70.11040	9.4
71.04989	2.8
74.92508	2.2
79.05481	15.4
81.03407	2.8
81.07047	76.5
83.04991	2.8
83.08596	13.3
91.05473	14.2
93.07029	27.5
95.04946	3.5
95.08595	57.1
97.06522	6.6
97.10148	6.6
98.98457	94.6
99.08071	3.2
105.06994	12.7
107.08605	17.6
109.06501	2.4
109.10146	36.6
111.08067	4.1
111.11676	2.2
119.08571	12.3
121.10137	12.2
123.08115	2.9
123.11703	14.8
125.09630	3.3
131.08556	3.9
133.10143	11.6
135.11655	11.8
137.09552	4.1
137.13211	6.1
147.11670	7.4
149.13223	7.5
151.14781	6.6
155.01022	100.0
161.13199	9.6
163.14815	4.5
165.16377	8.5
175.14735	5.8
183.11714	4.6
189.16431	3.9
207.11786	2.3
209.13148	2.7
235.14673	3.2
245.22627	24.7
263.23679	60.4
264.23950	4.1
417.27356	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	417.2783
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03944	0.5
54.72949	0.3
54.73251	0.3
55.05498	4.3
57.03401	0.4
57.07062	0.6
64.01943	0.4
65.03926	0.6
67.05151	0.5
67.05494	5.9
67.90347	0.3
69.03411	0.6
69.07064	1.9
70.20612	0.8
70.21018	1.1
71.04987	0.5
79.05481	4.2
81.07047	8.1
83.04971	6.2
83.08597	0.8
91.05468	6.2
93.07035	10.7
95.04964	2.3
95.08597	16.0
96.61678	0.3
97.02905	0.3
97.06509	1.5
99.04426	0.6
103.05436	0.5
105.07013	10.3
106.62145	0.4
107.08585	10.4
109.02895	0.4
109.06519	1.9
109.10158	4.0
111.04436	3.3
111.08064	2.6
113.05979	1.1
115.05430	1.4
116.06190	0.4
117.07003	2.6
119.08559	9.3
121.06501	1.1
121.10129	4.8
123.08076	1.7
123.11681	1.5
125.05965	0.5
127.07523	0.3
128.06219	2.0
129.06984	3.2
130.07732	1.1
131.08560	5.0
132.09340	0.4
133.10118	10.2
134.10913	0.5
135.08043	0.7
135.11682	3.8
137.05919	0.9
139.07523	1.9
139.11133	0.4
141.06970	2.9
141.09056	1.0
142.07762	5.6
143.08540	9.6
144.09277	1.1
145.06429	0.4
145.10100	8.2
147.08006	0.7
147.11702	3.4
149.09569	0.6
149.13193	0.9
152.06177	0.3
153.07002	2.1
153.12737	0.4
154.07736	1.2
155.08528	6.7
156.09328	4.9
157.10109	16.7
158.10786	0.9
159.08070	0.6
159.11674	9.1
160.08820	0.5
160.12277	0.4
161.09564	1.0
161.13193	2.2
163.11182	0.5
165.06955	3.0
166.07776	1.2
167.08545	5.0
168.09317	2.2
169.10107	10.8
170.10909	2.2
171.11667	19.4
172.12277	0.8
173.09621	0.8
173.13229	5.9
174.14008	1.1
175.11159	0.5
175.14833	1.5
178.07774	0.7
179.08514	4.6
179.10634	0.5
180.09283	3.3
181.10103	6.1
182.10892	5.7
183.11673	15.0
184.12268	0.9
185.09602	0.7
185.13240	7.3
186.10315	0.3
187.11171	1.0
187.14807	1.7
189.12712	0.7
190.07761	0.4
191.08519	1.5
192.09344	2.9
193.10092	8.0
194.10875	2.3
195.11671	15.4
196.12390	2.1
197.13231	24.3
198.13789	1.2
199.11230	0.8
199.14801	4.1
201.12723	1.0
201.16367	0.6
203.08488	0.5
205.10091	4.0
206.10869	6.6
207.11678	10.9
207.13660	0.6
208.12404	4.2
209.13228	10.4
210.13986	1.4
211.14781	4.6
213.12729	0.8
215.14130	0.8
217.10127	1.1
217.12320	0.9
218.10907	1.2
219.11690	4.9
219.13687	0.8
220.12433	3.8
221.13222	18.9
222.13902	3.8
223.14783	13.2
224.15419	0.9
225.16359	1.4
226.45554	0.4
227.14122	0.5
227.17967	1.0
229.15900	0.5
231.11656	1.4
231.13768	0.6
232.12369	1.7
233.13217	5.9
233.15329	1.1
234.13962	3.8
235.11247	0.5
235.14789	11.1
236.15434	2.0
237.16385	8.9
238.16998	1.1
239.17989	0.8
244.12491	0.4
245.13242	1.3
246.13988	1.6
247.11047	0.4
247.14767	7.3
247.16913	0.8
248.15530	3.4
249.16342	8.4
250.17107	1.2
251.17950	3.0
255.17491	1.0
259.14673	1.6
260.15573	0.8
261.16342	5.8
262.17139	4.7
263.17920	7.4
264.18884	0.4
273.16666	0.6
273.18631	4.4
274.17001	0.6
275.17923	4.6
276.18716	3.1
277.19464	28.1
278.20108	3.0
279.20938	2.2
287.17981	1.4
288.18716	0.6
289.19397	2.4
291.21100	1.0
295.16943	0.8
301.19382	0.8
303.21011	5.7
305.15137	0.4
305.22635	0.9
309.18521	0.5
315.21011	0.8
317.22565	2.4
318.23355	5.6
319.23880	1.0
335.20135	0.5
347.19876	1.0
361.21634	1.1
371.27335	1.2
375.23169	1.0
381.26443	0.4
384.90601	0.4
389.24707	0.6
399.26816	1.5
402.25470	0.6
417.27838	100.0
418.28143	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	418.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
57.03421	0.8
62.51457	0.2
69.03419	1.9
69.67159	1.6
70.06586	0.6
70.17300	0.2
79.05470	2.1
85.02890	1.5
87.04463	1.5
91.05457	0.7
93.03345	0.2
95.04953	0.5
97.02879	1.2
97.19627	0.3
106.06543	100.0
107.06904	0.9
108.08086	0.6
111.52287	0.3
115.03899	0.9
118.06530	4.0
120.08080	0.5
124.07566	0.9
130.06525	1.0
133.04948	1.0
134.05994	0.5
139.03867	0.3
148.07539	2.1
183.42630	0.3
204.60609	0.2
238.10710	4.3
250.10704	0.4
256.11789	0.5
268.11841	0.7
286.12915	0.5
411.16794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.34648	0.3
57.03406	0.8
58.61745	0.3
61.02903	1.2
67.05515	0.4
67.06451	0.3
68.99783	0.5
69.03403	0.4
70.71648	0.6
71.04951	0.5
73.02910	12.4
81.07023	0.4
83.29285	0.3
85.02892	0.5
89.03899	0.3
91.05467	0.7
93.07042	0.4
95.04951	0.4
95.08603	0.4
96.87611	0.3
97.02875	0.5
105.03370	0.7
105.07024	0.5
107.04897	1.7
107.08593	0.6
111.00806	0.7
113.71951	0.3
115.03896	0.8
119.08555	0.6
121.02849	2.6
121.10129	0.4
123.04409	0.6
131.08528	0.3
133.02791	0.5
135.04347	0.6
137.02342	0.8
137.05933	0.4
145.06407	0.3
147.04391	0.7
151.03925	0.4
153.01799	4.7
157.06523	0.5
161.05911	0.3
163.03860	1.9
165.01845	1.7
167.07054	1.0
175.25488	0.4
177.05516	0.4
177.45851	0.3
181.04951	0.3
183.02831	0.9
183.06548	0.6
185.06035	0.6
213.05380	1.5
216.40169	0.3
219.10077	0.3
222.81140	0.3
231.06418	0.4
241.04765	0.7
258.05209	1.0
259.05984	0.6
287.05466	100.0
288.05807	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	419.0968
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01865	0.4
55.95050	0.5
57.03423	0.7
58.78949	0.4
61.02903	1.7
67.01873	0.4
68.99782	0.7
69.03411	0.6
69.99109	2.5
73.02912	12.4
79.05476	0.7
81.07051	0.7
85.02887	0.5
91.05467	0.8
107.04958	2.9
115.03914	0.9
121.02847	2.6
132.90436	0.4
133.02783	0.5
137.02264	0.5
147.04405	0.9
153.01813	4.4
165.01801	1.8
167.07053	0.8
171.04411	0.5
177.09059	0.7
183.02913	0.8
183.06406	0.6
185.06010	0.5
213.05470	1.4
241.04988	0.7
258.05243	1.1
277.97610	0.5
287.05469	100.0
288.05804	3.2
328.90735	0.5
353.10223	0.5
419.13727	0.6
419.28629	0.5
429.11783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.4
61.02909	1.9
62.04512	0.6
67.05486	0.8
68.99796	0.7
69.03432	0.7
70.93835	1.4
70.94183	1.1
73.02908	13.2
75.88770	0.7
85.02878	1.2
95.04974	0.8
103.76241	0.6
107.04939	1.1
109.05114	0.6
115.03893	0.8
121.02853	2.9
123.04422	0.8
137.02345	0.9
137.05925	1.4
145.06422	0.8
147.04379	2.1
151.03896	0.9
153.01836	5.2
165.01830	1.9
167.07033	2.1
181.04962	2.5
182.18112	0.8
183.02794	0.8
183.14941	0.7
185.06009	0.8
213.05313	1.6
233.04448	0.6
241.04956	0.7
249.11049	0.8
253.08487	0.7
287.05453	100.0
288.05881	2.0
401.15817	0.7
419.13202	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	419.1331
Annotation	Agecorynin  B
Peak:m/z	Relative Intensity
53.03927	3.1
55.01855	4.6
55.21060	1.1
57.03421	1.1
57.63306	0.9
65.03928	10.1
67.05507	5.4
69.07046	2.0
69.94006	3.4
69.94418	2.1
70.00202	1.0
72.32210	1.0
77.03958	0.9
77.07442	1.1
78.04706	1.1
79.05492	5.1
81.03403	2.1
81.07037	4.2
82.04176	3.9
83.01329	1.3
85.02900	6.4
89.03893	2.8
91.05473	15.4
93.03398	4.1
93.07032	3.2
95.04957	12.9
95.08575	1.6
97.02885	1.4
97.06508	2.5
98.21346	1.2
103.05452	5.6
105.07018	4.4
107.04939	7.1
107.08570	1.2
108.02066	2.8
109.06508	2.2
109.10139	1.2
110.03688	5.9
111.00765	0.9
111.04449	7.3
113.02333	1.9
115.05416	2.1
117.03350	4.0
119.04927	15.4
119.08533	1.1
121.06469	1.4
121.10183	1.0
122.03607	2.9
123.04430	10.7
124.05246	2.7
125.02320	2.4
125.05981	8.7
126.98955	1.2
129.03346	1.2
131.04918	7.0
133.02840	2.8
133.06450	4.1
135.04367	5.7
136.05182	1.5
137.05960	28.3
138.03107	2.6
139.03879	2.5
140.04669	32.1
142.02565	3.4
145.02838	13.7
146.03537	1.6
147.04391	53.7
149.05978	5.1
151.03897	27.1
151.05026	2.2
151.07535	3.4
152.04633	1.8
153.05457	6.9
154.06213	5.9
155.07016	24.1
159.04427	4.0
161.02361	1.2
161.05971	8.3
163.03947	6.1
163.07480	3.6
165.05357	2.2
166.22011	1.2
167.07027	21.7
171.06551	5.5
173.08063	2.1
175.03947	5.6
175.07585	1.2
176.04547	1.9
177.05458	25.2
178.06119	1.3
179.03372	1.8
179.07034	4.8
181.04938	100.0
182.05553	5.1
183.06546	6.1
187.03853	2.1
189.05453	7.5
190.06070	1.2
191.06995	5.3
192.04147	1.5
193.04955	3.5
193.08624	5.3
195.06506	2.1
197.08040	1.6
205.04819	2.3
206.05762	1.3
207.06523	17.8
217.04919	1.6
219.06548	6.1
221.08081	5.1
222.05203	1.8
223.05962	2.8
225.05470	1.1
225.07487	1.8
235.06064	2.5
237.07416	5.6
249.07500	6.9
265.07092	4.1
267.08594	19.9
269.08047	1.1
287.05588	1.5
287.44501	1.0
289.10651	13.3
295.09677	1.4
313.10611	1.4
419.13293	87.9
420.13626	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	419.1331
Annotation	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone
Peak:m/z	Relative Intensity
53.03936	1.6
55.01855	3.1
57.03402	1.2
65.03931	9.9
67.05498	4.5
69.03416	3.4
69.07053	1.1
69.41054	7.5
77.56167	0.9
77.97652	0.8
79.05485	3.2
81.03420	1.0
81.07045	2.2
82.04177	2.0
83.04946	0.8
84.00733	0.8
85.02892	6.1
89.03887	2.6
91.05479	9.6
93.03397	3.5
93.07027	1.7
94.04160	1.1
95.04959	7.0
95.08591	1.9
97.02849	1.1
97.06496	3.3
98.21430	1.9
103.05444	3.0
105.03346	1.1
105.07024	4.8
107.04948	6.7
107.08555	0.9
107.29896	0.8
108.02084	2.8
109.06533	1.6
109.10088	0.8
110.03644	4.8
111.00799	1.4
111.04445	6.6
113.02367	1.4
115.05418	2.6
117.03357	6.5
119.04915	12.3
121.02886	1.0
122.03641	2.2
123.00768	1.0
123.04414	6.5
123.08001	1.0
124.05185	1.0
125.02327	1.8
125.05942	8.4
127.03005	1.1
127.03870	1.1
129.03412	1.1
131.04892	6.3
133.02818	2.1
133.06479	4.1
135.04379	1.9
137.05954	21.3
138.03108	1.9
139.03870	1.8
140.04662	31.8
140.05719	1.9
142.02583	2.2
145.02827	13.8
146.03625	1.1
147.04388	34.3
148.04684	1.1
149.02425	0.9
149.05959	3.5
151.03873	22.0
151.04965	1.9
152.04539	1.4
153.01839	1.5
153.05455	5.1
154.06223	5.9
155.07010	21.3
157.02853	1.5
159.04422	1.5
160.05232	1.4
161.05969	9.3
163.03857	1.8
163.07555	2.4
165.05450	0.9
167.07013	12.5
171.06554	6.1
173.08122	2.5
175.03854	2.4
177.05443	23.9
177.09100	2.7
179.03415	1.3
179.06990	3.0
181.04929	93.6
182.05588	3.9
183.06500	1.5
188.04587	1.1
189.05437	4.8
191.07007	3.4
193.04936	2.7
193.08528	5.1
195.06523	1.1
197.08252	0.9
202.54323	0.9
205.05000	1.2
206.05707	1.3
207.06479	6.4
214.99260	1.0
217.04880	1.8
219.06436	2.9
221.08043	4.8
222.05176	1.9
223.05885	1.3
235.05963	1.6
237.07465	7.4
239.11752	0.9
249.07663	5.2
250.16664	0.8
251.07031	1.0
257.12708	1.1
265.07108	3.7
267.08597	21.3
267.11404	1.8
287.05444	16.0
288.05716	1.5
289.10709	12.5
303.13333	1.0
313.11792	3.3
359.12173	1.8
371.11038	1.2
387.11890	1.9
419.13321	100.0
420.13568	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.9
64.02484	0.8
69.62545	5.7
73.78267	0.8
85.90574	0.8
95.04947	1.0
98.21432	0.9
109.02905	1.1
111.04413	1.4
116.82575	1.0
127.02148	1.3
129.05559	0.8
135.04378	1.2
137.02342	1.3
139.03938	1.6
149.02318	1.3
163.03902	3.5
164.04381	0.8
167.49316	1.0
170.06331	2.7
183.06273	1.2
239.08867	1.8
257.09937	100.0
258.10254	2.8
273.08994	4.1
275.09879	1.5
292.29831	0.8
345.10315	1.1
369.36694	0.8
405.88422	0.9
419.15195	49.1
420.15594	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	419.2634
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01872	15.8
55.05500	15.9
56.29837	10.7
67.05497	30.6
69.07064	16.0
70.59674	22.7
70.60040	27.6
71.04972	13.3
79.05479	31.7
81.07040	86.5
83.04937	11.9
83.08598	13.1
84.96019	10.9
85.02906	15.5
89.78813	14.0
91.05477	24.7
93.07051	55.1
93.07581	12.6
95.04948	24.5
95.08560	53.6
105.07033	43.5
106.12950	11.5
107.04981	14.1
107.08582	59.4
109.10155	41.7
111.08063	13.9
117.06947	13.3
119.04958	14.5
119.08548	37.1
121.10104	19.6
123.11658	12.3
127.11144	15.7
133.10094	42.5
135.11687	100.0
143.10652	15.0
145.10089	17.5
147.04398	47.4
147.11673	19.7
151.03995	13.2
161.13216	20.6
163.07625	10.7
163.68619	10.6
165.09035	20.1
167.07016	13.2
177.05472	22.7
181.04909	44.2
203.17981	47.5
205.08630	11.9
209.08037	15.0
221.18994	38.4
281.04459	14.2
419.13077	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	419.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.7
58.06659	1.5
63.67371	2.0
63.82461	2.0
65.03922	1.7
67.05489	17.1
69.07053	5.0
71.57564	3.0
79.05481	6.4
81.07051	18.8
83.04964	6.1
83.08601	4.4
91.05461	7.7
93.07036	21.5
95.04928	2.3
95.08594	42.8
97.06513	2.0
97.10152	2.7
105.07008	9.3
107.08577	16.8
109.06508	5.3
109.10144	18.0
111.04384	2.5
111.08059	6.3
117.06989	2.5
119.08562	10.5
121.10168	11.8
123.08054	4.2
123.11700	5.2
125.09613	1.7
128.06210	4.9
129.07028	9.0
131.08534	10.0
133.10097	8.9
135.11676	7.4
139.07489	4.4
141.06946	7.9
141.09123	2.6
142.07753	26.8
143.08548	13.9
145.10104	9.7
147.11670	4.7
149.13263	4.4
153.06992	2.5
154.07703	2.4
155.08560	18.2
156.09343	9.2
157.10123	75.8
158.10570	2.3
159.11693	10.7
161.09648	2.2
161.13208	2.2
163.14925	2.3
165.06915	2.5
166.07747	3.3
167.08534	12.4
168.09341	5.8
169.10124	14.2
170.10904	9.7
171.11658	17.6
173.13211	6.6
179.08505	8.7
180.09323	4.3
181.10100	12.5
182.10951	15.0
183.11673	33.2
184.12019	3.3
185.13258	41.4
187.14861	11.3
193.10101	6.0
194.10957	8.9
195.11682	14.2
196.12471	4.1
197.13240	99.7
198.13651	3.0
199.14819	7.0
207.11668	6.2
208.12451	5.5
209.13246	34.9
210.13808	3.1
211.14809	21.5
213.16418	4.0
221.13225	4.9
222.13870	4.0
223.14796	31.6
225.16321	6.0
235.14819	7.4
236.15457	1.8
237.16385	21.1
239.18001	3.6
239.88690	1.8
249.16208	2.5
249.18520	3.9
251.17953	11.8
263.17801	3.5
265.19513	6.7
277.19455	2.1
279.20953	12.7
320.25067	2.1
349.21667	2.5
373.28873	3.8
401.28275	3.2
419.29364	100.0
420.29675	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	419.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03936	0.9
55.05509	5.8
57.03407	0.6
57.07058	0.8
65.03916	0.9
67.05172	0.9
67.05498	10.6
68.17332	0.5
69.03412	1.0
69.07059	4.7
69.28291	0.8
69.28693	3.8
71.04981	0.8
77.03898	0.5
79.05125	0.5
79.05481	5.2
81.07041	11.0
83.04972	8.4
83.08600	2.6
91.05466	6.9
93.07034	17.0
94.07388	0.5
95.04956	3.4
95.08595	34.4
97.06517	2.0
97.10126	1.1
98.20699	0.8
99.04387	1.1
105.07014	9.5
105.37968	0.4
107.08578	14.9
109.06518	2.7
109.09450	0.9
109.10146	11.7
111.04427	6.0
111.08062	5.1
113.05971	1.5
115.05418	1.5
117.07009	3.1
119.07780	0.9
119.08567	10.8
121.06469	2.1
121.10128	12.0
123.08044	4.1
123.11697	5.2
125.09618	1.1
127.07512	0.9
128.06187	4.9
129.06999	7.0
131.08543	7.3
133.10110	9.8
134.10796	0.9
135.08047	1.0
135.11682	5.7
137.05898	0.6
137.09592	1.4
137.13188	1.3
139.07523	3.0
141.06969	6.0
141.09081	1.5
142.07761	19.8
143.08560	12.3
144.09337	2.4
145.06538	0.7
145.10109	8.6
147.08029	1.4
147.11656	4.0
149.09573	1.0
149.13223	2.2
151.11125	0.5
153.06967	2.7
153.09117	0.5
154.07733	1.7
155.08533	11.8
155.10551	0.6
156.09335	6.4
157.10109	59.6
158.10619	2.1
159.08061	0.8
159.11673	12.7
160.12167	0.9
161.09575	2.8
161.13245	2.8
163.11159	0.7
163.14806	1.2
165.06967	3.7
166.07748	1.6
167.08537	8.2
168.09363	5.1
169.10101	11.1
170.10898	7.0
171.08035	20.9
171.11668	12.1
172.08643	1.0
172.12392	1.6
173.09637	1.2
173.13239	8.0
175.11154	1.3
175.14832	2.4
177.16408	0.7
179.08565	4.3
179.10677	0.9
180.09352	3.1
181.10114	8.6
181.56830	0.5
182.10892	9.8
183.09998	0.9
183.11671	28.3
184.12054	3.2
185.09645	9.7
185.13242	38.9
186.10255	1.1
186.13736	2.5
187.11179	4.1
187.14810	14.6
189.12688	0.6
191.14330	1.1
192.09251	0.6
193.10114	5.8
194.10869	6.4
195.11679	12.5
196.12396	2.8
197.09647	2.5
197.13234	69.1
198.13568	2.4
199.11183	0.6
199.14784	7.6
199.47261	0.4
201.12692	1.3
201.16441	1.6
203.14323	0.9
205.10197	0.7
206.10936	0.8
207.11694	5.1
207.13571	0.9
208.12463	4.0
209.13223	25.1
210.13895	1.8
211.11165	1.7
211.14787	11.4
211.16718	0.8
212.15144	0.6
213.12733	0.8
213.16241	2.8
215.14282	1.8
217.15781	0.6
221.13264	4.1
221.15207	0.7
222.13982	2.2
223.11305	0.8
223.14778	21.9
224.15375	1.5
225.12834	0.6
225.16359	3.6
227.17976	0.8
231.11678	0.6
233.13216	0.7
233.15520	0.7
235.14751	3.7
236.15489	1.2
237.12767	0.6
237.16364	11.1
238.16856	0.6
239.17860	3.0
247.14684	0.9
248.15581	0.6
249.16348	3.4
249.18564	1.3
250.17101	1.5
251.17906	6.2
252.18387	0.7
253.19510	0.9
261.16351	2.4
263.17883	3.3
264.18539	1.4
265.19446	6.1
275.17883	1.3
277.16113	0.9
277.19559	2.5
278.20218	2.1
279.17657	1.3
279.21014	10.9
280.21545	0.9
281.22659	1.6
289.19394	0.9
291.21130	1.4
303.20975	0.5
305.18863	1.6
305.22552	1.6
307.24091	0.7
316.30142	0.5
317.22562	0.7
319.24152	1.4
320.24921	2.0
345.25809	0.8
363.23105	1.7
373.28836	2.1
377.24704	1.0
401.23907	1.0
401.29001	2.5
419.29388	100.0
420.29767	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	419.3515
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.19604	1.6
53.03932	2.1
54.14855	1.5
55.01864	2.5
55.05494	7.8
57.03425	1.8
57.07067	4.5
67.05493	16.0
69.07068	8.6
69.23084	18.5
71.04949	2.1
71.08630	3.1
79.05470	3.6
81.07045	18.0
83.08608	4.3
85.06564	1.9
90.39344	1.7
91.05464	7.2
93.07032	37.7
95.04948	2.4
95.08602	29.9
107.08588	6.1
109.10157	10.1
111.08073	21.1
111.11692	1.8
119.08561	2.8
121.06478	2.4
123.11672	3.1
127.07571	5.0
131.08597	2.7
135.08083	1.9
139.07515	17.8
141.45370	1.7
145.10155	2.5
153.09117	10.4
157.08621	3.5
159.11717	2.7
165.69844	1.6
167.10683	6.9
173.13258	2.0
181.12358	2.5
195.13832	4.2
199.14854	1.8
199.69449	1.5
201.16338	3.1
209.15460	3.7
251.20166	2.2
401.34213	4.9
419.35175	100.0
420.35455	5.3
442.61346	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	419.3515
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03923	1.7
55.01846	1.4
55.05504	12.6
57.07085	7.8
57.07317	2.1
58.90679	1.2
67.05503	7.5
69.07066	24.5
71.04960	1.4
71.08614	4.8
71.53799	1.8
79.05479	7.7
81.07059	9.4
83.04977	4.7
83.08611	12.4
85.10167	2.8
89.59262	1.3
91.05464	9.9
93.07027	13.0
95.04933	2.6
95.08603	13.9
97.10167	6.4
97.55585	1.2
105.07052	3.8
107.08552	3.0
107.14629	1.7
109.06500	23.2
109.10146	4.0
111.08091	6.2
111.11698	3.3
121.14202	1.2
123.08088	1.7
123.11718	2.5
125.05978	5.4
125.13280	1.7
127.07578	1.5
133.10094	1.6
135.08070	1.7
135.11655	1.5
137.05962	92.1
137.13177	1.3
138.06221	1.7
139.07545	4.8
142.60944	1.4
149.09537	1.3
151.07521	18.3
153.09125	2.8
155.07034	8.5
165.09091	8.7
167.10666	2.9
178.08694	1.7
179.10664	9.1
193.12244	7.6
205.12209	3.9
207.13730	2.7
210.55383	1.5
221.15315	3.3
249.18573	1.9
263.20032	5.4
275.20099	2.0
277.21613	2.7
281.28384	4.1
319.26288	2.3
383.33356	1.4
401.34122	100.0
402.34409	6.0
419.22272	4.1
419.35147	93.2
420.35458	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	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.6
57.03438	6.8
61.02906	3.6
65.03910	1.7
67.80554	0.9
69.03071	1.3
69.03420	13.7
69.03765	1.8
70.91354	3.0
71.01347	1.5
73.02915	10.1
75.23422	0.9
77.43610	1.0
83.52163	1.0
85.02896	28.2
87.04428	1.2
91.05468	100.0
92.05761	1.4
97.02878	30.3
103.03943	1.7
105.06995	1.9
109.02854	2.2
109.03584	1.0
115.03910	11.2
117.06990	1.8
127.03905	8.0
127.51283	1.1
129.06897	1.3
131.08508	1.4
132.06566	1.6
133.04942	12.1
133.06470	1.5
145.04936	12.1
145.06084	1.5
145.06448	1.4
146.06082	1.1
150.07578	1.7
157.06430	1.4
161.04427	1.8
161.62482	1.3
163.06006	4.3
171.08119	1.1
217.08612	2.4
235.09758	1.2
253.10590	2.2
259.07959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.4
59.04986	4.5
69.03426	66.2
71.36510	2.4
71.36855	3.1
73.02901	3.9
74.90668	1.8
75.04453	3.5
79.05469	4.4
81.03416	3.0
85.02402	3.9
85.02900	53.1
87.04462	42.5
87.04995	2.2
91.05476	100.0
97.02257	3.4
97.02889	58.6
99.04453	2.7
105.07000	3.9
107.04962	9.7
115.03922	75.0
117.05480	3.9
117.07000	2.0
118.16944	1.8
121.06477	3.5
127.03888	6.5
127.29188	2.0
129.06995	2.1
133.03964	4.2
133.04958	80.7
133.06514	6.2
145.04912	11.3
145.06465	1.8
150.07611	10.3
161.04416	2.2
163.05984	4.7
175.07573	2.6
179.10692	3.4
187.05928	2.1
197.67131	1.8
205.08592	3.7
217.08681	2.6
223.09662	9.2
241.07074	3.1
259.08075	3.9
277.08954	3.2
295.10272	3.5
311.27472	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	420.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49021	0.8
56.15920	0.7
57.07066	7.8
58.06583	1.8
63.10016	0.7
67.05487	3.0
68.05830	0.9
69.07057	1.0
69.30541	0.7
70.05832	1.7
70.06245	1.7
70.06585	15.5
70.38042	0.8
71.08617	3.4
73.92829	0.7
79.05483	1.5
80.48394	0.7
81.07060	1.6
88.07614	20.2
89.67136	0.9
91.05478	8.5
93.07032	1.8
95.04919	1.3
95.08604	1.6
102.09168	15.6
106.15445	0.8
119.04951	3.0
119.08547	1.6
131.08665	1.0
131.96733	1.0
137.05977	1.0
145.10162	1.7
147.04398	83.4
147.05341	3.4
148.04744	1.8
154.76436	0.8
175.03889	1.3
191.07002	95.0
192.07365	2.8
220.56538	0.9
256.26324	53.3
257.26718	1.8
329.21201	0.9
403.24680	0.9
420.31064	100.0
421.26013	2.3
421.31485	9.0
424.86115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2581
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.12731	2.0
52.34195	1.9
55.01862	7.4
55.05509	23.7
57.03425	9.6
57.07065	2.1
57.78432	1.9
58.94706	2.0
65.03926	2.2
67.05500	44.0
69.03425	4.7
69.07050	11.0
71.04991	4.8
71.57727	2.4
73.34757	2.0
79.05489	38.7
81.03419	6.4
81.07051	38.0
83.04987	6.2
83.08625	10.1
85.06525	4.2
89.06012	3.0
91.05472	42.9
93.07033	34.5
95.04958	63.9
95.08601	29.0
96.05270	3.0
97.06530	6.7
97.10164	16.2
105.07019	21.5
107.04958	22.1
107.08559	21.2
109.06522	8.8
109.10136	11.7
111.08114	2.0
117.06998	18.2
119.04942	2.6
119.08575	21.8
121.06495	24.4
121.10113	11.2
123.08054	9.3
123.11749	2.7
123.94578	2.1
125.09639	11.8
126.88198	2.3
128.06221	4.6
129.07004	16.1
131.08553	17.9
133.06502	8.0
133.08607	2.5
133.10109	10.4
135.08040	11.5
135.11769	4.4
137.09624	6.8
139.11162	2.2
141.06975	4.8
141.49094	2.2
142.07838	3.2
143.08572	12.6
145.06477	5.2
145.10065	12.9
147.08057	9.5
147.11702	7.1
149.09615	5.5
153.09160	4.0
155.08519	4.1
157.06532	3.4
157.10074	11.7
159.08037	4.3
159.11681	11.9
161.09627	7.1
161.13199	3.3
163.11121	11.5
167.08539	5.1
169.10072	5.9
171.11705	6.9
173.09633	3.9
173.13235	3.6
175.11195	8.7
177.12683	4.4
181.09943	4.1
183.11681	8.4
185.09576	5.4
185.13240	4.1
187.11194	4.7
187.14702	2.3
189.09067	8.4
189.11212	7.6
189.12808	3.4
193.12320	2.3
199.11156	6.4
203.10646	12.4
203.12744	6.1
205.12236	8.3
217.12334	2.9
223.13181	3.6
231.13924	2.5
233.15410	2.6
237.14885	3.0
245.15428	3.1
249.14838	10.8
263.16232	3.0
301.21561	7.4
311.20007	20.9
329.21097	100.0
330.21384	5.2
347.22131	12.9
367.22604	4.4
385.23712	6.5
403.24771	50.0
421.25766	62.5
421.30978	4.1
422.25958	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2581
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03930	6.2
53.82151	1.9
55.01857	7.4
55.05508	26.5
56.96585	1.8
57.03434	10.7
61.02921	3.4
65.03930	3.6
67.05499	70.9
69.03422	8.1
69.07062	19.0
69.81940	5.8
69.82330	4.0
71.04994	3.5
73.02900	3.9
79.05485	48.4
79.94233	1.7
81.03413	21.4
81.07053	44.5
83.04965	7.4
83.08608	16.2
85.02893	6.4
85.06538	5.9
91.03913	2.9
91.05471	49.0
93.07037	40.2
95.04964	63.8
95.08600	28.8
95.09159	3.3
97.02882	4.5
97.06530	4.6
97.10158	13.0
103.05430	2.5
105.07025	29.4
107.04936	23.6
107.08593	16.3
109.02908	2.2
109.06510	7.0
109.10146	31.5
111.08067	4.9
113.80349	1.8
114.81861	1.7
115.05425	4.1
116.67853	1.8
117.07008	17.4
119.04958	2.1
119.08572	27.8
121.06488	26.1
121.10133	9.3
123.08034	10.1
123.11703	2.0
125.09631	11.4
128.06178	4.4
129.06985	17.4
131.04938	2.0
131.08566	21.6
133.06476	7.0
133.10091	11.6
135.08046	13.7
135.11682	5.4
137.09633	8.9
139.11189	3.9
141.06963	4.3
142.07726	2.6
143.08546	11.0
145.06502	5.3
145.10144	18.5
147.08009	10.0
147.11685	6.3
149.09618	8.4
149.13202	3.0
153.06873	2.0
155.08534	5.5
155.10588	3.2
157.06442	3.2
157.10095	11.5
159.08040	4.7
159.11671	9.6
161.09627	8.4
163.11176	11.9
165.09024	2.2
167.07167	3.1
167.08575	4.6
169.10153	6.7
171.08028	2.0
171.11722	5.9
173.11732	5.0
173.13202	4.1
175.11276	9.2
177.12761	5.1
181.10115	2.8
183.11734	4.1
185.09634	5.9
185.13251	3.3
187.11192	4.5
189.09142	7.5
189.11221	7.4
189.12762	2.7
193.12228	8.4
195.11710	3.8
199.11186	6.9
201.12740	2.8
203.10693	10.5
203.12773	6.7
203.14464	3.0
205.12225	6.6
207.13770	2.3
209.13310	2.0
213.12769	3.3
215.14171	2.8
217.12221	4.2
223.13324	6.6
231.13805	3.6
237.14841	2.2
245.15434	2.7
249.14836	9.3
263.16394	3.5
283.20660	3.0
301.21561	8.9
305.17526	2.1
311.20071	17.3
319.22809	2.5
329.21078	100.0
330.21317	6.4
340.15314	11.2
340.65741	3.8
347.22153	14.1
367.22803	3.6
385.23785	7.2
403.24734	54.2
421.17691	2.8
421.25867	71.7
421.68130	3.6
422.26190	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	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32345	2.0
50.36317	2.4
53.03928	5.8
55.05500	17.8
56.04756	2.1
57.07063	5.7
67.05492	27.4
68.05822	2.4
69.03409	2.2
69.07062	14.4
71.57623	3.7
79.05485	12.8
81.03345	2.4
81.07049	47.3
83.04964	14.7
83.08602	7.4
86.84351	2.3
91.05466	30.3
93.07032	40.0
95.04964	12.7
95.08593	67.3
97.06503	4.4
105.07016	39.6
106.89183	2.4
107.04932	4.4
107.08585	35.1
109.06489	4.6
109.10134	24.7
111.04416	8.4
111.08068	7.6
117.06996	16.7
119.08558	40.5
121.06444	3.8
121.10119	31.8
123.08038	7.1
123.11691	15.4
125.06036	2.2
128.06190	6.1
129.06989	13.7
130.07724	2.8
131.08554	38.2
133.10121	35.7
135.07997	3.3
135.11688	19.2
137.09637	2.2
137.13216	4.3
139.07492	5.0
141.06953	6.3
141.09059	2.1
142.07716	6.1
143.08553	28.8
144.09311	6.3
145.10112	40.3
146.10764	2.7
147.08063	3.2
147.11671	21.0
149.13237	8.7
155.08496	11.7
156.09258	5.2
157.10103	33.2
158.10793	4.5
159.11673	46.3
159.12968	3.2
161.09584	6.9
161.13248	21.6
163.14806	5.7
168.09280	3.9
169.10130	18.7
170.10815	4.0
171.11690	28.7
172.08900	2.9
172.12386	4.1
173.09645	3.2
173.13234	37.4
175.11220	3.7
175.14818	21.1
179.10687	2.6
181.10144	7.5
182.10924	4.8
183.11661	21.7
185.13197	19.8
186.10492	2.6
187.14807	41.2
189.16389	13.6
195.11638	9.6
196.12473	4.6
197.13208	16.9
199.14787	24.8
199.16370	3.5
200.15306	2.6
201.12762	2.6
201.16365	27.9
203.17961	3.9
209.13200	8.7
210.14056	3.4
211.14824	16.8
213.12677	4.0
213.16347	8.6
215.14336	4.7
215.17987	4.4
219.13879	3.9
223.14848	7.4
225.16350	11.0
227.17940	10.0
229.19379	3.1
231.13838	4.0
235.16864	2.6
237.16458	5.6
239.17891	14.4
241.19510	4.4
251.17799	4.7
253.19411	7.9
265.19473	7.2
267.20996	6.5
277.19583	2.9
279.21103	9.1
281.22617	38.8
283.24179	6.7
301.95627	2.2
307.24112	5.4
311.19962	4.1
321.25635	5.0
322.26526	12.7
329.21069	10.3
329.24561	2.5
357.62994	2.3
379.26407	3.5
403.24634	5.5
403.29645	4.3
421.25980	6.1
421.30905	100.0
422.31104	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.8
57.03414	2.2
57.07074	26.0
58.33023	2.0
61.89581	1.8
65.03947	2.6
67.05507	18.8
69.07064	45.4
70.84429	3.0
70.84765	4.9
71.08640	22.0
75.85783	2.3
79.05492	13.7
81.07046	52.9
83.04971	43.3
83.08612	24.8
85.10172	10.5
91.05470	14.5
93.07034	29.8
95.04971	3.4
95.08597	51.5
95.12616	2.3
97.10146	14.1
99.07955	2.2
105.07024	35.1
107.08590	44.5
109.06505	7.8
109.10148	30.4
111.08096	6.2
111.11694	5.4
119.08567	33.1
121.10130	31.2
123.08057	15.0
123.11682	29.3
125.13239	2.4
131.08560	11.2
133.10135	28.0
135.08023	8.2
135.11681	43.1
136.12076	2.9
137.05980	24.7
137.09590	6.2
137.13213	11.6
139.07552	11.0
143.08543	2.9
145.10144	13.2
147.11674	28.4
149.09641	2.8
149.13234	12.5
151.07523	7.9
151.11163	5.6
155.07007	7.2
157.10144	7.4
159.11707	8.8
161.09619	22.9
161.13222	21.7
163.11119	2.8
163.14790	8.2
164.10808	2.1
165.09122	3.4
165.12686	3.8
171.11653	6.6
173.13266	7.8
175.11197	12.6
175.14810	12.6
177.12717	4.2
177.16347	3.7
179.10605	3.9
179.14319	2.7
183.11626	2.4
185.13171	3.8
185.81065	2.2
187.14731	5.5
189.12816	9.8
189.16374	6.1
193.12180	4.0
199.14801	9.3
201.16402	10.4
203.14288	3.1
203.17920	23.0
207.13786	4.6
213.16481	2.7
215.17972	3.7
221.15393	4.2
241.19501	4.3
243.21149	3.0
245.19116	2.7
253.19557	2.2
255.21025	5.6
257.22571	4.3
262.31729	2.0
269.22617	5.1
273.06091	2.7
273.21912	2.2
281.22809	2.3
283.20596	2.8
285.22064	2.6
285.25525	2.4
335.27283	4.2
357.35150	3.4
375.36215	30.8
385.34738	10.5
393.35117	8.8
403.35776	49.2
404.35825	3.0
421.36758	100.0
422.35785	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	421.367
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.56170	0.6
53.03895	1.7
54.65264	0.7
55.01805	2.3
55.05443	8.9
55.21516	0.7
57.03385	1.1
57.07003	5.6
57.07312	1.0
57.65428	0.6
67.05424	10.1
69.03368	1.1
69.06989	18.9
69.07393	1.7
69.54073	5.9
71.08551	4.3
71.08961	1.1
79.05406	1.8
81.06978	2.8
83.04914	0.9
83.08609	9.0
85.06464	0.9
85.10110	1.1
91.05484	6.3
93.07030	38.1
95.04881	2.4
95.08595	23.4
95.09167	1.0
97.06448	2.1
97.10148	5.4
99.41352	0.8
105.06969	1.7
107.08582	4.6
109.10052	3.2
109.57550	0.7
111.08066	20.2
111.11632	2.2
119.08493	2.1
121.06403	2.7
121.10036	2.1
123.07970	1.1
123.11623	1.1
125.09574	1.4
127.07507	3.5
131.08482	1.2
133.09982	1.1
133.97548	0.8
135.08028	1.0
135.11684	1.3
137.09534	2.3
139.07520	23.1
145.10109	1.3
147.11531	1.3
149.09549	1.0
151.11076	2.2
153.09094	13.3
157.08505	4.7
157.09877	1.3
167.10670	9.3
179.10619	1.0
181.12212	7.4
193.12186	1.7
195.13791	6.7
207.13838	4.1
209.15419	3.8
209.17023	0.7
221.15263	2.1
223.16835	2.6
235.16856	0.8
249.18408	1.0
251.20001	1.9
265.21594	3.2
277.21552	1.4
279.23065	1.2
291.23172	0.9
293.24884	1.2
321.27927	1.5
403.35663	100.0
404.35992	8.3
421.36716	35.3
422.37158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3671
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
53.03938	6.7
55.05253	5.3
55.05502	52.6
57.03423	4.1
57.07070	57.6
67.05479	18.2
69.06717	6.2
69.07061	80.8
71.03641	8.6
71.03961	4.7
71.08632	40.2
76.76189	3.9
79.05476	16.0
81.07045	46.4
83.04974	87.1
83.08610	39.6
85.10149	13.8
91.05438	8.3
93.07038	21.0
95.08605	47.0
97.06519	4.3
97.10149	22.5
105.06999	12.7
107.08585	22.5
109.06496	13.3
109.10139	26.8
111.08071	10.5
111.11691	11.0
116.08096	3.6
119.08587	25.5
121.10137	21.4
123.08031	24.2
123.11695	14.1
133.10133	17.0
135.08028	15.9
135.11638	10.1
137.05951	43.0
137.09660	8.9
139.07507	12.4
145.10136	4.9
147.08028	5.6
147.11659	12.4
149.09581	5.3
149.13200	5.5
151.07559	10.9
151.11169	11.9
151.14821	4.4
153.09050	5.5
155.07025	16.8
157.09990	4.2
159.11653	8.4
161.09627	35.2
161.13211	17.3
163.14822	5.1
165.09091	7.0
165.12703	10.5
171.11632	4.5
175.11163	18.3
177.12709	7.1
179.10632	8.6
179.14215	6.7
181.12225	6.4
189.12732	20.6
193.12163	4.7
203.14342	4.6
207.13789	7.8
257.59460	4.2
272.99374	4.9
357.35132	5.8
375.36105	46.2
385.34506	17.8
403.30777	6.4
403.35712	86.0
421.36835	100.0
422.36990	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	421.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15763	2.1
52.45030	2.1
53.03952	2.2
53.78208	2.2
55.05509	31.6
57.07066	33.0
62.04152	2.0
67.05501	20.7
69.07063	40.8
69.07408	4.1
70.66850	7.0
71.08623	18.1
74.65557	2.5
79.05469	10.7
81.07056	29.8
83.04977	59.7
83.08600	26.9
85.10184	10.4
91.05492	8.3
92.37547	2.2
93.07033	23.7
95.04982	2.9
95.08596	34.7
95.09140	2.6
97.10160	13.9
105.07010	19.5
106.52998	2.2
107.08582	22.9
109.06501	11.3
109.10151	20.5
111.08113	4.4
111.11737	7.7
113.05962	2.3
119.08556	19.3
119.37027	2.3
121.10143	15.4
123.08066	16.5
123.11683	12.5
127.80796	2.0
133.10107	13.1
135.08055	11.1
135.11656	10.6
137.05956	24.0
137.09651	5.3
137.13239	5.4
139.07565	9.9
143.08582	3.5
145.10168	6.2
147.08102	3.0
147.11626	16.3
149.09657	2.8
149.13268	8.8
151.07549	6.4
151.11156	5.0
155.07051	5.1
157.10132	4.3
159.11716	6.4
161.09605	24.0
161.13223	14.4
163.11139	2.3
163.14803	2.9
165.09132	3.5
165.12712	5.3
171.11751	5.1
174.10580	2.6
175.11180	12.7
175.14900	6.7
177.12791	4.0
179.14220	3.0
187.14883	3.8
189.12750	17.5
189.16385	6.1
191.14291	2.9
193.12257	4.4
195.13855	3.6
201.16431	5.5
203.14326	3.7
203.18015	7.7
207.13887	5.0
278.70206	2.9
357.35086	2.7
375.36148	49.7
376.36560	3.3
385.34665	22.3
393.35532	3.1
403.35666	79.9
404.36163	10.3
421.36798	100.0
422.36829	8.2
422.64459	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	422.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
57.60829	1.6
59.04216	1.6
64.69651	1.6
67.05486	2.9
69.03420	12.5
69.07049	6.4
69.30125	18.2
70.06578	2.4
72.92717	1.9
79.05480	3.4
80.89485	1.7
83.04961	9.7
85.02881	4.5
86.09683	3.1
93.07035	2.8
97.02882	2.4
97.06514	10.6
105.07008	3.4
107.04961	2.2
109.06522	2.9
109.10158	2.1
119.08576	3.2
121.36638	1.9
125.05972	52.7
125.06844	3.5
125.51968	1.6
129.56609	1.7
133.10106	3.6
137.09589	7.4
143.07011	100.0
147.04381	5.0
153.01820	2.1
161.09563	3.0
163.11130	2.0
165.09093	4.8
176.98404	1.8
189.09082	3.5
199.09608	19.0
206.10332	9.3
207.10103	9.4
207.13893	2.9
216.97934	2.0
217.10684	34.4
220.24069	1.9
225.11171	6.4
225.14720	3.0
234.98958	9.7
243.12262	4.4
260.14795	2.0
305.01059	4.2
317.06708	3.8
319.04538	2.5
363.07413	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	423.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16609	0.5
55.01859	1.5
57.03436	0.6
61.02910	0.7
69.03424	0.7
80.76930	0.6
81.03398	0.7
85.02876	2.6
85.90359	0.6
103.03919	0.7
107.01298	1.0
109.02828	0.8
111.00758	0.6
124.41841	0.6
137.02306	0.9
152.99977	0.7
153.01828	9.5
155.01614	3.5
169.02734	0.7
171.02892	0.8
171.04359	1.3
180.99588	1.5
188.39128	0.7
195.02859	4.3
197.05882	0.8
201.05424	1.2
211.03831	2.9
219.02885	2.1
221.05962	1.1
225.05412	3.8
227.03297	0.9
228.04063	0.8
229.04897	3.3
229.17393	0.8
237.05722	0.9
239.03387	0.8
243.06528	0.8
245.04431	3.1
249.05417	1.0
253.04941	2.4
255.02917	0.8
256.03613	0.8
257.01706	1.3
257.04410	24.3
257.38351	0.6
260.03131	4.5
261.03943	4.6
263.01877	2.4
267.02902	1.8
267.06244	0.8
269.04462	1.0
271.02707	1.1
271.05969	7.5
272.06000	0.7
273.03903	100.0
274.04486	7.5
275.05081	0.6
277.04865	1.2
281.04373	2.9
283.05951	0.7
284.03058	1.8
285.03952	12.2
285.07419	2.0
287.01981	0.8
287.05374	1.3
295.05960	3.6
297.04062	3.7
298.04523	0.8
299.01886	3.4
299.05411	22.5
300.05807	0.8
302.04361	0.9
303.04959	51.1
304.05264	2.3
310.04730	1.2
311.05392	2.7
313.06973	6.5
317.01151	1.7
323.05563	4.0
327.04959	31.5
328.05219	1.2
335.02118	3.3
339.04962	16.1
340.05179	0.9
341.06439	1.7
351.00964	1.1
351.04968	9.7
357.05969	10.2
361.03525	0.9
369.06006	16.1
387.07077	14.6
388.07358	0.8
405.08197	4.5
407.03973	1.1
423.07880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2009
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
53.03930	0.8
67.05478	0.4
70.85592	0.7
78.04700	4.0
79.05094	0.4
79.05492	4.5
81.06986	0.4
91.05463	2.6
93.07037	0.7
95.04944	1.6
96.05749	0.4
97.06493	0.5
103.05454	4.9
105.03330	0.5
105.07016	6.0
106.03526	0.4
106.04150	2.5
107.04945	6.7
115.05429	2.5
117.07018	1.2
118.04162	0.5
118.98348	0.4
119.04942	1.1
121.06523	1.8
122.03633	1.0
123.04403	8.7
123.08047	0.7
124.05240	3.6
125.05984	0.9
127.05521	0.4
128.56581	0.4
129.06972	1.6
130.07811	0.4
131.04910	6.1
131.08505	0.5
132.05771	0.6
133.06480	5.3
134.03584	1.0
135.08029	1.4
137.05991	2.2
141.06946	0.9
143.04889	0.6
143.08597	0.5
144.05685	1.1
145.06454	2.5
147.04373	1.8
147.07982	0.5
149.06018	0.8
151.03876	1.9
151.07523	2.3
152.04681	2.7
153.05435	1.3
155.05983	0.4
157.06503	0.8
158.07291	1.2
159.08052	1.5
160.05167	0.5
161.05954	6.2
162.06361	0.5
163.07524	12.0
163.76172	0.4
167.07022	100.0
168.07462	3.7
169.06490	0.4
169.08163	0.9
172.05086	0.6
173.05956	1.1
173.09587	1.0
175.07553	1.6
177.09131	1.2
177.36208	0.4
178.06122	0.5
179.07036	2.5
181.08568	4.7
187.07547	2.9
188.08110	0.5
192.07814	0.9
192.72342	0.4
193.08583	16.8
195.10152	0.7
201.09122	2.0
203.08643	0.6
205.08591	1.1
207.10091	0.7
217.08545	0.6
219.08165	0.6
219.10065	2.3
221.11693	0.5
231.07892	0.5
233.11681	2.8
237.11154	2.4
248.08176	0.4
251.12714	0.5
259.07632	0.4
263.10730	0.7
268.17407	0.4
271.05978	0.5
277.15622	0.4
291.10199	1.0
295.13129	1.1
323.12698	1.8
355.15344	2.6
387.18121	0.5
395.02850	0.5
406.84378	0.4
412.46860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01854	3.2
55.05503	11.8
56.01868	1.8
65.03926	2.3
67.05173	2.0
67.05497	35.7
69.03400	2.6
69.07048	4.9
69.33489	20.4
71.04977	3.7
79.05484	15.8
81.07041	28.6
83.04964	15.5
83.08591	3.9
91.05058	1.7
91.05471	20.3
93.07031	36.2
95.04934	7.8
95.08591	70.8
96.09855	2.3
97.02941	2.3
97.06503	6.2
105.06372	2.4
105.07018	26.8
107.04897	2.5
107.08580	28.6
109.06516	3.5
109.10139	25.2
111.04465	9.9
111.08094	10.1
113.06062	3.1
115.05425	3.4
117.07001	15.3
119.08588	22.8
121.06470	8.1
121.10139	15.2
123.08021	9.0
123.11699	4.6
124.39313	2.1
125.05961	2.6
125.09615	2.0
128.06197	14.0
129.06982	12.7
131.08559	27.7
133.06456	2.2
133.09230	2.4
133.10121	26.0
134.10817	2.1
135.08035	5.6
135.11646	9.4
137.05954	2.8
137.09616	2.6
139.07501	5.4
141.06947	7.8
141.09111	3.1
142.07741	6.9
143.08543	35.8
145.06442	7.1
145.10139	25.3
147.08020	7.1
147.11687	10.0
149.09653	2.9
149.13235	4.7
152.06218	3.4
153.06926	4.9
154.07719	3.2
155.08557	16.0
156.09282	3.5
157.06407	4.6
157.10085	17.3
158.07262	3.7
159.08026	11.5
159.11688	22.5
161.05937	8.7
161.09583	6.5
161.13266	3.3
163.11139	3.8
165.06940	7.5
166.07715	2.3
167.08542	14.1
168.09290	3.5
169.10110	15.0
170.10893	3.2
171.08011	53.5
171.11642	9.3
172.08609	2.7
173.09642	12.0
173.11754	4.4
173.13142	4.8
175.11137	3.8
175.14821	2.7
177.09097	2.3
179.08562	4.9
180.09285	4.3
181.06461	2.9
181.10069	14.4
183.08052	10.3
183.11649	13.2
185.09560	13.2
185.13203	9.1
186.10208	5.4
187.11139	9.0
187.14792	9.2
188.15063	3.4
189.09122	13.1
191.08809	2.5
191.10608	7.9
193.10081	7.6
194.10831	3.1
195.07964	4.4
195.11745	13.1
195.13306	3.0
197.09738	4.2
197.13167	4.2
199.07556	2.3
199.11044	3.2
199.14871	2.6
201.09125	5.0
203.10649	7.9
207.11624	7.0
209.09596	4.3
209.13226	9.3
211.11040	3.3
211.14825	3.7
213.09076	31.1
213.12566	3.8
215.10617	4.9
215.14270	7.2
219.11572	4.3
219.13565	2.5
221.09665	2.7
221.13332	5.2
223.11172	4.1
223.14769	8.7
225.12646	2.7
227.10599	8.1
227.14185	3.6
231.13779	3.2
232.12416	3.0
233.13232	3.0
233.15373	3.3
235.11200	3.2
235.14703	5.8
237.12688	4.2
237.16335	6.1
239.18005	2.4
241.12149	3.1
247.14769	6.0
249.12552	3.9
249.16399	4.8
251.14230	2.8
255.13780	3.5
261.16495	2.2
263.14114	2.2
265.15866	12.6
277.19434	3.8
281.15308	2.8
283.16895	12.4
291.17319	6.5
309.18500	5.0
331.20319	2.1
359.23557	6.6
369.22046	4.1
377.24530	11.0
387.23074	18.6
405.24130	37.2
406.24481	2.4
423.25159	100.0
424.25507	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	423.2522
Annotation	Clusiparalicoline A
Peak:m/z	Relative Intensity
50.05276	0.5
50.05516	0.4
51.02364	0.6
53.03929	0.6
55.05506	4.1
57.03413	0.9
65.03920	0.5
65.64671	0.5
67.05498	19.3
67.05860	1.0
69.07048	1.5
71.04978	0.7
71.08059	0.8
79.05484	6.1
81.07047	10.3
83.04971	9.0
83.08592	1.9
85.06544	1.0
91.05458	5.7
93.07035	13.9
94.07346	0.6
95.04951	1.8
95.08595	28.2
96.08902	0.7
97.06503	0.8
99.04440	1.1
105.07021	5.2
107.08583	7.7
109.06504	1.0
109.10136	8.3
111.04427	5.8
111.08067	5.0
115.05391	0.5
117.06983	3.5
119.08564	6.3
121.06474	1.3
121.10113	5.0
123.08028	1.0
123.10862	0.4
123.11637	2.5
125.06012	0.6
125.37664	0.4
128.06198	1.2
129.06992	2.3
131.08556	6.1
133.09203	0.8
133.10117	8.4
134.10876	1.1
135.07971	0.8
135.11687	4.6
137.09561	0.7
139.07516	2.8
141.07018	1.1
142.07756	1.4
143.08537	9.7
145.06442	1.0
145.10091	5.8
147.08011	0.8
147.11667	0.9
149.13239	1.8
154.07666	0.5
155.08578	2.6
155.10600	0.7
157.10109	3.6
158.10820	0.6
159.08034	1.8
159.11664	6.8
161.09579	0.8
163.07574	1.0
166.07692	0.6
167.08525	0.7
168.09338	0.7
169.10144	3.0
171.08034	0.6
171.11635	1.0
172.08727	0.8
173.09598	2.4
173.11725	1.9
173.13107	0.6
177.09103	1.4
179.08473	0.6
181.10117	2.6
182.10892	0.7
183.11653	2.2
185.09653	1.0
185.13203	0.6
186.10373	2.1
187.11159	2.6
187.14796	3.8
189.09073	0.9
191.10640	4.4
193.10085	0.8
194.10793	0.8
195.11671	2.5
195.13770	1.4
197.13242	1.7
200.11952	0.8
203.10616	5.7
207.11578	0.7
208.12428	0.6
209.13191	2.7
215.10672	1.7
215.14259	2.6
216.11298	0.5
217.12038	0.6
221.13257	0.8
223.14775	3.8
227.10683	1.4
229.12213	0.7
233.15332	1.2
241.12190	1.4
242.13000	0.5
243.13774	0.8
253.72179	0.5
255.13750	1.2
259.31238	0.5
268.14594	0.4
269.15320	1.0
281.15356	0.5
283.16794	2.3
314.15643	0.5
414.36539	0.5
423.25214	100.0
424.25546	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2526
Annotation	Clusiparalicoline A
Peak:m/z	Relative Intensity
53.03921	0.8
55.04735	0.5
55.05505	6.0
57.03417	0.9
57.07047	0.9
59.04962	0.7
65.03907	1.6
67.05495	27.3
69.07062	3.8
69.23331	0.5
70.06565	1.2
70.14573	1.2
70.14994	2.2
71.04971	1.8
79.05484	6.5
81.07047	16.3
83.04971	8.5
83.08615	2.8
85.06536	0.8
88.07590	1.6
91.05476	6.3
93.07037	15.8
94.07314	0.6
95.04994	3.0
95.08597	26.3
96.03418	0.5
97.06483	1.4
99.04410	0.9
99.08060	0.7
102.09126	1.5
105.07019	5.9
106.69745	0.6
107.07948	0.7
107.08582	9.5
109.06484	1.4
109.10145	14.8
111.04417	6.0
111.08070	5.5
117.06979	2.9
119.08559	6.0
121.06459	1.3
121.10123	5.7
123.08061	1.2
123.11686	2.2
125.05943	1.1
128.06183	1.6
129.07002	3.0
130.07605	0.6
131.08562	6.9
133.10121	9.1
134.10846	1.5
135.08078	0.5
135.11658	5.6
137.09596	0.9
139.07465	2.5
141.06946	1.3
142.07712	0.9
143.07661	0.6
143.08548	6.8
145.06407	0.9
145.10101	5.4
147.07884	0.8
147.11617	0.8
149.02322	6.0
149.13181	2.4
150.02721	2.6
153.06941	0.7
154.07623	0.6
155.08496	2.8
155.10562	0.7
157.10068	3.4
158.07254	0.8
159.07991	1.1
159.11696	6.5
161.09604	0.7
163.07581	0.8
165.06898	1.0
166.07785	0.6
167.08517	1.1
169.10106	4.3
171.11604	0.8
173.09552	2.1
173.11789	4.1
173.13115	1.3
177.09016	1.7
177.12585	1.1
179.08470	0.8
181.10030	2.3
183.11632	2.5
185.09525	1.3
185.13257	0.7
186.10329	1.8
187.11073	2.3
187.14767	3.1
191.10670	3.6
193.04942	5.6
193.10147	0.8
194.05281	4.2
195.11588	2.3
195.13687	2.3
197.09647	0.8
197.13136	1.1
200.11885	0.6
203.10645	5.0
207.11621	1.3
209.13156	2.4
215.10596	2.4
215.14189	2.2
223.11096	0.6
223.14798	3.6
224.27740	0.6
227.10518	1.1
229.12143	1.0
233.15237	1.3
241.12126	0.9
243.13712	1.1
247.14809	0.9
255.13783	0.8
256.26373	1.4
257.26810	3.3
269.15192	1.1
283.16797	2.4
360.64951	0.6
403.46008	0.5
405.24161	1.3
423.25046	100.0
424.25381	5.1
430.90311	0.6
439.65176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2525
Annotation	Lehualide A
Peak:m/z	Relative Intensity
53.03936	0.8
55.01858	0.6
55.05510	3.0
57.03416	0.8
57.07055	0.5
59.68988	0.4
65.03931	0.3
67.05157	0.6
67.05502	10.0
68.50819	0.3
69.03419	0.3
69.07043	1.1
71.04959	0.3
79.05488	3.1
81.07049	5.7
83.04976	9.3
83.08593	0.8
87.36465	0.3
91.05474	4.8
93.07037	11.2
94.07346	0.4
95.04957	2.8
95.08598	28.0
97.06487	0.8
99.04432	1.4
100.02668	0.4
105.04478	0.4
105.07027	4.7
107.08602	5.9
109.06501	1.3
109.10140	3.0
111.04440	6.2
111.08072	4.8
113.06039	0.4
113.16921	0.4
115.05434	0.6
117.07025	2.5
119.08597	6.0
120.13294	0.3
121.06493	1.2
121.10136	5.3
123.08018	1.0
123.11704	2.6
128.06218	1.1
129.07008	2.9
131.08562	5.5
133.10109	8.0
134.10890	1.6
135.08073	0.6
135.11684	4.2
136.08379	0.4
137.05948	1.0
139.07532	3.3
141.06940	0.8
142.07809	0.8
143.08553	9.1
144.08972	0.5
145.10120	6.4
147.08047	1.3
147.11613	0.9
149.02303	0.6
149.13222	0.6
154.07800	0.5
155.08551	2.2
157.10133	3.3
159.08052	1.2
159.11685	5.9
161.09531	0.5
161.13269	0.5
163.07533	1.0
166.07739	0.6
167.08556	1.6
168.09248	0.5
169.10141	3.4
171.08128	0.5
171.11659	1.6
173.09616	2.4
173.11769	0.7
173.13188	0.6
177.09093	1.5
179.08601	0.6
181.10118	2.7
182.10739	0.4
183.11659	2.5
185.09605	1.5
185.13269	0.6
186.10384	1.7
187.11237	2.5
187.14809	3.9
189.09094	0.6
191.10681	5.4
193.04887	0.6
193.10088	1.2
194.05295	0.5
194.10872	0.6
195.11713	3.5
197.13220	1.4
200.11902	0.8
201.09154	0.5
201.12616	0.4
203.10652	6.8
207.11705	1.2
209.09613	0.4
209.13303	2.0
213.09146	0.4
213.12668	0.4
215.10782	2.1
215.14319	2.3
216.11580	0.4
217.12106	0.5
221.13295	1.0
223.11217	0.8
223.14795	3.7
227.10542	1.8
229.12207	1.1
231.13910	0.4
233.15375	1.0
237.12747	0.4
241.12260	0.5
243.13834	1.0
244.14484	0.6
247.14857	0.7
255.13766	0.8
257.26566	0.5
265.15775	0.5
269.15280	1.5
282.16000	0.5
283.16934	2.3
405.23917	0.5
423.25244	100.0
424.25494	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00260	0.7
51.29751	0.8
53.00086	0.8
53.03922	3.0
55.01858	1.2
55.05253	0.9
55.05505	13.9
57.03418	3.6
57.07061	2.4
59.04985	2.7
65.03928	3.1
67.05497	100.0
68.05837	1.2
69.07063	9.2
69.30639	7.7
69.31044	1.6
71.04973	5.7
79.05484	20.8
81.03419	1.4
81.07050	46.8
83.04976	6.8
83.08604	9.0
85.06524	3.5
88.67920	0.9
91.05466	16.8
93.06451	1.7
93.07039	29.9
95.04955	4.1
95.08595	25.5
97.06509	4.3
97.10138	1.7
99.04427	1.2
99.08070	1.2
105.04488	0.9
105.07026	5.2
107.08585	19.5
109.06504	2.8
109.10143	55.6
111.04441	2.6
111.08075	6.5
117.06985	4.5
119.08569	8.0
121.06520	1.7
121.10120	9.1
123.11702	2.7
125.09599	1.0
128.06139	0.9
129.06987	2.5
131.08545	8.5
133.10138	8.4
134.10864	1.3
135.08109	1.0
135.11681	6.2
137.09583	2.8
143.08537	3.6
145.10141	4.1
147.11684	1.3
149.13246	13.5
155.08559	1.3
155.10651	3.3
157.10159	1.8
159.11655	6.4
161.09552	1.0
165.06946	1.1
167.06967	1.1
169.10095	1.6
173.09543	2.0
173.11723	17.7
173.13147	1.8
177.09172	1.1
177.12749	2.9
182.11009	1.0
183.11688	1.6
186.10449	1.2
187.11151	1.7
187.14851	2.0
189.84514	0.9
191.10645	2.3
195.11876	2.0
195.13785	10.0
203.10626	2.7
209.13226	1.1
215.10736	1.3
215.14374	1.7
223.14772	2.2
227.10794	1.4
227.18573	0.9
249.16472	1.0
269.18857	0.9
283.17075	1.7
423.26276	53.1
424.26218	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01854	2.0
55.05505	14.7
57.03418	2.6
57.07058	2.3
59.04988	3.5
64.63594	0.8
65.03936	2.6
67.05494	100.0
67.87775	0.8
68.05828	1.0
69.03425	1.4
69.07057	11.8
69.78891	0.8
70.09415	3.5
71.04985	3.6
79.05482	19.4
81.03430	1.8
81.07047	45.3
83.04980	4.9
83.08607	10.5
85.02905	1.1
85.06546	2.7
91.05463	17.8
93.07028	29.1
95.04958	2.8
95.08593	15.4
97.06521	5.9
98.21513	0.9
100.37345	1.0
105.07016	6.1
107.08578	16.2
109.06487	1.6
109.10139	59.9
110.10492	1.0
111.08060	5.1
117.06985	5.3
119.08570	6.8
121.06487	1.1
121.10130	8.9
123.11680	2.2
129.07022	1.6
131.08557	6.6
133.10101	8.1
135.08055	1.3
135.11646	5.8
137.09627	3.7
143.08543	1.7
145.10120	2.8
147.11649	1.9
149.13231	14.1
155.10681	3.5
157.10114	1.5
159.11685	8.0
161.13217	1.2
165.43250	1.1
172.98732	0.8
173.11723	21.1
173.13077	1.2
177.12796	4.0
181.10118	1.1
183.11809	1.3
195.13777	8.8
261.22229	2.3
339.23242	1.5
423.27457	45.6
424.27829	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	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	0.9
55.05500	10.0
55.35887	0.9
57.01711	0.8
57.07066	2.4
62.28206	0.7
65.03904	0.9
67.05161	1.4
67.05497	18.0
69.03399	1.2
69.07061	12.1
69.49858	5.7
71.04965	1.6
79.05484	9.8
80.49897	0.8
81.06560	1.8
81.07047	26.1
81.72993	0.7
83.04929	1.4
83.08608	6.9
83.25016	0.7
85.02907	1.3
91.05473	10.0
93.06459	1.2
93.07037	21.3
95.04919	1.9
95.08596	35.3
97.06524	1.6
97.10168	5.1
98.75616	0.8
105.07021	21.4
107.08584	26.7
109.06486	1.8
109.10143	23.0
113.06005	0.9
115.05475	1.4
117.07016	4.5
119.08569	25.3
121.06507	1.4
121.10130	21.5
121.11012	1.1
123.08042	1.8
123.11696	6.6
125.09616	1.1
128.06160	1.3
129.06979	2.8
131.08562	11.0
133.10120	21.1
135.08034	2.8
135.11665	9.6
137.09608	1.6
137.13231	3.0
139.07452	1.1
141.06975	2.1
141.09039	1.0
142.07784	2.6
143.08559	10.1
145.10107	15.3
147.11673	14.7
149.09637	1.0
149.13246	8.0
151.14841	1.4
153.09117	1.0
155.08521	3.2
156.09294	2.2
157.10114	14.0
159.08043	1.7
159.11676	16.5
161.09586	2.4
161.13239	9.9
163.11153	1.6
163.14801	6.5
165.16324	0.8
167.10631	1.8
168.09364	1.3
169.10091	8.4
170.10713	0.8
171.11661	10.6
172.12286	0.7
173.09578	1.1
173.11784	1.6
173.13199	10.4
175.11162	1.4
175.14822	6.5
177.09077	1.5
177.12820	1.6
177.16351	6.5
179.10689	1.0
181.10138	1.2
181.12193	2.4
182.10716	0.7
183.11667	6.8
185.13252	7.1
187.11267	2.3
187.14798	9.1
189.16353	8.6
191.10571	1.5
191.17889	1.6
191.32390	0.8
193.12206	1.4
195.11714	2.6
195.13675	2.0
197.13225	7.2
199.11186	1.0
199.14807	5.7
201.16400	6.3
203.14331	0.9
203.17938	4.6
205.12227	1.3
207.13773	2.9
209.13254	2.7
210.13962	1.0
211.14819	6.7
212.15486	1.2
213.12856	0.8
213.16327	6.1
215.14316	1.2
215.17896	4.9
217.12170	1.1
217.19556	1.5
219.13814	2.0
221.13333	0.9
221.15332	1.6
223.14818	2.5
225.16299	4.3
227.17989	4.2
229.19496	3.5
231.13776	1.0
231.21111	1.1
233.15350	3.2
235.14856	1.3
237.16251	1.6
239.17899	2.7
241.15987	1.0
241.19536	4.5
243.21100	1.9
245.15408	1.0
247.17041	1.5
251.18164	1.1
253.15706	0.8
253.19533	5.3
255.21124	2.7
257.22855	1.4
259.16986	1.6
260.04749	0.8
261.18695	1.0
267.21066	3.5
269.22629	2.3
271.16986	1.4
273.18481	2.5
281.22519	1.4
285.18536	2.1
287.20181	1.3
293.22629	1.1
295.24121	1.9
297.18341	1.0
299.20050	2.1
309.25674	5.0
311.20035	2.3
313.21652	4.2
315.30426	0.8
325.21680	2.5
327.23169	10.6
339.23062	11.3
341.24802	7.4
353.24756	6.0
367.26419	6.0
380.27185	1.1
381.27774	2.3
405.31586	2.3
410.08807	0.9
423.32504	100.0
424.27744	0.8
424.32864	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05508	4.4
57.03417	0.9
57.07067	2.0
64.68616	0.7
65.03935	1.0
65.25562	0.6
67.05499	12.6
69.03429	0.8
69.07062	6.0
71.04980	1.3
72.19434	0.7
74.29064	0.7
79.05491	4.6
81.07049	14.2
83.04961	2.7
83.08619	2.9
86.40794	0.7
91.05469	7.9
93.07030	15.7
94.07374	0.7
95.04964	2.0
95.08600	34.9
96.08914	1.2
97.06509	1.5
97.10155	1.5
105.07011	11.9
107.08588	14.5
109.06515	2.2
109.10142	14.2
109.19994	0.7
111.04448	2.0
111.08054	4.0
117.07018	2.9
119.08567	11.0
121.06514	1.2
121.10140	11.2
123.08076	6.1
123.11741	4.6
125.05983	0.9
125.09614	0.7
127.07526	1.3
129.06966	1.8
131.08565	8.9
133.10117	11.5
134.48436	0.7
135.08070	1.0
135.11693	7.3
137.09589	1.8
137.13254	1.6
139.07474	1.5
141.09102	3.9
143.08546	4.3
144.09320	1.4
145.10110	13.6
147.08112	0.9
147.11670	10.3
149.09607	1.2
149.13231	2.9
155.08490	1.8
157.10115	8.0
158.10780	1.2
159.11678	12.7
161.13243	8.4
163.11206	1.2
163.14787	1.9
169.10152	3.4
171.11681	8.4
172.12259	0.9
173.11850	1.1
173.13248	9.5
175.14793	4.7
177.16380	1.9
181.10146	1.3
182.10844	1.3
183.11696	8.1
184.12383	1.0
185.13235	10.7
186.13892	1.0
187.11185	1.5
187.14851	5.9
189.16422	4.2
191.10716	0.9
191.17958	2.2
197.13203	7.0
198.13994	2.8
199.14819	11.8
200.15593	7.0
201.12747	1.0
201.16347	10.0
202.16646	1.2
203.17987	3.7
207.13728	0.8
209.13234	1.7
211.14789	4.5
212.15514	0.9
213.12762	0.9
213.16403	5.5
215.17947	2.4
217.19566	1.2
219.13716	1.0
223.14786	2.1
224.15515	1.8
225.16325	3.9
226.17018	1.1
227.17877	4.5
229.15823	1.5
229.19458	2.7
233.15392	1.9
235.16899	3.1
237.16344	1.4
239.17929	37.6
240.18628	6.8
241.19453	7.6
243.21104	9.8
247.16896	2.7
253.19501	2.9
255.20959	4.1
267.21051	1.0
269.22678	1.8
271.16742	0.8
279.20883	0.8
281.22598	2.6
282.23090	1.2
283.24194	12.1
284.24539	0.8
313.21841	0.8
327.23163	1.0
339.23038	1.6
341.24789	4.4
353.24832	1.4
365.24844	0.9
367.26199	1.6
379.25861	1.0
380.11426	1.0
380.27106	4.7
381.27789	3.7
405.31293	1.4
423.32495	100.0
424.32870	8.4
429.66074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	Glochidone
Peak:m/z	Relative Intensity
51.84820	0.5
53.03927	0.9
55.01859	1.1
55.05500	7.7
57.03424	0.7
57.07059	2.2
59.04978	1.1
59.17160	0.5
65.03908	0.6
67.05490	8.7
69.07053	11.1
69.43536	1.5
69.43942	3.6
71.04974	1.2
71.08601	0.8
73.32027	0.5
78.60838	0.5
79.05476	7.0
81.07048	20.4
83.08595	5.5
85.06542	0.8
85.41177	0.6
89.06015	1.0
91.05461	7.4
92.80177	0.5
93.07027	16.5
93.07610	1.1
95.04965	1.3
95.08593	25.4
97.06511	3.1
97.10153	4.5
97.43740	0.5
99.08045	0.9
103.05435	0.5
105.07015	11.2
107.02026	0.5
107.08578	19.3
109.06505	1.1
109.10139	12.1
111.08055	2.4
111.11723	1.0
117.07014	3.2
119.08559	15.7
121.10124	18.0
123.08079	0.8
123.11679	8.9
125.09576	1.0
128.06178	0.9
129.06995	2.6
130.07748	0.7
131.08557	8.1
133.10098	10.4
135.11679	8.8
137.13240	6.1
139.11145	1.2
142.07742	1.0
143.08546	8.0
144.09302	1.5
145.10101	17.6
147.11670	7.3
149.13243	6.0
151.14732	1.0
155.08545	1.1
156.09315	1.6
157.10114	11.0
158.10844	1.1
159.11667	20.6
160.12122	0.9
161.13252	4.4
163.14821	3.0
165.09158	0.7
167.14330	2.2
169.10135	2.0
171.11673	9.7
172.12379	1.6
173.13222	8.4
175.14821	6.4
176.39987	0.6
177.16364	7.3
181.10213	0.7
183.11665	3.8
184.12444	0.6
185.13235	12.0
186.13947	1.1
187.14798	13.4
189.16328	5.3
195.11668	0.8
195.17421	2.9
197.13194	2.6
198.13884	0.6
199.14777	8.4
201.16347	16.2
202.16669	0.7
203.17889	1.4
211.14775	2.7
213.16341	14.0
214.16922	1.5
215.17885	4.3
217.19490	1.2
221.15253	0.7
221.34752	0.5
225.16319	4.0
226.17065	0.7
227.17896	11.6
228.18529	1.2
229.19470	6.6
239.14894	0.6
239.17827	1.3
240.18495	0.6
241.19443	5.6
243.21031	1.0
245.75713	0.5
253.19455	2.2
255.21030	3.3
267.20999	2.7
269.22687	1.3
281.22626	1.9
283.24124	14.1
283.56790	0.6
284.24414	1.1
380.30649	0.6
381.26065	0.7
381.30890	0.6
405.35159	3.7
423.36163	100.0
424.25632	0.6
424.36465	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.05497	16.2
57.07056	6.3
65.03941	3.1
67.05491	42.0
69.07058	25.4
70.79711	7.7
73.76400	3.2
79.05479	24.5
81.07047	78.8
83.04971	24.0
83.08594	9.5
89.05991	3.5
91.05466	24.9
93.07030	58.2
94.62043	2.5
95.04960	50.9
95.08593	100.0
97.06513	5.2
97.10128	6.7
101.43027	2.5
103.51512	2.7
103.72527	2.5
105.07018	49.4
107.08578	73.4
109.06471	5.1
109.10136	64.6
110.10490	3.7
117.06990	7.9
119.08556	48.0
121.10126	53.8
123.08060	40.4
123.11714	22.4
131.08522	11.0
133.10118	32.0
135.11664	30.0
136.12059	3.8
137.13228	5.0
143.08557	3.6
145.10103	21.8
147.11659	31.6
149.12143	4.7
149.13232	46.4
157.10170	6.5
159.11674	25.4
161.13246	33.4
163.14796	35.3
171.11662	5.6
173.13237	11.3
175.14767	22.9
177.16359	20.9
179.14307	3.4
185.13202	5.1
187.14812	15.2
189.16298	15.1
191.17953	9.5
197.13362	3.1
199.14786	5.5
201.16362	12.8
203.17914	40.0
205.15910	3.7
213.16316	7.2
215.17944	6.6
217.15822	4.2
217.19319	13.1
227.17938	3.9
229.19443	5.4
231.17589	3.9
231.20984	4.5
255.21063	4.2
281.39499	3.1
299.27325	3.2
311.49225	3.3
313.82904	2.7
365.31735	3.8
405.34921	8.7
405.55136	2.6
423.36258	63.1
424.36420	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.7
57.07053	1.9
65.03945	2.5
66.20531	2.1
67.05173	3.2
67.05501	34.8
69.07056	27.1
69.34158	23.3
69.43694	2.2
74.11291	2.4
78.35251	2.2
79.05486	30.5
81.07048	82.3
83.04974	18.1
83.08596	7.8
84.99279	2.1
85.69776	2.1
91.05473	20.7
92.46557	2.1
93.06468	3.3
93.07033	53.9
95.04958	34.7
95.08599	100.0
97.06458	4.0
97.10145	6.5
103.05446	3.1
105.07024	48.6
106.07330	2.5
107.08583	69.6
109.06474	4.9
109.10150	56.0
109.84821	2.4
111.08084	2.6
117.06963	4.3
119.08572	43.0
121.09312	3.6
121.10133	53.4
123.08039	24.0
123.11679	21.2
129.07039	2.7
131.08545	16.9
133.10104	35.5
135.11644	22.6
137.13248	5.7
143.08525	6.6
145.10107	24.6
147.11673	37.6
149.13235	50.3
157.10072	6.0
158.10979	2.3
159.11649	23.0
161.13258	32.5
162.13635	3.6
163.14793	35.1
171.11674	6.2
173.13237	15.0
175.14830	26.1
177.16406	14.2
178.38518	2.4
185.13197	7.6
187.14815	20.8
189.16367	17.7
191.17909	7.6
199.14699	6.0
201.16359	17.3
203.17931	39.4
213.16417	4.1
215.17950	5.2
217.15840	2.7
217.19444	12.4
227.17937	2.9
229.19453	2.9
231.17543	3.2
257.22668	3.1
271.24097	3.1
295.24283	2.8
299.27316	5.1
365.32080	6.1
381.28970	2.9
405.35156	12.0
423.25095	3.7
423.30795	4.5
423.36203	69.6
424.36606	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	Glochidone
Peak:m/z	Relative Intensity
54.43450	3.7
55.05495	11.4
59.04987	4.2
67.05495	18.4
69.07052	16.8
71.47175	8.8
72.08145	8.2
79.05479	12.3
80.94437	3.7
81.07042	37.8
83.08603	10.8
91.05475	13.5
93.07050	24.9
95.08585	45.3
95.09590	4.3
97.10153	6.4
105.07001	29.2
107.08583	32.0
109.10146	44.7
109.56367	3.9
119.08579	40.3
121.10146	25.3
123.08071	5.7
123.11723	7.5
131.08519	6.0
133.10132	28.2
135.11656	15.1
145.10101	17.0
147.11668	28.6
149.13220	12.9
150.16090	3.8
156.83351	3.4
159.11682	13.1
161.13280	32.0
163.14812	6.3
173.13271	6.2
175.14864	16.7
177.16336	5.7
187.14819	9.3
189.16373	14.1
191.17993	12.7
199.14784	6.5
201.16338	10.8
203.17940	28.6
213.16415	5.2
217.19525	11.7
219.17464	8.1
229.19492	5.1
242.42297	4.0
313.24939	4.4
405.35202	10.4
423.31305	6.2
423.36118	100.0
424.36508	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.3
53.22388	2.3
53.28787	1.9
55.05507	22.5
57.07056	7.8
67.05501	32.7
69.07059	38.0
71.04974	2.3
71.08623	3.7
71.52262	2.9
71.72459	2.2
72.08149	46.1
79.05490	23.8
81.07046	71.7
82.07359	2.3
83.04971	5.7
83.08595	17.1
85.06552	2.7
85.10132	2.7
86.09682	12.4
91.05459	22.8
93.07034	54.5
95.04969	4.3
95.08595	77.9
96.08917	2.9
97.06518	5.6
97.10160	9.6
105.07013	48.2
107.08581	74.3
107.68153	2.0
108.05234	2.3
109.06496	10.4
109.09431	4.6
109.10140	59.9
110.10470	3.0
111.08006	3.1
111.11715	3.5
114.35709	2.1
117.06998	8.3
117.29616	2.2
119.07773	3.6
119.08570	51.1
121.10121	51.6
123.08033	12.9
123.11691	32.4
125.09641	2.4
131.08536	20.5
133.10110	43.2
135.11679	37.2
137.09583	2.8
137.13245	12.0
139.11183	3.4
142.07790	2.5
143.08559	10.7
145.10094	35.5
147.11650	37.4
149.09596	5.5
149.13237	24.2
151.11177	3.2
151.14825	3.3
153.64395	2.2
155.08510	2.6
157.10124	13.2
159.11676	30.0
161.13254	24.0
163.14830	16.5
169.10086	5.6
171.11684	12.8
173.13223	20.4
175.14769	22.7
177.12790	3.0
177.16412	8.5
179.14294	21.4
183.11658	6.1
185.13200	12.2
187.14836	17.4
189.16368	17.0
191.14334	4.1
191.17929	13.7
193.15938	4.0
197.13245	8.5
199.14763	14.1
201.16344	11.2
203.17960	15.0
205.15887	2.9
211.14854	3.8
213.16295	11.3
215.17879	11.2
217.19496	9.1
225.16428	4.3
226.17174	2.4
227.17920	7.9
229.19455	10.4
231.21031	9.5
233.19011	4.4
239.17926	4.4
241.19473	10.0
242.60127	2.2
243.21040	13.2
245.22673	2.6
253.19496	5.1
255.21008	15.6
257.22653	10.2
267.21057	2.8
269.22610	20.1
271.24112	7.6
283.24188	5.4
285.22134	2.6
309.25809	3.2
330.69168	2.4
331.26334	8.0
337.28882	2.9
338.81522	2.1
341.28735	2.4
347.60672	2.8
405.35043	21.5
423.31183	23.9
423.36142	100.0
424.36523	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	424.069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02708	0.8
53.64860	0.8
55.01863	1.1
67.01835	2.8
68.99774	2.9
69.03419	1.2
71.53575	1.0
71.53983	1.0
74.00656	1.2
81.03420	1.3
85.01104	2.8
87.74225	0.9
88.03951	1.0
91.05470	1.3
93.03396	0.8
97.01086	1.6
99.02650	1.8
101.95927	0.8
107.69567	0.7
111.00771	2.8
111.04408	2.0
113.00544	4.5
120.51966	0.8
121.02848	1.7
123.02620	0.8
123.04449	2.2
125.00581	1.6
127.02110	7.5
127.03867	1.2
131.08566	1.2
137.02347	2.4
139.03870	2.2
141.00029	15.5
145.06146	0.9
147.04329	0.9
149.02315	3.1
153.00043	8.6
153.01805	100.0
155.01590	54.4
155.02907	1.8
163.02135	1.4
163.03882	1.2
165.00533	0.9
165.01842	3.3
166.02588	1.5
168.99532	3.5
171.02850	5.4
174.96877	1.1
179.01588	10.0
179.03369	5.9
180.99525	15.8
181.01292	7.9
183.01080	5.7
184.19020	0.8
191.01566	0.9
194.02124	2.3
195.02859	65.1
200.04681	1.2
207.02809	0.9
208.98952	5.8
217.04973	1.2
219.01083	3.5
228.04123	2.4
229.04953	1.1
231.01009	2.2
233.02596	1.5
235.00774	1.3
245.04391	1.6
247.00548	2.4
248.70352	0.9
249.02057	1.1
255.03065	2.6
256.03589	2.8
257.04449	1.3
258.04785	2.3
259.00516	1.4
261.02036	5.6
271.00571	2.0
272.05823	6.8
273.03983	5.6
274.04312	15.6
274.99930	1.7
279.03189	1.9
284.03113	11.1
285.03818	3.8
286.04263	2.0
289.01648	8.0
297.02090	1.3
300.05771	3.1
302.04160	10.1
303.04703	2.0
304.05240	6.9
307.02649	1.1
315.02997	1.2
317.01099	18.9
325.01874	1.6
328.05212	4.3
335.02151	52.7
336.02518	2.0
340.05389	2.5
343.02597	8.0
352.05237	1.2
358.06143	1.0
361.03705	8.1
370.06610	1.3
371.02191	4.0
389.03317	4.2
406.05850	2.9
407.04276	12.4
424.06866	6.6
425.13882	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	424.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.5
67.01845	1.8
68.99783	2.3
69.03426	2.3
70.02935	0.9
71.41070	0.9
74.00657	0.6
76.16660	0.4
81.03416	0.6
81.20087	0.5
84.04510	0.5
85.02900	0.8
88.03983	10.0
97.02869	1.6
104.09416	0.4
109.10151	0.6
111.00777	0.9
112.11182	0.8
113.02358	2.8
113.09611	0.8
120.01163	0.9
121.01110	0.6
123.69896	0.4
127.03902	1.6
129.00031	0.6
130.12253	2.7
137.00546	1.8
137.02298	0.7
137.09572	0.8
139.03847	0.6
141.00018	1.6
148.03938	0.5
149.00549	2.9
149.02313	0.9
153.01808	100.0
154.02156	1.6
155.01595	13.7
156.99574	1.6
165.00060	5.1
165.09102	0.6
166.00772	1.3
166.04875	0.4
167.01601	1.9
167.03377	0.7
168.99596	0.5
171.02863	1.8
174.07716	0.6
176.01694	0.6
179.01567	1.5
180.99536	2.2
181.01294	1.1
183.01082	1.1
183.10143	0.9
187.02061	0.5
188.01559	0.4
191.01599	0.7
192.99506	1.0
194.02701	17.7
194.04483	6.1
194.84402	0.4
194.86885	0.4
195.01250	0.5
195.02917	1.7
198.09174	0.6
201.11240	1.4
204.08612	0.8
206.02673	1.4
208.98947	0.7
209.02658	0.6
215.01555	0.6
219.01129	1.2
223.00627	0.4
226.08606	1.2
233.02643	1.4
240.03212	47.6
241.03592	1.0
243.01120	1.8
244.09557	0.9
245.04472	0.7
254.04762	1.4
255.03244	1.2
256.03308	0.6
261.02164	3.9
262.10770	1.7
267.13983	0.5
271.00571	14.8
272.05853	5.9
279.03140	4.4
284.03098	2.7
287.05505	1.8
289.01578	2.2
292.17654	0.6
299.00052	3.6
307.02664	5.5
315.03018	0.5
317.01089	28.3
318.01538	0.8
319.02658	9.4
335.02155	5.0
341.06906	0.5
342.04367	1.4
343.02542	2.2
388.04852	0.7
406.05847	6.9
407.04398	1.8
424.06955	3.3
424.21869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
57.66479	1.9
62.04100	1.6
67.05491	6.2
69.03416	3.3
69.07059	2.8
69.96075	9.1
71.04990	2.5
79.05492	4.8
81.07037	8.2
83.05007	2.0
85.02876	4.9
87.35989	1.6
89.67126	1.5
91.05484	2.6
93.06999	12.8
95.04951	11.7
95.08596	5.4
97.06516	4.9
97.18455	1.9
99.04448	3.5
100.88602	1.7
105.07032	6.1
107.04926	10.0
107.08574	16.6
109.06497	2.8
113.06009	2.9
119.08594	4.0
121.06497	4.6
121.10124	15.4
123.04332	1.6
123.08029	2.0
129.04436	1.5
135.08041	2.4
135.11694	6.2
145.10098	8.3
149.09607	3.1
153.01770	2.7
159.15160	1.9
163.11139	28.9
167.10680	4.8
169.08578	21.2
181.12201	16.4
185.11710	2.1
191.10611	9.5
200.50536	1.8
205.04945	2.1
209.11693	13.7
227.12746	100.0
228.13126	3.6
245.13890	3.9
250.87704	1.6
257.39447	1.9
263.08954	2.2
284.71536	1.5
301.07175	2.1
407.10889	2.3
423.57932	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	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.7
56.59981	7.1
65.55323	6.2
68.92793	5.8
69.07005	9.0
71.21119	14.3
72.72787	6.3
81.07028	11.0
83.04961	10.5
83.08611	11.4
85.39394	6.7
88.57494	6.6
91.74106	7.4
91.86981	6.2
93.07065	7.7
95.04961	11.0
95.86298	5.8
107.08585	14.7
109.06508	7.7
109.10186	12.9
117.69762	7.4
119.08562	8.0
121.10121	46.1
147.11705	7.2
151.11192	12.3
153.01857	19.5
163.14798	19.0
167.14259	26.6
191.14267	13.4
198.28233	7.0
209.15352	100.0
227.16333	8.8
240.03264	9.5
283.57104	6.8
299.16962	7.8
317.01205	9.2
402.89038	6.9
425.17804	54.4
435.34235	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	425.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45929	3.4
82.28135	1.0
82.99852	1.3
93.58613	1.0
101.00867	13.5
113.00865	2.7
119.01910	26.4
120.36530	1.1
127.02380	1.7
131.01892	7.1
137.02957	3.3
143.01883	32.3
144.01965	1.6
145.03464	11.9
155.01862	16.1
157.03430	8.4
161.02943	62.1
162.03137	2.9
167.01898	7.7
169.03401	3.2
171.04993	2.4
173.02950	25.4
174.03227	1.0
175.04510	1.8
179.01913	4.7
179.04083	1.3
184.04576	3.1
185.02943	43.5
186.03227	2.6
187.04514	4.8
191.03999	5.8
197.02927	15.7
199.04381	1.3
200.09613	1.1
203.03960	19.6
209.03011	1.5
215.03946	10.7
215.05458	0.9
221.05106	6.2
227.04022	7.4
239.03966	1.8
239.06166	4.8
245.05052	100.0
246.05238	4.5
257.04971	5.2
263.06094	36.6
263.08755	2.4
275.06070	23.0
275.08856	1.7
293.07184	3.2
305.07080	8.1
317.07272	1.8
320.20706	1.2
335.08112	3.3
365.09311	4.1
425.06683	3.6
425.11343	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	425.2317
Annotation	(Z)-omega-Acetoxyferulenol
Peak:m/z	Relative Intensity
53.03937	0.7
55.05500	3.8
57.03417	0.9
57.15118	0.6
65.03927	0.8
67.05165	0.9
67.05496	11.4
68.05812	0.8
69.03404	1.5
69.07040	2.0
70.04543	2.6
70.04923	0.9
71.04967	0.5
74.93198	0.6
79.05486	3.2
81.07040	5.7
83.04947	1.8
83.08603	1.5
91.05457	3.9
93.07027	11.1
95.04970	4.2
95.08593	17.8
96.08912	0.7
97.06504	1.3
97.10154	1.1
99.04413	0.9
105.07028	4.0
107.08600	7.5
109.06506	1.3
109.10141	5.6
111.08062	3.1
115.05437	0.9
117.07028	1.3
119.08547	2.5
121.06483	1.1
121.10136	5.8
123.08059	7.1
123.11678	0.8
128.06236	1.3
129.07002	4.2
131.08560	2.4
133.06422	1.0
133.10083	2.0
135.08023	1.2
135.11699	3.9
137.09579	1.9
139.07538	1.2
141.06973	3.7
141.09085	2.3
143.08540	1.6
145.06480	0.7
145.10077	2.3
147.08063	1.5
147.11644	0.6
149.09590	1.4
149.13268	1.8
154.07751	2.3
155.08551	11.4
157.06490	2.3
157.10071	2.2
159.04411	0.8
159.11659	1.6
163.11156	4.2
163.14809	1.0
169.06436	2.4
169.10107	2.7
171.08054	3.1
171.11650	1.3
173.09534	0.6
173.13277	1.3
175.07468	1.5
177.12712	3.2
178.07657	1.0
179.08534	1.0
181.10109	0.8
182.07222	1.0
183.08034	61.9
184.08420	1.8
185.09613	2.0
191.14268	0.9
193.10056	1.2
195.08009	1.2
195.11592	1.9
195.46982	0.6
197.07771	1.2
197.09599	25.3
203.07053	1.2
205.10147	1.5
207.11646	4.1
208.08775	1.0
209.09608	1.6
211.07559	1.7
211.11157	1.0
213.09099	1.0
215.10632	0.9
217.08571	9.9
219.11757	1.2
220.66319	0.8
221.09641	0.9
223.11140	5.1
225.09082	75.8
225.12704	2.2
226.09476	2.3
227.10712	1.0
229.08601	3.4
233.13345	1.0
235.11136	0.8
237.08992	0.8
237.12773	1.4
241.12234	1.3
243.10146	100.0
244.10532	3.8
247.11148	0.8
249.12657	1.0
250.28250	0.6
251.10664	1.4
251.14186	1.2
253.12247	0.7
255.13811	0.7
257.11673	0.7
261.12839	0.9
263.10583	1.6
264.11557	0.8
265.12222	4.7
266.13049	0.9
267.13763	3.6
269.11682	1.4
273.12622	1.0
277.11960	0.8
279.13785	1.3
281.11523	0.8
283.13162	4.1
285.14819	2.2
293.15277	0.9
297.14948	1.6
309.14420	0.9
311.16464	2.2
329.18906	0.6
333.14877	0.8
343.20447	0.8
347.20184	0.6
353.19052	0.6
361.21527	2.2
371.19958	2.3
379.22580	2.6
389.21118	9.7
407.22119	10.1
408.22604	0.8
425.26511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.232
Annotation	Scoparic Acid C
Peak:m/z	Relative Intensity
55.05494	4.4
56.29422	1.8
58.46469	1.2
64.22578	1.3
67.05506	14.0
68.05834	1.5
69.03419	2.1
69.07047	4.4
71.04954	1.4
79.05467	5.5
81.07046	9.5
83.04964	3.5
83.08598	1.8
86.09702	1.3
91.05465	7.1
93.07039	14.2
95.04953	2.2
95.08602	19.7
97.06514	3.8
97.10159	1.2
99.27708	1.3
105.07001	7.9
107.08586	13.9
109.06499	3.0
109.10156	7.9
111.04433	2.7
111.08042	3.8
117.07008	3.0
119.08557	5.1
121.06459	2.1
121.10155	10.0
123.08046	3.5
128.06221	1.6
129.06927	2.0
131.08524	3.4
133.10091	3.7
135.08011	2.1
135.11705	8.4
137.09567	2.4
139.07486	1.7
141.06976	3.5
141.09158	1.5
143.08522	4.2
145.06412	1.8
145.10051	7.4
147.08107	1.6
147.11650	3.4
149.09581	1.2
153.06987	2.5
153.12706	1.3
154.07742	1.8
155.08519	3.7
157.10124	5.0
159.07979	2.7
159.11636	2.3
161.09467	1.7
163.11139	4.8
165.06937	8.7
166.07779	12.4
167.07199	1.9
167.08551	16.3
169.10098	7.5
171.08070	3.1
173.13220	1.2
179.08546	10.0
179.10010	1.5
179.10721	1.2
180.09311	2.5
181.10101	100.0
182.07207	2.4
182.10483	3.4
183.07993	3.7
183.11696	4.5
193.10112	14.5
195.11676	15.6
197.09598	81.5
198.09901	3.2
199.11241	1.4
206.10912	1.8
207.08070	3.1
207.11655	6.2
209.13258	3.2
211.11111	3.3
219.11646	2.8
221.13235	7.1
223.11226	2.0
223.14763	5.7
225.09082	68.3
225.12558	2.2
226.09488	1.5
227.14250	1.4
229.18602	1.3
233.13200	2.6
235.11232	1.3
237.12697	1.8
239.10667	3.1
247.14708	2.3
249.16425	1.5
251.14352	1.5
263.17914	2.0
265.12192	2.6
284.17191	3.9
295.25375	1.2
340.23447	2.8
343.20377	2.8
345.22147	2.7
361.21591	5.7
363.23242	2.5
371.19943	4.6
379.22650	18.6
389.21069	6.3
389.39142	1.3
407.22067	34.2
408.22174	2.2
425.26843	4.6
425.33115	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2681
Annotation	Chabrolobenzoquinone A
Peak:m/z	Relative Intensity
51.02370	1.8
53.03925	4.1
55.01849	2.1
55.05502	15.1
57.03429	2.0
63.06993	1.6
65.03919	3.0
67.05498	39.9
69.03413	3.1
69.07053	9.1
70.57346	5.6
71.04965	4.1
71.77429	1.6
72.41785	1.7
79.05483	27.8
81.07050	46.1
83.04969	16.7
83.08600	4.8
85.02885	3.0
85.06506	2.8
91.05469	42.7
93.06469	3.5
93.07034	59.9
95.04965	9.1
95.08595	80.9
95.52361	2.0
96.08921	2.9
97.06507	7.2
97.10153	3.2
99.04435	4.8
103.05466	2.6
105.04445	1.9
105.07018	60.7
107.08585	45.7
109.06509	10.5
109.10136	26.0
111.04414	9.8
111.08066	11.3
113.06018	4.1
115.05455	4.6
117.07006	23.5
119.08568	54.5
121.06486	10.0
121.10117	29.5
122.10481	1.8
123.08054	17.5
123.11685	9.8
125.05926	2.5
125.09610	2.5
127.07523	2.6
128.06227	10.7
129.07002	20.8
130.07805	3.5
131.08551	65.1
133.06476	4.2
133.10110	47.6
135.08038	9.7
135.11665	15.0
137.05931	4.6
137.09584	5.7
137.13240	1.9
139.07547	10.3
141.06960	12.5
141.09113	7.2
142.07718	15.5
143.08545	55.0
144.09352	3.5
145.06470	5.8
145.10100	69.5
147.08003	7.8
147.11656	24.7
149.09605	8.9
149.13213	5.6
151.07507	2.8
151.11108	2.7
153.06999	4.6
153.09079	5.2
154.07726	4.7
155.08534	26.8
155.10547	2.7
156.09354	9.9
157.10112	58.2
158.07156	1.7
159.08047	12.1
159.11674	29.1
161.09615	16.5
161.13245	9.9
163.07555	6.9
163.11156	5.9
163.14792	3.0
165.07013	3.8
165.09114	3.2
167.07156	2.4
167.08588	7.7
167.10704	6.1
168.09428	4.0
169.08699	3.7
169.10098	38.3
169.11517	2.5
170.10826	4.8
171.08018	6.4
171.11678	36.0
173.09589	19.3
173.13245	14.1
175.11154	9.0
175.14821	4.8
177.09119	8.7
179.08549	5.2
179.10655	6.5
180.09140	2.1
181.10100	13.6
181.12160	2.6
182.10985	4.0
183.08104	2.2
183.11671	31.6
184.12256	3.1
185.09633	11.4
185.13223	16.0
186.10378	1.8
187.11203	18.2
187.14803	6.1
189.09029	3.1
189.12660	10.0
189.16353	2.5
191.10661	19.6
192.09238	1.9
193.10117	6.7
193.12210	5.6
195.08009	2.2
195.11656	15.0
196.12526	3.7
197.09608	4.1
197.13261	25.4
199.11269	8.5
199.14833	9.1
201.12712	10.1
201.16327	2.0
203.10637	20.5
203.14278	3.3
205.10283	3.4
205.12160	15.1
207.11641	12.7
207.13722	4.4
209.13220	13.6
210.13931	2.6
211.11189	8.9
211.14824	11.9
213.12755	9.8
213.16257	5.0
215.10655	12.0
215.14333	4.9
217.12155	11.4
219.11641	4.7
219.13788	10.5
220.12283	1.8
221.13226	8.5
221.15219	3.4
223.11235	2.5
223.14839	13.7
224.15204	2.0
225.12697	7.5
225.16313	17.0
227.14247	4.4
227.17976	2.6
229.12210	9.2
231.13808	8.9
233.13191	4.0
233.15431	4.7
235.14812	4.6
237.12668	3.8
237.16290	5.1
239.14267	6.8
239.17961	7.0
241.15887	3.1
243.13756	8.9
245.15302	6.9
247.14719	4.0
247.17027	2.0
249.16345	15.8
251.14284	5.6
251.17842	5.3
253.15976	4.0
253.19493	4.1
257.15408	11.6
259.17004	4.7
261.16193	1.8
263.17795	2.0
265.15897	6.3
265.19418	2.9
267.17398	18.2
269.15393	2.8
269.18814	2.5
271.16931	6.4
273.18436	5.4
279.17441	3.5
283.16904	4.4
284.17606	3.0
285.18439	52.6
287.20053	7.3
291.17456	2.2
293.18863	5.5
297.18542	5.1
305.19235	2.3
309.18317	1.9
311.19824	9.4
323.20212	2.4
325.21591	6.6
326.22385	7.1
333.22104	5.5
351.22992	4.7
361.25180	8.8
365.24625	2.4
371.23410	8.9
379.26257	13.4
389.24701	29.4
390.25223	1.8
407.25745	39.9
425.26788	100.0
426.27237	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.268
Annotation	Sargaquinoic acid
Peak:m/z	Relative Intensity
53.03930	3.5
53.38749	3.9
55.05509	17.2
61.75917	3.1
67.05499	58.2
69.07048	13.3
69.89523	20.3
71.04961	6.8
77.86010	3.5
79.02016	3.4
79.05487	28.7
81.07050	53.0
83.04964	16.0
83.08598	7.0
85.02900	4.3
91.05470	46.7
92.05833	5.1
93.07033	63.4
95.04946	12.3
95.08598	76.9
97.06493	7.1
97.10165	4.4
98.20762	4.2
105.07030	59.5
107.08589	46.2
109.06512	8.8
109.10136	27.4
111.04465	4.9
111.08050	9.6
113.06015	4.4
115.05399	5.6
117.07001	22.5
119.08572	56.6
121.06466	11.9
121.10139	28.2
123.08077	19.0
123.11668	13.2
128.06229	7.4
129.07013	20.9
130.07701	6.6
131.08554	61.3
133.10115	44.9
135.08067	9.9
135.11658	11.7
137.09622	4.8
139.07523	3.5
141.06972	9.9
141.09187	3.9
142.07758	10.5
143.08540	48.2
144.09421	4.3
145.06413	10.0
145.10118	58.7
147.08052	8.1
147.11710	19.3
149.09610	7.5
149.13246	7.2
151.11098	4.6
153.06903	5.0
155.08557	27.0
156.09335	7.7
156.97836	3.5
157.10124	48.5
159.08031	11.9
159.11674	31.8
161.09596	16.3
161.13249	8.4
163.07477	4.6
163.11147	4.9
163.14861	6.7
167.08540	4.8
169.10088	35.1
171.07985	4.1
171.11691	32.7
173.09581	15.4
173.13226	15.3
175.11150	8.4
175.14784	3.8
177.09128	4.3
179.08539	5.4
179.10646	6.4
181.10049	11.5
182.10867	7.1
183.11716	29.9
185.09593	9.2
185.13274	18.5
187.11145	13.9
189.12718	8.7
189.16373	3.9
191.10631	13.2
192.09251	4.4
193.10156	7.0
193.12170	6.8
195.11694	16.9
197.13225	21.5
199.11205	8.1
201.12730	8.8
203.10655	12.3
205.12221	10.2
207.11749	7.0
207.13721	4.3
209.13177	5.4
211.11307	7.8
211.14786	11.9
213.12793	10.0
215.10626	7.8
215.14371	4.2
217.12231	10.2
219.13719	9.5
221.13181	5.3
223.14752	13.5
225.12769	8.7
225.16350	12.4
226.70876	3.9
227.14267	6.4
229.12166	10.9
231.13882	8.8
235.14893	4.1
237.12695	4.2
239.14359	7.0
239.17911	5.0
241.15891	5.4
243.13811	7.7
245.15416	8.7
247.16995	5.6
249.16388	13.6
251.17964	4.2
253.19521	4.9
257.15369	11.4
265.15839	5.9
267.17422	19.5
271.17041	6.6
284.17902	5.9
285.18451	47.5
287.20151	4.9
293.18985	9.9
305.18860	4.5
305.76410	3.7
306.23135	3.9
307.20834	4.4
311.20038	7.9
318.66492	4.0
325.21570	3.9
326.22223	6.5
361.25107	5.7
371.23593	9.9
379.26331	11.8
389.24683	24.9
407.25754	23.6
425.26889	100.0
426.27280	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	425.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53796	4.0
55.05495	20.8
55.05755	3.7
57.07060	5.2
57.37735	4.3
58.62028	4.1
62.04617	4.0
67.05502	29.3
69.07052	18.4
71.54023	8.7
71.54396	4.8
79.05464	20.0
81.07051	60.1
83.08587	11.6
91.05493	24.1
93.07031	66.6
94.07340	5.2
95.08601	93.6
97.06503	9.3
97.10162	7.1
105.07024	56.4
107.08584	100.0
109.10147	59.5
114.14497	4.4
117.06956	6.9
119.08572	79.5
121.10122	70.7
123.11683	17.4
131.08530	17.4
133.10109	64.9
135.08052	7.2
135.11664	38.9
137.13235	6.7
143.08545	6.2
145.10121	24.9
147.11661	39.6
149.13217	24.7
153.09102	7.2
157.10071	8.8
159.11674	24.4
161.09619	9.2
161.13266	28.0
161.49110	4.5
163.14809	11.1
167.10649	11.5
171.11658	11.2
173.13246	20.4
175.14793	22.2
177.16367	11.5
179.10654	5.3
185.13246	10.6
187.14832	18.2
189.16362	39.8
195.13799	7.7
199.14772	5.7
201.16356	20.6
203.18021	26.6
213.16431	6.7
215.17932	6.1
217.15988	5.3
221.15349	9.5
223.16869	6.9
229.19466	8.1
235.16910	8.8
279.13150	4.7
343.26199	22.7
355.26239	17.2
405.59000	4.7
425.33984	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3406
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03925	4.2
54.68664	3.1
55.05511	16.8
57.07076	4.7
57.90586	3.0
60.92234	3.2
67.05505	32.9
69.07061	23.9
70.15800	3.8
71.45114	5.8
78.59399	3.3
79.05486	26.6
80.95371	3.2
81.07050	63.1
83.08609	16.4
91.05465	31.1
93.07031	69.8
95.08594	100.0
97.10180	7.9
105.07012	53.5
107.08582	98.9
109.06458	3.9
109.10146	71.2
117.07021	8.0
119.08569	89.7
121.06516	4.7
121.10133	76.1
123.11689	19.7
131.08585	18.5
133.10118	57.1
135.08026	8.5
135.11674	34.0
137.13246	6.0
143.08516	9.3
145.10114	27.4
147.08025	5.8
147.11664	29.9
149.09563	4.8
149.13232	16.8
151.07475	3.4
153.09076	11.4
157.10143	7.7
159.11658	24.9
161.09576	9.9
161.13208	28.2
163.11159	4.8
163.14793	13.7
165.09149	10.5
167.10719	5.8
171.11638	5.5
173.09729	4.0
173.13223	21.5
175.11182	7.3
175.14809	20.8
177.09171	5.4
177.16350	19.3
177.53214	3.1
179.10689	7.1
181.12169	5.9
185.13179	8.6
187.14830	20.1
189.16367	51.0
191.10663	3.6
191.17871	10.3
195.13800	6.9
199.14696	5.8
201.16371	12.4
202.36841	3.1
203.10620	7.5
203.14532	3.6
203.18002	22.9
205.12326	5.1
205.15871	4.7
209.15402	8.1
213.16370	4.3
215.17961	11.7
217.19467	4.9
221.15309	18.6
229.19373	4.0
233.15384	6.4
235.16954	13.3
239.18127	3.2
247.17029	9.9
249.18687	3.7
261.18570	4.7
287.19974	4.4
299.20047	4.0
301.21558	4.2
343.26279	42.1
345.09760	9.0
348.39886	3.7
355.26306	34.5
356.26398	3.4
393.39819	3.6
425.34045	97.3
426.34576	7.1
433.98779	3.5
443.02591	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05497	14.2
57.07056	7.5
65.03920	3.5
67.05502	27.3
69.07059	34.7
69.49891	4.6
69.50299	22.9
72.77438	3.4
79.05479	17.9
81.07041	64.3
83.08618	13.0
91.05461	19.0
93.07029	43.8
95.04976	8.4
95.08590	100.0
97.10155	9.5
99.42835	3.2
102.04707	3.5
105.07018	35.5
107.08588	64.8
107.09301	6.4
109.10140	72.4
111.11657	8.2
115.17745	3.4
117.06956	3.8
119.08574	44.2
121.10120	63.7
123.11703	24.0
131.08582	8.9
133.10091	35.7
135.11687	36.4
137.13243	7.8
143.08617	5.2
145.10109	17.1
147.11673	34.4
149.13245	35.2
159.11687	19.0
161.13210	33.5
163.14796	26.2
165.12700	3.9
171.11664	6.6
173.13223	10.5
175.14767	23.0
177.16400	9.4
187.14825	11.2
189.16325	19.7
191.17932	43.8
201.16425	11.8
203.17908	19.0
205.15933	3.7
205.19566	11.5
207.17444	4.4
215.17998	10.0
217.19463	22.3
219.17404	5.2
219.21094	5.9
227.17987	4.5
229.19511	7.0
231.21078	4.4
233.19040	13.3
241.19353	3.7
245.22687	6.7
247.20386	4.1
257.22614	3.8
268.97629	3.1
269.22357	3.8
271.24219	6.8
295.24225	4.5
315.26611	3.9
321.33276	3.6
330.98514	3.9
357.51993	3.5
407.36670	18.7
425.37857	77.3
426.38144	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.54628	2.2
55.05503	17.5
57.03436	2.9
57.07054	10.9
67.05495	26.2
68.51608	2.6
68.75751	2.6
69.07059	37.0
71.08607	8.6
77.09892	2.7
79.05485	22.5
81.07043	71.2
83.08609	16.1
85.10107	3.2
90.12303	2.5
91.05446	16.6
93.07031	43.0
94.82687	2.5
95.08592	100.0
97.06484	3.0
97.10148	10.1
98.20778	7.2
105.07009	41.5
107.08575	65.8
108.08915	2.8
109.06497	3.9
109.10142	74.3
110.10488	2.5
111.08076	3.9
111.11695	7.4
113.14875	2.3
117.07024	6.0
119.08559	45.2
121.10126	45.4
123.08020	3.4
123.11684	38.5
125.00087	3.0
131.08548	10.3
133.10118	32.4
135.11665	40.0
137.13216	10.3
143.08530	5.3
145.10100	16.0
147.11655	37.9
149.13232	41.8
151.14783	3.3
157.10135	7.8
159.11716	15.3
161.13211	35.1
163.14796	31.5
165.12703	12.4
171.11697	9.2
173.13260	17.5
175.14787	30.9
177.16399	15.9
179.14310	7.0
184.07387	4.1
185.13199	5.6
187.14772	24.6
189.16364	19.2
191.17883	10.0
199.14816	3.8
201.16386	12.3
203.17934	19.0
205.15887	7.4
205.19542	8.0
207.17400	7.5
213.16270	3.5
215.17934	9.6
217.19557	13.2
219.17455	8.5
219.20937	6.0
227.17999	3.9
229.19475	5.8
231.21043	3.7
233.18987	9.8
245.18872	4.9
245.22760	3.3
255.20934	3.6
257.18759	3.2
259.23956	4.9
269.22559	4.4
271.24164	3.5
287.23810	2.8
301.25558	2.9
313.25214	5.1
367.33588	7.0
406.96793	3.0
407.36761	31.5
408.37326	3.5
425.37747	97.5
426.38098	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	427.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
57.04534	0.6
59.06085	0.2
60.28130	0.2
63.75344	0.1
65.78224	0.2
67.05479	0.2
69.03403	0.3
70.06564	0.3
71.53794	0.3
73.02888	0.2
79.05444	0.2
81.07018	0.3
85.02876	0.3
87.04415	0.2
91.05451	0.3
93.07066	0.2
94.04037	1.1
96.05629	0.2
97.02889	0.2
107.04936	0.2
108.47459	0.2
116.35608	0.2
119.04901	0.5
123.04401	0.5
123.06628	0.9
133.05055	0.4
139.03874	0.2
147.04361	1.4
148.06133	0.2
150.07724	100.0
151.08221	1.1
158.53685	0.2
158.97404	0.3
163.03877	0.7
164.04192	0.3
193.13429	0.2
195.76361	0.2
203.12613	0.3
224.44957	0.2
234.98965	0.7
282.12009	0.7
295.11459	18.0
296.11783	0.4
337.03577	0.5
427.19525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.196
Annotation	Lactuside A
Peak:m/z	Relative Intensity
53.03947	0.3
55.01852	0.4
55.05489	1.0
56.96542	0.8
57.07059	0.3
59.04985	0.5
61.14433	0.2
62.00259	0.3
67.05482	0.9
69.03414	1.7
69.07043	0.6
69.82344	1.7
77.88107	0.2
79.05494	1.4
79.90904	0.3
81.03413	0.3
81.07034	1.4
83.04973	9.3
84.05342	0.3
85.02884	1.0
85.06512	0.5
91.05479	1.4
93.07038	2.2
95.08572	0.8
97.02859	0.6
99.04442	0.3
105.07011	1.2
107.04961	0.7
107.08578	7.7
109.06492	0.8
109.10129	0.6
111.08065	0.3
111.84798	0.3
117.07001	1.0
119.08540	1.2
121.06487	2.1
121.10118	1.1
123.08013	0.5
127.03902	0.3
129.06926	0.6
131.08508	1.5
131.68649	0.3
133.10088	0.9
135.08037	25.0
136.08342	0.7
137.05956	0.3
137.09592	0.9
139.03830	0.5
139.07500	0.3
143.08534	0.3
145.06438	0.7
145.10097	1.0
147.08029	0.6
149.05949	1.2
149.09647	0.6
149.13231	0.4
151.07518	1.2
153.09074	0.4
157.10086	0.4
158.10887	0.4
159.08028	1.4
159.11670	1.7
160.08795	2.5
161.05905	0.3
161.09589	1.9
163.07521	10.0
163.11147	1.4
165.09103	0.3
167.07021	1.6
172.08821	1.2
173.09579	0.5
173.13213	1.8
177.09009	0.5
177.12711	1.0
181.08597	0.5
183.11659	0.4
185.73256	0.3
187.11162	7.0
189.09099	0.7
189.12776	0.4
191.07040	0.5
191.14262	0.6
198.06752	0.4
201.12697	2.3
205.12236	2.0
213.09106	0.7
213.12737	0.5
219.13795	6.1
225.09264	0.3
229.12125	0.7
231.13693	0.5
237.33374	0.3
239.09438	2.6
247.13239	4.3
257.10611	2.3
265.14316	100.0
266.14661	4.0
270.02844	0.3
283.08469	2.2
284.48648	0.3
301.09448	0.5
340.07858	0.3
355.11560	0.3
384.15552	0.5
427.13217	0.9
427.18903	2.7
427.27121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1963
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
53.03947	10.0
55.05487	13.1
57.07823	9.9
58.72968	10.1
69.03423	20.2
70.06599	22.2
71.11893	19.8
72.08147	9.5
79.05494	16.9
81.03418	11.1
81.07073	12.0
83.04977	16.1
85.02876	14.7
91.05461	30.0
93.07033	34.0
95.04952	9.3
95.08573	14.9
100.11234	16.1
100.22838	9.3
105.07018	17.2
107.04928	17.3
107.08571	30.2
109.02885	14.1
109.06490	10.3
111.04445	10.0
115.05527	10.5
119.08580	19.9
121.06505	27.9
123.08000	10.7
131.08543	19.8
133.61070	9.9
135.08014	38.4
145.10046	11.5
149.09610	23.2
153.06976	11.2
159.08156	10.5
159.11649	15.7
163.07553	20.8
167.07039	24.5
173.09616	18.3
173.13187	32.6
185.02486	9.4
185.09622	17.9
187.11177	42.1
191.07089	12.7
198.06715	13.7
201.12735	21.5
205.12288	21.2
210.14500	9.1
213.09171	14.4
213.28813	11.4
215.06750	9.8
219.13712	17.0
229.12267	52.5
243.10065	10.8
247.13249	100.0
258.67017	9.4
323.09177	17.3
337.10638	14.3
338.11716	13.6
355.11810	16.3
384.15704	98.7
396.15472	12.7
409.16382	38.8
427.18033	47.5
447.62207	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	427.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
62.40858	0.5
67.05493	0.6
69.03417	0.6
69.07060	7.4
71.54521	0.8
73.06539	2.2
79.05504	0.4
81.07039	0.7
83.05003	0.5
83.08609	0.5
86.09698	100.0
87.10033	1.0
91.05461	0.6
93.07027	1.6
95.08614	1.0
105.07028	0.6
107.08537	0.7
107.81326	0.4
112.07581	1.2
115.38146	0.5
119.08569	0.7
121.10114	0.8
133.10080	0.5
135.11633	0.6
136.06346	0.5
167.07002	1.8
168.07416	0.6
168.13747	0.7
169.07558	0.6
186.14877	72.3
187.15224	1.2
205.12233	0.4
214.14372	26.2
215.14497	0.5
314.19577	10.2
315.19739	0.5
399.23712	0.6
399.28525	5.9
427.27350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24027	7.9
53.50513	7.9
55.05509	18.7
57.03415	10.5
57.07064	9.2
59.64339	7.8
60.94445	8.4
67.05495	44.8
69.07060	13.0
71.56989	14.1
79.05488	37.1
81.07041	47.8
82.64407	8.5
83.04974	19.5
83.08588	11.5
88.68165	9.1
91.05473	51.4
93.07027	73.6
95.04955	9.4
95.08583	100.0
97.06517	14.5
105.07030	70.4
107.08595	66.9
109.06523	15.5
109.10145	32.8
111.04434	8.1
117.06992	17.9
119.08586	65.9
121.06494	12.3
121.10151	38.8
123.08103	15.9
123.11657	9.9
129.07050	8.8
131.08540	41.6
133.10088	53.9
133.66283	9.8
135.08072	9.2
135.11700	25.4
143.08615	21.2
145.10114	31.8
147.11630	57.7
147.14137	8.8
149.09723	12.4
155.08583	10.4
157.10080	43.9
159.11684	39.9
161.09567	15.2
169.10127	8.7
171.11693	26.0
173.13277	21.4
175.11206	38.1
176.11540	11.8
183.11792	10.8
185.13327	14.6
187.14825	9.8
189.12706	11.4
193.12320	8.7
201.12819	12.2
205.12082	9.1
207.13669	11.1
213.12706	15.1
213.16269	12.5
215.14394	13.8
231.13953	8.6
233.15318	12.9
245.15384	10.6
269.19043	15.3
287.20041	31.7
326.21942	11.8
381.27893	12.8
382.28244	12.9
391.26294	28.5
409.27341	35.2
427.11978	11.8
427.28101	59.9
429.64810	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	427.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72369	0.5
53.03939	1.1
55.05508	5.5
56.75283	0.5
57.07058	1.3
57.20937	0.5
67.01852	1.7
67.05492	7.5
69.03409	0.6
69.06712	0.7
69.07059	11.1
70.60235	1.7
70.60582	0.5
71.08620	0.9
79.05482	3.5
81.03383	0.6
81.07046	22.4
83.04975	0.9
83.08615	5.6
85.02923	0.6
90.84990	0.5
91.05450	3.6
93.07030	11.5
94.54726	0.5
95.04957	1.4
95.08595	18.1
97.10143	2.8
98.71353	0.4
105.06998	2.1
107.08589	4.5
109.06503	1.5
109.10145	11.1
111.04400	0.6
111.08081	0.8
111.11699	1.8
119.08582	1.9
121.06473	2.8
121.10124	3.1
123.04429	0.5
123.08009	0.7
123.11691	7.4
131.08618	0.8
135.08063	0.9
135.11702	2.8
137.05980	2.6
137.09579	0.7
137.13237	4.9
139.07526	5.4
141.05400	1.6
145.10118	0.5
147.07959	0.6
147.11661	0.6
149.05965	5.6
149.13240	1.9
151.07524	5.2
151.14781	1.1
153.05424	0.6
161.05945	1.2
163.07481	0.5
163.14876	0.8
165.05466	5.1
165.09094	2.0
167.07018	100.0
168.07365	1.7
175.07504	0.8
179.07018	1.4
179.10748	0.6
181.08539	1.4
189.09073	1.8
191.07013	2.2
191.10687	0.9
191.17937	1.0
193.08571	1.3
203.10648	1.5
205.08571	2.7
207.10115	4.0
215.10680	0.8
219.10208	1.4
220.57545	0.5
221.11676	1.5
229.12299	0.5
233.11736	1.6
235.13405	0.7
247.13167	0.7
331.22653	0.7
427.19629	0.6
427.31836	4.3
427.36084	0.5
428.32578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01853	0.4
55.05503	6.0
57.03417	0.5
57.07075	1.7
65.03932	0.5
67.01840	1.6
67.05495	11.6
69.03409	0.6
69.07063	12.2
70.00687	1.2
71.08612	0.8
77.03917	0.4
79.05035	0.4
79.05482	4.4
81.03399	0.9
81.07047	27.3
82.07359	0.3
83.01316	0.4
83.04951	1.1
83.08607	4.7
85.02883	0.5
85.10210	0.4
91.05470	3.7
93.06451	0.6
93.07034	11.7
94.07364	0.4
95.04950	1.1
95.08595	22.9
96.08963	0.3
97.02886	0.3
97.10169	3.4
98.21491	0.4
105.06996	2.0
107.08581	5.0
109.06509	1.7
109.10143	14.4
111.04437	0.4
111.08038	0.8
111.11702	2.0
117.06994	0.7
119.04894	0.4
119.08578	2.8
121.06499	2.9
121.10118	2.9
123.08037	1.2
123.11697	6.2
124.05209	0.4
125.05923	0.4
131.08614	0.7
133.06517	0.4
133.10112	1.5
135.08063	1.5
135.11691	2.7
137.05972	3.9
137.09592	0.4
137.13243	5.0
139.03908	0.4
139.07527	5.2
141.05460	1.2
142.07791	0.3
143.08548	0.8
145.10074	1.1
147.07979	0.9
147.11667	0.9
149.05957	6.4
149.09615	0.6
149.13216	2.7
151.07523	9.3
151.14839	1.4
153.05469	0.7
157.10132	0.6
159.08058	1.0
159.11662	0.6
161.05984	1.2
161.09598	0.8
163.07458	0.8
163.14813	1.1
165.05469	4.7
165.09137	2.1
165.16388	0.7
167.07021	100.0
168.07365	2.1
171.11609	0.3
172.08708	0.3
173.09619	0.5
174.06790	0.4
175.07581	1.6
175.11115	0.8
175.14720	0.4
177.05449	0.7
177.09122	1.8
177.12874	0.3
177.16389	0.6
179.07051	1.2
179.10652	1.0
179.17903	0.3
181.08546	1.8
185.09587	0.7
187.07593	0.5
187.11195	0.6
188.08344	0.6
189.09081	3.5
189.12784	0.4
191.07018	2.1
191.10664	1.1
191.17926	0.6
192.07906	0.3
193.08589	2.4
199.11246	0.5
201.09094	0.9
203.10706	2.5
203.12447	0.4
205.08623	3.1
205.12216	1.0
205.19485	0.8
207.10155	4.3
215.10701	1.2
217.12260	1.3
219.10170	1.5
219.13725	0.3
221.11758	1.5
229.12140	0.4
231.10121	0.4
231.13820	0.6
233.11746	1.9
235.13316	0.6
245.11610	0.4
247.13297	1.0
247.24347	0.4
255.16151	0.5
261.14978	0.5
261.25839	0.8
261.29755	0.3
270.39001	0.3
273.25726	0.5
273.44394	0.3
277.17715	0.3
324.32501	0.8
345.24033	0.4
409.30890	0.9
427.19879	0.8
427.32068	9.9
428.32608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05505	4.1
57.07066	2.2
65.03935	0.5
66.06813	0.4
67.01861	1.7
67.05494	9.1
69.06702	0.7
69.07057	10.7
69.24032	4.7
79.05473	3.1
81.03392	0.4
81.07047	21.3
82.07358	0.4
83.04967	1.1
83.08608	4.1
84.49611	0.4
85.02877	0.8
91.05455	3.5
92.48286	0.4
93.07037	11.3
95.04950	1.0
95.08591	15.9
96.08930	0.5
97.10161	2.7
105.04523	0.6
105.07021	2.3
107.08571	3.5
109.06484	1.0
109.10141	10.3
111.08059	0.6
111.11686	1.5
113.08575	0.4
119.08556	1.9
121.06498	2.6
121.10104	3.0
123.08049	0.8
123.11700	4.9
124.05213	0.5
125.13213	0.4
131.08525	0.5
133.10118	0.9
135.08008	1.1
135.11679	3.0
137.05940	2.8
137.13216	4.3
137.40590	0.4
139.07527	5.4
141.05476	0.8
143.08517	0.5
145.10042	0.6
147.11682	0.9
149.04863	0.7
149.05954	6.2
149.09563	0.5
149.13225	2.1
151.07515	4.8
151.14777	0.7
153.05455	0.8
159.07964	0.4
159.11682	0.5
161.05942	0.9
161.13292	0.7
163.07576	0.6
163.14810	0.7
165.05447	5.0
165.09116	1.6
167.07014	100.0
168.07352	2.8
171.11612	0.6
173.09627	0.6
175.07550	1.0
177.05466	0.6
177.09129	0.9
177.16431	0.5
179.07013	0.8
181.08607	1.5
189.09084	1.7
189.12718	0.4
191.06990	1.6
191.17786	0.7
192.07678	0.6
193.08542	1.2
193.12370	0.4
203.10728	0.7
205.08662	2.1
205.12125	0.7
205.19493	0.5
207.10138	4.0
215.10605	1.1
217.12344	0.5
219.10143	1.4
221.11678	1.2
229.12317	0.7
233.11679	1.7
247.13301	1.2
253.96066	0.5
261.25763	0.5
308.24182	0.4
409.31042	0.4
427.31723	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	427.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89290	0.8
55.05489	4.0
56.98772	0.9
57.07048	1.7
67.01842	1.9
67.05502	6.3
69.07053	9.9
69.52426	7.5
79.05475	2.2
81.07050	19.8
83.08585	4.0
90.71322	0.9
91.05465	2.6
93.07036	9.7
95.08583	12.9
97.10168	2.1
107.08588	2.9
108.03992	0.9
109.10145	9.5
119.08602	1.3
121.06476	2.6
121.10114	2.2
123.11704	5.2
133.10107	1.3
135.11644	2.9
137.05983	2.3
137.13242	3.8
139.07504	5.2
149.05962	5.0
149.13222	1.2
151.07500	3.5
153.05423	2.0
161.05966	1.5
161.09615	1.0
165.05446	6.1
167.07021	100.0
168.07266	1.4
181.08553	1.2
189.09070	1.7
191.07077	1.0
193.08601	1.9
205.08597	1.4
207.10143	3.3
219.10152	1.2
233.11591	1.8
261.25623	1.2
273.14542	1.1
394.62317	0.9
427.32074	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	427.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01855	0.4
55.05258	0.4
55.05504	5.5
57.03412	0.4
57.07066	2.7
59.26511	0.3
65.03910	0.6
67.01851	1.8
67.05160	0.5
67.05497	9.6
69.03424	0.6
69.07059	12.6
71.08604	1.0
71.13610	0.7
79.05486	4.0
81.03400	0.4
81.07049	29.3
82.07384	0.5
83.04954	0.8
83.08605	4.7
85.02880	0.8
91.05467	3.3
93.07036	12.0
94.59061	0.2
95.04945	1.1
95.08595	28.3
96.08914	0.7
97.10158	3.2
105.06998	2.2
107.08590	4.0
109.06486	1.2
109.10141	15.4
110.10473	0.4
111.08096	0.7
111.11697	1.9
111.34564	0.2
117.06985	0.5
119.04930	0.3
119.08548	2.1
121.06496	2.9
121.10132	3.3
123.04464	0.4
123.08038	0.8
123.11694	8.7
125.13264	0.8
131.08521	0.4
133.06554	0.3
133.10118	1.1
135.08044	0.9
135.11674	2.4
137.05986	3.3
137.13232	9.4
138.13550	0.5
139.03880	0.6
139.07510	5.3
141.05443	1.7
143.08524	0.4
145.10104	0.5
147.08043	0.7
147.11656	0.8
149.05969	5.5
149.09521	0.3
149.13278	1.9
151.07535	7.2
151.14836	1.7
153.05424	0.8
155.08472	0.3
157.10078	0.6
159.08058	0.9
159.11684	0.7
161.05991	1.0
161.09650	0.8
161.13167	0.3
163.07526	0.4
163.11171	0.3
163.14812	1.1
165.05455	4.4
165.06834	0.3
165.09079	2.3
165.16359	0.6
167.07021	100.0
168.07387	2.6
173.09641	0.4
175.07509	1.1
175.11171	0.5
176.08293	0.3
177.05502	0.4
177.09096	1.2
177.16364	0.8
178.06245	0.4
179.07030	1.4
179.10649	0.4
179.17902	0.3
181.08604	2.5
187.07529	0.4
187.11206	0.5
189.09044	1.8
189.12735	0.3
191.07021	2.2
191.10628	0.9
191.17957	0.5
193.08568	2.3
193.19548	0.4
195.10054	0.3
201.09120	0.7
203.10643	1.2
205.08582	3.3
205.12250	1.1
205.19525	1.0
207.10146	4.9
215.10725	1.2
217.12222	0.3
219.10043	1.4
221.11671	1.4
229.12164	0.6
231.13837	0.4
233.11682	2.0
235.13309	0.4
245.11676	0.4
245.15526	0.3
247.13338	1.2
247.24170	0.4
261.25790	0.8
273.25671	0.4
275.16196	0.4
289.17969	0.4
291.19717	0.4
303.19598	0.4
317.20978	0.3
331.22693	0.4
345.24069	0.5
346.80823	0.3
371.25989	0.4
409.30981	0.6
414.20477	0.3
427.26736	0.7
427.32031	6.3
428.32288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3928
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03928	3.4
55.01861	1.5
55.05503	16.8
56.13677	1.6
57.07067	11.0
64.73878	1.2
65.03946	1.2
66.04766	1.1
67.05163	1.7
67.05495	25.4
69.03410	2.8
69.07056	43.9
70.58089	3.9
70.58455	1.4
71.04968	3.1
71.08602	3.8
79.05051	1.5
79.05482	18.8
81.03399	4.8
81.07045	100.0
82.07349	1.7
83.04964	2.0
83.08607	21.7
85.02894	1.3
85.06532	1.3
91.05456	10.1
93.07028	33.6
95.04929	4.4
95.08592	92.8
96.08884	1.9
97.02890	1.9
97.06502	2.5
97.10156	11.5
99.08096	1.3
105.07018	20.0
107.07842	2.7
107.08576	52.1
109.06477	2.6
109.10137	70.6
111.04409	1.3
111.08056	2.6
111.11703	7.6
113.09615	2.1
117.06993	1.6
119.08556	24.3
119.09346	2.2
121.06481	1.4
121.09294	2.4
121.10126	35.5
123.08083	2.5
123.11691	45.1
125.09597	3.4
125.13259	1.7
131.08557	4.2
133.10109	19.1
135.08043	1.5
135.11664	29.4
137.13246	19.8
139.11168	2.4
143.08517	1.8
143.44112	1.4
145.10115	7.1
145.86844	1.1
147.11659	15.2
149.05911	1.2
149.13237	23.7
151.07527	15.4
151.11134	3.5
151.14786	8.1
153.12813	2.0
159.11690	8.2
159.12813	1.3
161.13210	15.0
163.07454	1.3
163.14816	16.4
165.12790	1.7
165.16447	2.0
167.06999	23.8
171.11626	1.5
173.13245	3.8
175.14783	7.7
177.09055	1.9
177.16360	13.4
179.18033	1.5
187.14822	4.2
189.16362	8.4
191.10657	4.6
191.17885	7.9
193.15906	1.2
193.19545	1.6
201.16353	3.2
203.17938	9.3
205.12233	2.6
205.19463	4.9
207.13783	2.6
207.17477	2.1
215.17908	5.3
217.19476	6.2
219.21078	2.9
231.21034	4.1
233.22548	2.7
237.42787	1.4
245.22676	2.4
256.03467	1.2
257.22598	2.1
259.24402	1.6
261.14957	1.5
271.24207	2.7
273.25711	2.4
285.25769	3.2
289.14359	1.9
299.27298	1.3
303.26660	2.0
307.15454	2.4
313.28900	1.7
325.16391	1.7
345.31723	2.1
409.38239	13.8
410.38873	1.9
427.19522	8.1
427.33316	2.6
427.39325	45.0
428.39630	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	429.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04131	0.3
63.31232	0.3
67.05524	0.3
69.47221	1.7
69.47638	0.8
75.51098	0.3
85.02903	0.3
91.05798	0.4
97.02833	0.4
98.17457	0.3
143.01923	0.3
161.02895	0.4
167.05553	0.4
191.10468	0.4
203.05249	2.6
219.21904	0.3
229.92824	0.3
249.14732	0.5
309.15433	0.5
359.02875	0.6
371.16608	1.3
415.25281	0.4
429.20905	100.0
430.21188	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	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64048	0.8
67.05511	0.9
69.03410	1.0
69.79119	1.0
70.06573	2.2
71.56987	1.2
72.08162	1.0
75.05585	1.3
83.04964	3.5
83.38674	1.0
85.02904	2.4
85.07636	1.2
91.05805	7.0
93.03322	1.0
95.04980	1.4
97.02863	1.4
103.05421	1.2
107.04913	1.2
111.04421	3.6
117.03374	1.0
123.04390	2.0
127.03918	0.9
129.05490	1.4
131.04999	1.3
135.04424	1.3
135.30357	0.9
137.02374	1.1
137.05945	1.6
139.03873	3.8
146.05972	1.0
147.04335	2.5
151.03802	1.3
161.05977	1.8
163.03909	3.8
164.07011	1.6
167.05533	4.0
175.03703	0.8
179.07004	2.0
192.06461	2.3
194.04442	1.1
202.05016	1.9
203.05264	1.6
220.06042	1.6
299.75751	0.9
309.15567	1.0
316.12381	0.8
359.02707	5.2
360.02997	1.1
371.16833	2.7
411.20026	2.8
429.20956	100.0
430.13602	1.0
430.21268	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	429.2113
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03934	8.4
55.01864	5.7
55.05504	17.3
56.96558	4.7
57.03425	18.9
61.02910	9.4
61.39668	2.8
61.79334	2.5
67.05498	15.5
69.03417	37.6
69.07053	5.6
71.04983	7.0
71.54190	4.5
73.02912	3.4
73.04739	3.9
79.05491	16.2
81.03405	92.9
81.07041	24.5
83.04967	30.1
83.08612	22.6
85.02885	29.9
85.06525	3.1
91.03942	9.1
91.05472	14.4
93.07027	16.8
94.00111	2.3
95.04958	25.6
95.08585	14.3
97.02884	51.0
97.06502	2.7
97.10162	3.2
97.51826	2.4
99.04446	7.4
100.11259	4.6
101.02433	3.1
105.07027	20.7
107.04941	5.3
107.08581	10.0
109.02876	13.5
109.06496	3.3
109.10135	8.3
111.04433	8.6
111.08084	9.2
119.04926	2.6
119.08562	16.8
121.06477	4.3
121.10134	10.5
123.11684	4.1
125.09608	4.4
127.03896	16.0
129.05482	7.0
129.06979	6.6
131.08562	10.4
132.25150	2.6
133.10124	9.6
135.11707	2.8
137.05995	3.5
142.07806	2.9
144.24850	2.7
145.10139	3.5
147.04318	4.0
147.11636	13.8
149.02354	22.7
149.03395	4.8
149.09622	5.4
149.13174	2.6
151.07494	21.1
153.05438	4.1
157.10103	11.5
163.11142	6.0
165.09155	5.8
165.12790	5.6
167.05498	5.7
175.11122	14.8
183.06740	3.3
185.92108	2.8
191.10666	7.3
193.04967	14.8
193.12215	64.7
194.12651	3.6
199.04175	2.6
205.12210	4.0
211.13258	100.0
213.23109	2.3
227.12799	6.6
229.14240	4.1
235.09909	4.2
249.14793	6.6
255.08861	3.6
267.15799	3.1
269.12390	17.5
270.12598	4.4
283.15427	2.8
285.16983	7.2
316.11819	3.3
348.15158	4.3
355.17264	6.4
359.02850	5.7
385.09348	3.1
429.12497	14.4
429.21231	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24249	1.0
53.03944	8.9
55.01852	3.3
55.05500	11.0
57.03432	17.4
59.08638	1.0
61.02909	2.0
64.11762	1.1
67.05501	12.9
69.03071	2.2
69.03423	31.5
69.07040	5.2
70.20742	2.1
70.21127	1.5
71.04986	6.8
73.02882	1.2
79.05483	12.6
81.03406	86.1
81.07051	17.8
82.03710	1.5
83.01324	2.0
83.04964	21.5
83.08604	16.7
85.02893	23.1
85.06545	1.3
87.04461	1.7
91.05459	14.6
93.07034	8.8
95.04958	18.8
95.08565	5.5
97.02876	45.6
97.06506	4.8
97.10172	3.2
99.04430	7.7
105.07025	12.5
107.04964	3.8
107.08600	5.6
109.02856	15.0
109.06506	2.9
109.10178	3.1
111.04423	7.5
111.08070	10.5
112.06344	1.2
119.08556	9.3
121.06485	1.2
121.10126	5.4
123.08070	1.6
125.09597	2.9
127.03886	12.3
129.05469	6.7
129.06990	6.9
131.08554	6.8
133.06416	1.7
133.10141	5.6
135.11711	1.7
137.09616	2.0
142.07797	1.8
142.17294	1.2
145.10098	2.3
147.08014	2.5
147.11674	11.2
149.09566	6.3
156.64882	1.3
157.10103	11.6
163.11128	2.9
165.12749	2.6
167.07037	2.5
175.11153	10.6
181.12233	2.7
183.06406	1.7
191.10681	2.7
193.12222	57.4
211.13268	100.0
212.13625	2.9
227.12775	2.5
229.14314	2.9
235.13165	1.3
244.07362	1.1
249.14845	6.3
252.32741	1.2
267.15982	2.0
285.16928	7.4
337.16415	3.0
349.55475	1.3
355.17548	5.1
411.20459	2.4
429.21161	53.1
429.30161	2.3
430.21597	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.7
55.01864	2.8
55.05505	13.5
56.21086	1.5
56.53100	1.5
57.03426	13.6
61.02912	2.1
64.14928	1.6
65.18985	1.4
67.05492	16.3
68.00180	1.4
69.03420	36.2
69.07056	6.3
69.98995	6.8
71.04987	9.9
73.02895	2.4
79.05476	12.8
81.03407	85.1
81.07043	17.2
83.04973	23.3
83.08618	19.5
85.02892	25.8
85.83643	1.4
87.04429	2.1
91.05455	17.1
91.97499	1.4
93.07043	9.7
95.04951	20.2
95.08599	10.4
97.02884	53.4
97.06516	4.3
97.10154	4.1
98.20834	2.4
99.04449	7.8
101.02369	1.5
105.07026	15.0
107.04956	5.3
107.08570	5.7
109.02863	14.1
109.06483	3.4
109.10151	3.3
111.04430	10.3
111.08073	7.0
115.05453	1.5
119.08533	10.6
121.06532	2.5
121.10142	5.8
127.03893	14.2
129.05466	5.9
129.06970	7.8
131.08521	7.7
133.06499	1.7
133.10110	5.6
137.09604	1.9
137.13229	1.8
139.04211	2.3
144.86003	1.3
147.08046	2.4
147.11678	13.6
149.06076	1.6
149.09583	6.4
151.07523	1.7
153.12733	1.5
157.10097	8.7
163.11169	3.0
165.12746	3.7
167.07025	6.6
168.07344	1.5
169.07602	1.4
169.82088	1.3
175.11130	12.7
181.12230	2.5
190.90604	1.4
191.10623	3.0
193.10399	2.7
193.12210	54.1
211.13268	100.0
212.13577	2.5
227.12758	5.2
229.14375	5.2
249.14859	7.8
265.14285	1.6
273.76041	1.4
285.16782	6.8
291.37433	1.7
328.82068	1.6
337.16489	2.6
355.17542	3.9
408.69714	1.5
411.14603	1.6
411.19955	2.2
429.21191	58.2
429.31729	15.9
429.41376	2.7
430.21567	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	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09720	1.4
53.03943	10.6
55.01852	4.6
55.05515	12.8
57.03427	14.8
57.07064	1.5
67.05488	14.4
69.03082	2.6
69.03425	35.8
69.07047	4.5
69.22496	16.0
69.22900	3.5
71.01331	2.1
71.04639	1.5
71.04974	8.7
73.02895	2.7
73.04750	2.0
77.06770	1.5
79.05487	15.1
81.03408	80.7
81.07037	15.9
83.04966	23.5
83.08204	1.8
83.08611	20.9
85.02900	22.5
91.05424	13.5
93.07030	8.1
93.84820	1.8
95.04956	22.4
95.08585	6.9
97.02880	53.6
97.06509	2.0
97.10172	2.9
99.04433	7.2
103.26945	1.6
105.07027	12.3
107.04929	3.2
107.08569	5.4
109.02862	14.4
109.06512	3.5
109.10138	4.4
111.04414	8.8
111.08067	9.8
113.00022	8.7
117.06992	3.1
119.08546	13.6
121.06501	1.5
121.10088	7.8
123.07053	1.6
123.08035	2.3
127.03900	14.2
129.05443	5.3
129.06952	8.8
131.08522	7.3
133.06441	2.6
133.10107	5.6
135.11705	2.5
137.09555	1.9
139.66714	1.5
145.10066	2.6
147.08028	3.7
147.11673	13.9
149.02292	3.0
149.09612	4.4
153.12720	1.8
157.10126	9.8
163.11113	5.3
165.12746	3.1
167.07068	2.5
169.02579	6.2
173.06015	1.9
175.11180	15.5
181.12219	2.4
183.06436	3.0
191.10593	3.1
193.04919	2.2
193.12219	54.6
211.13263	100.0
212.13632	2.2
227.12759	5.4
229.14389	4.1
249.14818	6.3
285.16858	8.2
312.63004	1.5
355.17468	5.4
359.02734	3.1
411.20285	3.9
429.11884	3.4
429.21207	50.1
430.21298	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	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
55.01856	4.7
55.05505	13.4
57.03428	15.8
64.93469	1.9
65.64490	1.8
66.57090	2.0
66.75170	2.0
67.05497	12.6
69.03416	30.3
69.07056	5.4
69.36495	7.2
69.36921	12.6
71.04990	7.2
73.02902	3.5
79.05495	11.2
81.03404	69.8
81.07041	20.1
83.04954	16.6
83.08601	17.3
85.02895	20.5
91.05466	7.2
93.07030	9.2
95.04973	16.8
95.08597	5.6
97.02879	47.7
97.06512	3.9
97.10136	2.7
99.04435	6.5
105.06988	9.8
107.04974	4.2
107.08593	5.8
109.02841	11.5
109.06522	2.6
109.10139	3.8
109.29830	2.7
111.04418	8.0
111.08076	7.5
113.00009	6.7
115.40426	1.8
119.08561	9.9
121.10138	7.7
127.03902	10.8
129.05455	5.2
129.07004	4.5
131.08549	5.6
133.10114	7.6
145.10077	3.3
147.11638	13.1
149.02330	4.5
149.09583	2.4
151.25571	2.2
157.10092	9.0
162.48201	2.3
163.11153	2.2
164.68153	2.0
165.12730	3.1
167.05548	2.5
167.06992	2.8
169.02614	4.2
175.11198	11.7
176.33458	2.0
191.10765	2.6
193.04930	3.5
193.12227	56.5
211.13263	100.0
212.13681	2.2
227.12753	5.1
229.14291	3.0
249.14851	5.0
285.17035	6.1
355.17380	6.4
359.02750	5.1
378.33743	2.4
411.20218	2.3
429.11996	4.6
429.21213	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.1
55.01879	3.2
55.05508	10.7
55.08576	1.3
57.03432	17.5
61.67059	1.2
65.03930	1.3
67.05490	14.2
69.03072	2.5
69.03423	28.9
69.07056	6.4
71.01349	1.4
71.04970	8.6
73.02917	1.5
79.05484	11.1
81.03407	85.0
81.07039	16.4
83.01329	2.0
83.04974	24.5
83.08611	20.0
85.02895	24.5
87.04454	1.7
91.05445	16.6
93.07025	9.3
95.04961	17.6
95.08603	7.8
97.02882	50.5
97.06527	3.1
97.10164	4.6
99.04439	5.9
101.02394	1.4
105.07030	11.3
107.04955	4.7
107.08572	6.3
109.02860	13.6
109.06525	3.2
109.10157	3.7
111.04415	9.0
111.08047	8.2
115.25979	1.2
118.57016	1.6
119.08572	11.6
121.06473	1.5
121.10104	6.7
123.08083	1.4
124.92390	1.5
125.09679	1.5
127.03911	12.2
129.05461	6.0
129.06998	8.0
131.08559	5.5
133.06497	2.9
133.10124	6.1
135.11664	1.9
145.04987	1.6
145.10103	2.2
147.08023	2.4
147.11678	11.1
149.09625	5.4
157.10112	11.9
163.11156	1.5
163.25227	1.3
165.05527	1.3
165.12749	4.7
167.06989	2.1
175.11162	10.2
181.12286	3.9
189.11240	1.4
191.10704	2.9
193.12215	49.4
194.12558	1.4
211.13266	100.0
212.13589	2.2
227.12827	5.1
229.14383	3.9
229.34749	1.9
237.07585	1.3
249.14848	4.1
256.26285	1.7
267.15933	2.3
285.16901	7.0
334.85358	1.5
337.16406	1.8
355.17377	3.4
380.20084	1.4
411.20187	1.8
429.21185	53.9
429.31094	2.6
430.21548	3.2
439.95337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01860	5.0
55.05504	13.9
57.03431	13.7
67.05501	12.7
69.03424	32.9
69.07065	4.4
69.95282	4.3
69.95679	6.1
71.04966	5.8
73.02914	3.8
79.05478	12.8
81.03410	84.6
81.07063	15.9
83.04973	20.1
83.08607	17.4
85.02901	21.9
91.05433	15.4
93.07030	10.4
95.04955	15.7
95.08607	12.2
97.02887	46.6
97.06499	3.1
97.10169	4.8
99.04448	7.0
105.07001	11.4
107.04998	4.2
107.08598	6.5
109.02887	13.5
109.06499	3.2
109.10182	2.2
111.04428	8.4
111.08070	10.3
119.08582	13.8
121.10144	7.3
125.09669	3.0
127.03901	10.6
129.05458	5.0
129.07013	7.7
131.08568	4.4
133.10104	5.6
142.07829	2.8
147.11667	11.5
149.09616	4.7
157.10136	8.2
165.12807	3.7
167.07001	9.6
175.11162	11.5
181.12204	3.9
191.10590	2.4
193.12230	66.2
211.13269	100.0
212.13724	3.7
227.12785	5.2
229.14458	2.9
249.14859	5.5
285.16992	7.5
337.15961	2.6
355.17279	4.8
429.21255	66.2
429.32089	9.9
430.21643	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2783
Annotation	4,4'-Diapolycopenedial
Peak:m/z	Relative Intensity
53.03934	1.7
55.05499	6.1
57.07060	2.0
65.03914	2.4
66.00671	1.0
67.05156	1.3
67.05494	17.4
69.03402	2.7
69.07057	7.9
69.27335	9.3
70.98822	0.9
72.63168	0.8
79.05472	7.4
81.03395	1.5
81.07047	15.6
83.04967	2.7
83.08602	4.4
91.05444	7.9
93.07031	15.2
95.04955	14.4
95.08596	23.8
97.06503	3.0
97.10137	2.8
105.07014	10.9
107.08581	21.8
109.06488	7.3
109.10139	9.7
111.08070	9.4
117.06976	1.5
119.08566	9.5
121.06480	3.9
121.10123	12.7
123.08065	6.5
123.11650	5.2
125.09613	2.9
128.06215	1.7
129.06998	5.0
131.08583	4.9
133.10124	5.6
135.08038	4.4
135.11671	14.3
137.09584	2.9
137.13235	2.0
141.06978	3.1
142.07750	2.5
143.08522	5.3
145.06436	0.9
145.10133	5.3
147.07996	1.3
147.11650	3.6
149.09598	6.7
149.13260	2.9
153.06938	2.1
154.07782	1.6
155.08519	7.2
156.09331	1.6
157.10081	8.7
159.11681	4.8
161.09615	2.2
161.13251	4.0
163.11147	16.3
163.14780	3.7
165.07025	5.3
165.12749	3.0
166.07713	2.9
167.07172	1.6
167.08556	4.9
168.09314	1.7
169.10117	10.0
171.08046	2.1
171.11653	3.9
173.09621	1.3
173.13217	2.9
174.10422	0.9
175.11160	2.7
175.14764	1.0
177.12697	4.2
178.07771	2.3
179.08528	7.3
179.14278	2.7
180.09300	3.7
181.10114	23.2
182.10826	3.2
183.07959	1.2
183.11665	13.6
187.11201	1.1
187.14734	1.1
189.12746	3.2
189.16341	1.6
191.08542	3.1
191.14313	2.7
192.09341	5.2
193.04898	1.1
193.10104	10.0
194.10851	3.1
195.11687	10.8
196.12363	1.7
197.09554	2.9
197.13214	10.7
199.11156	33.1
199.14841	1.6
203.08530	3.4
204.09261	2.4
205.10120	9.0
206.10913	8.4
207.11682	14.7
208.12379	2.5
209.09583	2.6
209.13225	11.3
211.11098	2.3
211.14841	5.9
213.12738	8.2
215.08566	1.0
216.09294	1.9
217.10101	6.9
217.12048	1.6
217.15848	3.3
218.10913	5.4
219.11641	9.0
220.12444	5.2
221.09647	2.3
221.13219	15.6
222.13994	1.0
223.11230	4.5
223.14742	7.1
224.11856	1.4
225.12721	13.2
225.16212	4.5
227.14272	2.1
229.10010	1.6
230.10893	2.6
231.11708	7.4
232.12462	6.2
233.09625	1.6
233.13223	12.7
234.10373	1.4
234.13963	3.7
235.11072	2.2
235.14813	11.9
235.59406	0.9
236.11813	1.3
237.12741	4.5
237.16280	4.6
239.14290	26.7
241.10065	1.3
241.15926	1.9
243.11664	3.9
244.12553	4.1
245.13184	9.1
246.13968	4.7
247.11153	3.7
247.14793	14.8
248.11943	2.4
248.15480	2.6
249.12740	15.1
249.16307	11.0
250.13179	0.9
251.14278	15.4
253.15857	5.8
255.11658	1.2
256.12369	1.4
257.13159	4.6
258.13989	2.5
259.14801	6.1
260.15518	4.3
261.12708	3.0
261.16357	12.7
262.13666	1.3
262.16992	1.4
263.14288	37.0
263.17834	6.2
264.14859	1.3
265.12091	1.1
265.12589	1.3
265.15854	16.3
266.16507	1.7
267.14221	1.7
267.17426	7.6
268.12308	1.0
269.13150	1.6
270.14047	1.9
271.14740	5.0
272.15494	3.0
273.13263	1.1
273.16360	5.3
274.17105	1.9
275.14252	4.2
275.17889	6.1
277.12601	1.6
277.15829	14.0
277.19461	3.2
279.14008	1.4
279.17422	5.2
283.14813	2.7
284.15512	1.9
285.16193	4.8
287.14236	2.7
287.17886	5.8
288.15161	1.6
288.18488	1.9
289.12201	2.9
289.15842	8.6
289.19452	17.5
290.16486	1.6
291.17410	8.3
291.20953	2.6
293.15491	1.4
293.18912	2.1
296.15707	1.1
297.16406	1.8
298.17212	1.9
299.17862	3.9
301.15839	2.6
301.19458	2.8
303.14014	1.7
303.17371	10.4
303.21008	2.8
304.17975	2.4
305.15308	2.2
305.18939	30.4
305.22461	2.0
306.19464	2.2
307.17194	1.4
307.20502	3.4
309.16177	1.0
311.17853	1.9
312.18726	1.6
313.19379	3.2
315.17407	3.8
315.21057	5.9
316.21765	1.2
317.18933	5.5
317.22641	2.5
319.20441	10.1
327.17477	1.3
327.21091	3.7
329.18756	2.5
329.22437	2.0
331.16992	1.7
331.20505	9.9
331.24054	1.1
332.20981	1.4
333.18448	1.6
333.22021	12.9
337.19507	1.2
341.18771	3.2
341.22552	1.3
342.19504	1.0
343.20496	2.4
345.18326	1.8
345.22128	3.1
347.19745	1.1
355.15594	1.2
355.20450	4.4
355.24252	1.2
356.24890	1.1
357.21976	1.4
359.19955	2.9
359.23785	1.2
361.21457	1.5
369.21808	2.0
369.25729	2.6
371.23636	4.7
373.21329	3.1
373.25406	2.0
376.66309	0.9
383.27545	4.1
385.25397	1.7
387.22678	1.6
387.26944	1.9
393.25714	1.8
401.28473	9.8
411.26767	23.4
412.26974	1.1
429.27795	100.0
430.28262	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	429.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59167	2.3
55.05495	19.8
57.03420	2.8
57.07058	8.6
59.05000	4.5
59.21454	2.5
67.05499	28.3
69.03419	7.2
69.07053	23.7
69.33121	3.1
69.33437	28.8
71.04992	3.1
73.04716	2.8
79.05486	16.3
81.03423	9.5
81.07045	37.4
81.79992	2.4
83.04966	16.0
83.08615	10.6
85.02894	3.4
91.05417	17.4
93.07031	43.8
95.04957	9.5
95.08596	79.8
97.02836	5.2
97.06508	8.3
97.10156	7.6
98.20757	6.0
105.07024	27.3
107.08587	56.4
109.06507	12.6
109.10130	43.8
111.04446	7.5
111.08069	10.3
111.11707	4.0
117.07035	4.6
119.08553	36.7
121.06501	4.7
121.10140	38.3
123.08076	17.4
123.11681	17.7
124.43948	2.9
125.09622	6.5
127.11196	3.4
129.06982	7.1
131.08537	23.7
133.06462	3.8
133.10120	30.0
135.08054	8.2
135.11676	34.0
137.09610	6.7
137.13216	8.4
139.07576	5.4
139.11151	5.8
141.09122	5.1
142.07709	4.8
143.08569	8.3
145.06474	3.4
145.10095	33.1
147.08072	3.9
147.11661	24.8
149.02359	17.0
149.03310	2.8
149.09613	7.5
149.13239	22.9
151.11209	4.2
155.08553	6.2
157.10121	14.7
159.11678	25.9
161.09686	7.5
161.13242	14.8
163.11179	11.7
163.14780	5.0
165.08893	2.5
165.12875	3.0
167.05603	4.0
167.06995	3.9
169.10144	7.0
171.11650	11.4
173.09682	4.1
173.13246	21.8
175.11111	5.3
175.14836	8.0
177.16357	3.4
179.14244	4.9
181.10124	7.6
182.10788	3.7
183.11644	5.2
185.13228	15.5
186.14195	3.1
187.11165	4.9
187.14772	21.0
189.12709	7.2
189.16389	6.4
191.08537	2.9
191.10582	3.3
191.14267	3.7
193.04958	12.0
193.12210	7.3
197.13205	6.6
199.11162	8.6
199.14752	4.5
201.16348	8.4
205.15843	7.7
207.11592	3.4
209.13278	6.5
211.13168	6.5
211.14977	5.8
213.12691	4.4
215.14275	8.4
215.17911	6.2
219.11674	2.8
219.13629	5.6
221.13274	5.8
223.11275	3.5
225.12712	6.8
229.15903	5.9
229.19484	29.6
233.15430	9.9
235.14729	5.3
237.07617	5.2
239.14319	7.7
241.19501	3.4
245.15363	4.6
247.16924	6.8
263.14276	7.5
265.15891	5.7
270.23395	3.5
277.15961	3.7
305.18896	9.9
317.21219	3.3
333.21570	3.3
359.02670	5.7
369.27872	43.7
371.26398	3.4
385.09247	3.7
387.28900	100.0
388.29062	3.2
411.26950	3.5
419.71298	2.8
424.96332	2.6
429.11768	10.6
429.19739	6.7
429.27499	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05504	14.1
57.03413	0.7
57.07066	10.9
67.01849	1.4
67.05495	7.2
69.07060	47.8
69.47644	3.3
71.08633	5.8
79.05477	2.6
79.18471	0.4
81.07050	12.4
83.01324	0.6
83.04957	2.6
83.08607	19.8
85.02902	0.5
85.06541	0.5
85.10161	2.6
91.05441	3.2
93.07034	8.6
95.04935	1.5
95.08041	0.8
95.08601	11.7
97.06467	0.6
97.10156	10.2
105.07006	2.7
107.08575	2.0
109.06528	2.9
109.10136	5.8
111.11710	6.3
119.08570	2.2
121.06480	2.1
121.10095	1.7
123.08038	2.6
123.11685	4.4
125.13244	3.3
127.13277	0.5
128.06187	0.7
131.08522	1.2
133.06458	1.4
133.10092	1.2
135.08028	1.7
135.11670	1.0
137.05957	11.2
137.09634	0.7
137.13225	2.0
138.06700	1.2
139.07523	3.9
139.14923	0.5
141.05478	2.9
143.08530	1.3
143.98305	0.6
145.10092	1.0
147.08057	2.8
147.11655	1.0
149.05956	5.8
149.09616	0.7
149.13249	0.7
150.93373	0.5
151.07524	22.1
151.14772	1.4
152.07887	0.7
153.05469	0.7
157.10138	0.9
159.08067	2.0
159.11664	0.8
161.05948	3.0
161.09615	1.3
163.07578	1.1
163.14809	0.7
165.05467	9.1
165.09074	6.5
166.06210	1.5
167.07019	100.0
168.07358	2.1
173.09633	1.1
174.06665	0.6
175.07550	2.9
175.11215	1.2
177.05429	1.0
177.09109	3.4
178.06258	0.9
179.07027	3.2
179.10645	2.0
180.69632	0.5
181.08592	3.7
185.09456	0.6
187.11069	0.6
188.08287	0.9
189.09116	5.4
189.12723	1.2
191.06987	3.4
191.10634	1.4
192.07758	1.9
193.08577	5.7
195.10139	0.8
199.11011	0.5
201.09048	0.9
203.10695	4.4
204.97217	0.5
205.08574	6.7
205.12198	2.1
206.09436	0.7
207.10133	9.3
215.10638	2.0
217.12189	2.2
219.10149	2.7
219.13889	0.5
221.11729	4.0
221.15251	0.6
229.12177	0.6
231.13777	0.9
233.11700	2.7
235.13281	1.7
238.62396	0.5
247.13225	1.3
249.14609	1.1
259.16943	0.6
277.17987	1.0
291.19543	1.3
303.19528	0.7
305.20975	0.7
319.22604	1.0
333.27740	0.6
347.25745	2.6
361.27371	0.9
378.17532	0.6
401.34055	0.8
411.32382	2.1
429.16788	0.7
429.33652	7.7
430.34076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05495	2.1
57.07068	13.7
63.10118	0.4
67.05497	4.1
68.01771	0.4
69.03421	0.5
69.07059	4.0
70.81139	1.1
71.08622	10.1
72.92161	0.4
74.34599	0.3
79.05470	1.6
81.07043	6.7
83.04933	0.5
83.08604	2.9
85.10169	5.3
91.05443	1.6
93.07027	2.3
95.04921	0.4
95.08589	6.1
97.10162	1.9
105.07012	2.2
107.08586	4.4
109.10145	6.0
111.04417	1.0
111.11688	0.7
117.07034	0.6
119.08562	3.5
121.06492	2.8
121.10121	3.7
122.07250	1.2
123.08047	1.2
123.11704	0.8
125.05949	0.6
125.13238	0.4
125.32999	0.4
131.08534	1.4
133.10095	1.4
135.08018	4.1
135.11647	1.2
136.08784	2.5
137.05942	0.9
137.09599	10.1
137.13188	0.4
139.07507	1.4
144.09303	0.5
145.10114	2.0
149.09601	13.4
149.13277	0.5
151.07509	1.1
152.08316	0.6
157.10095	0.9
158.10921	0.4
159.08044	0.7
159.11676	2.4
160.08794	0.7
161.05992	0.5
161.09590	0.7
162.06743	0.9
163.07468	0.5
163.11157	17.6
164.08318	5.9
165.09085	100.0
166.09419	2.6
171.11705	0.4
172.08775	0.7
173.09595	1.9
173.13170	1.8
174.10426	0.7
175.11171	5.7
176.08316	1.6
177.09090	10.5
177.10620	0.7
177.12640	1.8
178.09467	0.6
179.10677	1.9
186.10454	0.6
187.11147	2.4
187.14827	0.7
189.09044	0.7
189.12703	2.0
190.09904	1.2
191.10652	7.9
191.14328	0.4
200.12030	0.5
201.12712	2.7
203.10710	1.0
203.14250	1.2
204.11493	0.7
205.12222	11.2
215.14296	1.2
219.13759	4.8
233.15401	2.1
247.16919	1.7
261.18442	1.1
275.20096	1.7
289.21655	1.3
303.23151	1.6
317.24600	0.9
331.26294	0.6
336.26251	0.4
345.27826	0.8
359.29373	0.6
373.31021	1.2
376.10739	0.4
401.33807	2.3
411.35974	2.0
429.37228	30.6
430.37961	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05499	3.8
57.07072	16.8
59.97643	0.6
67.05503	4.4
69.07059	5.8
69.34674	6.9
71.08627	13.6
75.87009	0.6
79.05480	1.3
80.08562	0.6
81.07048	7.0
83.04949	0.9
83.08602	2.1
85.10179	6.2
91.05471	2.1
93.07021	2.3
95.08595	6.7
97.10169	2.1
105.07011	2.1
107.08597	4.3
109.10153	6.5
111.11646	1.1
117.07008	0.9
119.08582	3.3
121.10106	3.4
122.07265	1.3
123.08047	1.0
123.11662	1.6
125.13226	1.3
131.08572	1.2
133.10110	1.7
135.08043	4.5
135.11629	2.0
137.09612	9.1
139.07578	1.8
145.10101	1.9
147.11655	1.4
149.09604	12.6
151.07561	1.8
152.85049	0.7
159.07993	1.1
159.11670	3.0
161.09560	1.2
163.11163	19.5
164.08304	0.9
165.09102	100.0
166.09421	2.5
170.83286	0.6
173.09630	1.6
173.13196	2.0
175.07541	1.1
175.11147	4.7
176.08327	2.4
177.09102	14.5
177.12747	2.2
179.10672	2.3
186.10313	0.9
187.11177	3.1
187.14825	1.3
189.09172	1.2
189.12714	2.4
190.09904	1.8
191.10654	10.5
193.12199	1.1
200.11900	1.3
201.12689	2.3
203.10634	2.8
203.14314	0.7
205.12257	8.7
206.27193	0.8
215.14337	1.4
217.15755	0.8
219.13730	5.4
233.15302	2.4
247.16896	0.9
261.18692	1.1
275.20102	0.9
289.21494	1.5
303.23245	1.2
317.24847	1.5
401.33890	2.0
411.35913	1.2
429.37228	30.7
430.37738	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.71713	1.0
55.05500	2.8
57.06834	1.2
57.07072	19.0
61.85599	0.9
67.05487	3.8
67.77589	1.0
69.07064	6.9
69.84167	6.7
71.08612	11.6
71.90710	0.9
78.38964	1.1
79.05502	1.7
81.07045	7.5
83.08604	4.8
85.10165	5.9
88.86192	1.0
91.05453	2.0
93.07009	4.2
95.08593	7.4
95.99601	1.0
97.10139	3.1
105.07009	2.3
107.08591	5.4
108.40636	1.0
109.10155	4.9
111.04429	1.2
111.11675	1.1
115.98969	0.9
119.08566	4.4
121.10140	4.1
122.07313	1.5
123.08047	1.9
123.11639	1.6
131.08522	2.1
133.10139	2.3
135.08038	6.3
135.11714	2.8
137.05975	1.4
137.09598	9.4
137.13181	1.4
139.07524	2.8
145.10089	1.3
149.09593	15.7
149.13245	1.2
151.07469	3.1
157.10229	1.2
159.08093	1.2
159.11696	3.1
162.06709	1.3
163.11171	23.2
165.09096	100.0
166.09346	1.2
167.07047	7.6
173.09612	2.6
173.13266	2.0
175.07654	1.5
175.11169	6.4
176.08286	1.9
177.09103	12.5
177.12898	2.3
179.10674	1.1
187.11169	2.8
187.14778	1.4
189.09093	2.5
189.12637	1.8
191.10645	9.9
201.12750	2.1
203.10699	1.4
205.12206	10.3
215.14279	2.1
219.13718	5.7
233.15349	2.6
247.17096	1.9
249.31087	1.2
261.18494	1.6
289.21973	1.2
303.23343	2.3
317.24719	1.4
401.34122	3.5
411.36072	2.2
429.37256	40.8
430.37839	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	430.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44051	3.7
55.05503	12.1
60.04527	20.7
65.03933	20.9
67.05508	29.8
68.99791	7.0
69.03415	15.2
69.60702	31.7
72.04501	4.8
76.07635	6.4
79.05508	4.8
83.04974	76.9
84.04496	20.9
85.02905	22.9
91.05491	13.4
93.03392	30.0
94.06548	8.7
95.04961	22.7
100.03954	6.8
103.05449	10.7
105.03371	6.7
107.04947	11.4
109.02872	7.2
111.04437	100.0
118.06528	11.9
119.04920	15.5
121.02837	21.7
121.06483	8.6
122.06030	5.8
123.04416	57.0
126.05461	6.4
129.05461	33.8
130.06517	4.4
131.04913	12.1
132.04483	4.9
133.02859	35.5
134.05995	9.8
135.04411	9.3
136.07565	15.1
137.05954	14.6
138.05441	5.7
139.03889	46.9
146.06000	37.4
147.04390	41.2
148.03880	6.5
148.07536	23.4
149.02303	27.9
149.05977	14.2
150.03134	6.6
150.05516	15.0
151.03847	32.7
152.07066	10.5
156.04347	4.4
157.04965	23.3
159.04384	8.6
160.03911	4.6
161.02377	9.8
162.05502	8.3
163.03897	21.7
163.06184	7.2
164.07045	88.9
165.05438	17.6
165.07806	8.6
166.04982	8.5
166.08633	6.1
167.03374	11.8
168.06493	7.7
174.05505	27.3
175.03947	10.6
175.06009	13.1
176.03362	8.4
176.07036	34.1
177.01822	30.3
177.05434	15.8
178.04970	23.6
178.08617	11.6
179.03349	34.0
180.06564	10.5
181.07327	5.6
182.08179	4.6
192.06529	77.0
193.01382	5.0
193.05029	8.6
193.06873	5.6
194.04431	19.5
194.08113	38.2
195.02879	34.0
196.06055	4.0
202.04988	24.0
203.03371	29.9
203.05269	6.5
204.06502	9.1
210.07530	26.6
220.06017	80.9
221.04480	16.5
221.06505	4.1
222.07675	8.0
238.07085	74.6
239.05475	8.1
256.08243	21.1
258.09796	4.1
269.87808	4.3
327.67725	4.2
351.07224	4.1
353.08725	12.3
366.11880	5.4
384.12900	8.5
394.11334	16.3
412.12323	73.5
413.10556	5.5
430.13391	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43270	2.9
57.03435	20.2
57.07069	17.2
59.04996	3.5
63.04480	16.7
67.32264	2.1
69.03425	63.2
70.06580	10.6
71.40442	2.9
71.40791	3.7
73.02895	3.0
85.02901	48.2
86.09699	6.5
87.04462	53.6
97.02892	57.7
106.75466	2.4
107.08553	3.1
115.03925	77.1
119.10685	100.0
121.10163	2.6
127.03913	7.0
133.04958	68.9
139.13382	2.6
145.04962	5.1
147.04442	4.1
149.09619	3.1
150.07610	6.0
167.05551	2.8
187.69838	2.6
189.12682	2.8
232.17007	3.3
241.06877	3.2
259.08148	3.2
268.19052	4.7
287.05270	2.5
430.24744	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	430.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06435	0.5
55.05485	0.7
57.07052	2.8
67.05500	3.6
68.31218	0.6
69.07056	1.2
71.08609	2.2
71.51989	1.2
76.67137	0.5
81.07032	2.6
81.32693	0.7
83.08601	0.7
91.05479	1.6
93.07031	2.2
95.08576	1.4
107.08579	1.2
109.10140	4.4
119.08575	2.5
121.06487	11.0
121.10120	0.9
122.07272	1.6
123.08044	0.8
131.08624	0.7
135.08038	1.4
136.08827	11.8
137.09612	12.1
138.71815	0.6
149.09598	3.4
150.09933	1.3
151.07529	0.9
152.08289	0.8
159.11635	1.1
163.11151	2.3
164.08319	28.1
164.11470	1.0
165.09097	100.0
166.09445	7.6
169.50218	0.6
175.11148	1.0
177.09109	2.4
178.09543	1.2
187.11186	1.0
190.09824	0.8
191.10645	1.5
197.99306	0.5
205.12228	5.3
206.12694	0.8
219.13739	0.7
277.61172	0.7
314.26013	0.7
430.37912	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	431.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05487	2.5
56.96553	3.2
64.63933	2.0
65.03927	9.2
67.05496	5.0
69.03423	4.6
70.19634	4.1
70.20020	4.8
76.07630	6.0
81.03393	2.1
83.04968	7.2
85.02876	4.6
90.05537	3.7
93.03397	17.2
95.04961	17.7
97.02866	3.4
101.00859	8.4
109.02804	2.2
111.04430	8.4
119.01029	2.8
119.01903	72.7
121.02847	73.2
125.04497	7.1
127.03886	2.0
131.01863	3.1
135.04352	2.9
137.02937	34.5
139.03886	6.9
142.03442	4.5
152.03116	2.2
153.03996	7.2
155.01923	2.5
157.03520	2.9
159.05042	3.8
163.03893	20.1
164.04227	3.1
167.01820	2.1
169.03445	21.6
171.05005	16.9
174.12375	2.1
177.99550	2.0
179.01898	6.1
179.03310	2.2
187.04538	7.5
190.27687	2.1
195.01332	3.0
195.05011	5.3
197.02933	60.9
203.01830	3.9
211.04517	10.3
213.06075	5.8
215.03967	47.5
220.04646	2.8
221.02908	29.1
221.04858	4.2
229.05562	3.0
233.05038	8.0
239.03951	11.3
245.06621	2.8
257.05051	38.7
257.07751	2.8
261.06097	2.4
263.07663	2.6
270.15591	2.0
271.04477	3.3
273.06042	4.2
275.06079	90.2
276.06375	6.8
289.05481	6.4
291.07104	2.9
298.07712	10.2
299.04031	7.2
307.06409	3.5
317.04861	10.1
325.07660	2.8
335.06204	11.2
353.07104	10.7
371.08218	28.2
389.09268	100.0
390.09430	6.6
412.10782	9.6
431.01395	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	431.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
56.96545	3.8
63.86119	1.9
65.03929	9.4
67.05487	4.1
70.75279	3.6
75.91709	1.7
78.44347	1.7
82.99854	1.7
83.04961	5.4
83.42670	2.1
84.50313	1.7
85.02871	3.8
89.37148	2.0
91.05751	2.0
93.03402	14.0
95.04954	15.8
97.02880	3.0
101.00867	7.9
111.04435	4.6
119.01901	66.0
121.01978	3.5
121.02853	68.4
125.04465	3.9
126.08249	1.9
137.02942	28.9
139.03859	6.4
142.03485	2.5
145.03397	2.7
151.02341	2.2
153.03944	4.8
157.03450	3.1
159.05054	1.8
161.01041	2.3
169.03435	19.0
171.04994	15.8
173.02925	3.7
175.04485	2.0
179.01865	7.0
187.04535	5.6
193.03453	2.4
195.05031	5.8
197.02933	62.5
198.03006	2.9
203.01884	3.8
211.04483	8.4
213.06104	2.9
215.03972	38.0
216.04167	3.1
221.02933	27.8
229.05440	1.9
233.05026	7.5
238.78734	2.0
239.04025	12.4
245.06760	3.7
257.02524	3.0
257.05038	41.2
261.06024	1.9
271.04404	3.4
271.63461	2.2
273.06018	4.8
275.06097	99.0
276.06348	5.1
289.05518	4.6
291.07059	6.1
298.07681	4.8
299.03958	10.7
307.06494	4.2
309.07983	2.7
317.04965	9.0
335.06137	11.6
340.57782	2.3
353.07101	10.4
371.08224	25.5
372.08542	3.3
389.09286	100.0
390.09406	8.5
407.10245	2.3
412.10800	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3151
Annotation	Sargachromanol J
Peak:m/z	Relative Intensity
52.44059	2.5
53.92304	3.1
55.05500	9.2
56.43878	2.6
56.44170	2.9
61.27620	2.6
65.63428	2.7
67.05495	15.9
69.07048	13.7
71.04971	5.0
71.17947	5.5
79.05466	5.2
81.07047	33.2
83.08602	6.5
87.72118	2.6
91.05473	7.9
91.36317	2.3
93.07024	15.8
95.04922	2.9
95.08590	35.8
97.10163	3.7
97.24289	2.6
105.07005	6.4
107.08589	3.9
109.06508	3.1
109.10142	19.9
113.09664	3.3
121.10138	5.4
123.08041	3.0
123.11668	14.0
133.10089	3.3
135.08076	3.0
137.05972	11.5
139.07460	4.3
141.35870	2.7
149.05969	4.0
151.07500	32.5
159.08064	3.5
161.05962	6.2
165.05481	14.4
165.09123	10.9
167.07022	100.0
167.08389	6.3
175.07503	7.6
177.09186	5.5
188.08395	3.0
189.09042	17.2
191.07146	2.8
193.08580	4.5
203.10640	8.1
205.12079	3.2
207.10172	9.5
231.13863	3.2
277.33240	3.6
406.37204	2.8
413.30365	23.7
431.31506	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	431.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05505	6.4
57.03420	0.9
57.07067	23.2
61.20154	0.7
65.03954	0.8
65.34963	0.8
66.96362	0.7
67.01852	1.0
67.05484	3.4
69.07063	9.5
69.23167	7.7
69.23602	1.4
71.08623	18.6
79.05473	2.0
81.07055	10.9
83.04965	3.0
83.08603	6.8
85.10171	11.0
91.05481	2.9
93.07042	6.4
95.08588	10.1
97.10168	5.5
99.11739	1.1
102.39091	0.9
105.07004	2.3
107.08618	1.1
109.06470	4.1
109.10141	4.9
111.04467	0.9
111.11698	2.1
119.08568	2.2
119.77665	0.8
121.06529	2.1
123.08038	4.7
123.11690	2.1
125.13290	1.1
131.08607	1.0
133.06477	1.3
133.10121	1.3
135.07997	1.7
137.05966	15.1
137.09677	0.7
138.06763	1.6
139.03899	1.4
139.07535	4.1
143.08499	1.2
145.10092	1.0
147.08015	4.7
149.05984	4.4
149.09605	1.7
151.07527	35.9
157.10147	2.5
159.08092	2.2
161.06006	4.2
161.09612	2.9
163.07533	1.9
165.05455	11.1
165.09096	11.0
167.07019	100.0
168.07321	2.0
175.07545	6.2
175.11159	2.1
177.09035	5.4
178.06296	1.1
179.07040	6.5
179.10669	3.4
181.08574	4.2
188.08321	1.3
189.09085	9.4
189.12759	2.0
190.94243	0.8
191.07010	2.6
191.10651	2.6
192.07747	1.6
193.08588	10.8
195.10077	1.9
203.10669	5.7
205.12221	1.3
206.09550	1.0
207.10139	12.2
207.51117	0.8
217.12230	3.8
221.11752	7.6
231.13826	2.3
235.13156	3.7
249.14801	1.5
263.16428	1.1
271.24133	0.9
305.21124	0.9
330.91299	0.8
361.27347	1.1
371.49020	0.8
375.28824	1.8
385.34674	1.9
403.35718	2.6
413.34219	4.7
431.35144	37.1
432.35547	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	432.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00640	1.0
50.74719	1.2
67.05496	3.7
69.07043	1.6
69.51024	10.0
71.08596	1.0
79.05491	1.2
81.07041	1.8
95.08608	8.9
107.04923	6.0
107.21064	1.1
109.06522	1.2
111.34204	1.2
121.06435	1.9
122.07279	6.0
123.08052	11.6
131.08656	1.1
135.08038	2.2
137.05936	3.1
150.06749	17.7
151.07523	100.0
152.08186	6.5
153.05450	9.4
153.28844	1.3
159.02446	1.2
163.11224	1.7
164.08336	2.7
173.09570	1.4
175.07533	2.6
176.08275	1.3
177.09119	3.1
191.10651	17.5
243.74272	1.2
322.83817	1.1
414.34930	18.5
415.35663	2.1
432.35974	50.7
433.32706	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.112
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01858	0.3
65.03920	0.3
68.99782	0.4
69.03418	0.3
69.07060	0.1
71.04976	0.2
79.05496	0.2
81.03421	0.2
85.02905	0.4
86.09662	0.2
91.05463	0.2
105.07016	0.4
107.04932	0.4
107.08583	0.1
109.02800	0.2
115.05421	0.2
115.40101	0.1
117.07000	0.3
119.04901	0.1
119.83514	0.1
121.02853	0.5
121.06469	0.2
123.04425	0.4
129.06970	0.3
133.06499	0.3
137.02328	2.9
137.05963	0.3
139.05463	0.2
141.06924	0.3
143.04924	0.3
145.06497	0.3
147.04373	0.2
149.02339	0.5
153.01840	0.2
157.06418	0.7
161.05930	0.8
163.03938	0.2
165.01826	0.3
167.04965	0.1
167.07028	0.6
171.04346	0.3
175.03952	0.2
175.07484	0.2
177.01723	0.2
181.04935	0.4
185.05945	1.0
189.05449	0.6
193.04941	0.2
199.03798	0.2
213.05463	2.2
216.04204	0.3
217.04915	0.1
228.16679	0.3
231.06442	0.9
241.04886	1.0
242.05702	0.2
251.08958	0.3
259.06122	0.4
269.04361	0.4
271.05814	0.4
287.05460	100.0
288.05792	4.8
317.05618	0.3
433.10397	0.3
433.15817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03438	3.5
69.03410	0.9
70.61248	1.8
71.04986	25.2
75.04454	0.8
83.04962	0.8
85.02898	23.3
87.04436	1.0
94.91059	0.5
110.63348	0.6
111.00796	0.6
118.42549	0.6
121.02857	2.5
129.05470	4.7
137.02324	0.7
147.06508	1.0
153.01822	3.6
165.01814	2.3
167.20474	0.6
183.02931	0.7
192.35226	0.6
213.05495	1.1
229.04816	0.7
231.06509	0.7
241.04912	0.9
258.05188	1.6
287.05472	100.0
288.05765	2.1
299.05215	1.4
329.06497	2.4
379.08362	0.8
397.09100	1.3
398.43329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01872	0.9
62.63334	0.7
68.99790	0.9
69.03420	1.3
70.71774	1.3
70.72128	1.6
75.29361	0.7
79.01826	1.0
81.03394	1.1
81.07043	1.1
85.02885	1.8
91.05467	1.4
95.04926	0.9
97.40443	0.7
105.07014	1.7
107.04916	0.9
107.08580	0.8
109.02845	1.1
109.06530	0.8
111.37229	0.7
114.92399	0.8
119.04916	3.2
119.08617	0.8
119.41971	0.8
121.02857	11.5
127.97208	0.7
133.02802	0.8
135.04376	1.0
137.05962	0.8
141.01813	1.5
145.02835	2.7
147.04347	1.3
153.01753	0.8
161.09544	0.8
163.03891	3.9
165.01808	11.1
167.03375	3.6
177.01833	1.5
179.03351	0.7
181.04907	1.0
183.02908	5.1
187.03912	1.2
191.03368	1.3
195.02927	1.4
205.04895	0.9
217.04895	1.0
229.05042	0.8
239.07175	1.8
243.02957	0.8
255.06467	1.6
256.07242	2.6
261.03915	1.5
267.06500	6.4
270.05191	2.1
271.06061	5.0
279.06610	1.4
281.04749	0.9
281.08075	5.7
283.05981	100.0
284.06674	17.5
285.07477	1.2
293.07925	0.9
295.06015	11.5
295.09381	1.7
297.07520	6.1
305.08023	2.0
307.06015	2.2
308.06613	1.7
309.04062	1.5
309.07492	17.7
311.05606	1.9
313.07022	68.9
314.07346	2.0
321.07504	2.2
323.05713	1.4
323.09106	16.7
325.07211	1.5
333.07501	2.3
337.07007	33.3
338.07364	1.1
349.06989	8.7
351.08521	3.1
355.07590	1.0
361.07034	9.1
367.03586	1.4
367.08078	21.0
379.08072	16.1
397.09164	24.5
415.10184	18.0
433.11267	17.6
434.11533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1488
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01805	0.6
55.05453	1.2
67.05418	2.0
69.03365	0.8
69.80949	3.7
79.05399	2.0
81.06959	2.2
83.04881	1.9
83.08529	0.7
91.05386	2.5
93.06956	2.1
95.04898	0.8
95.08493	2.0
99.32299	0.6
99.81544	0.6
105.06939	1.9
107.08526	1.2
109.06433	1.5
109.10072	1.0
119.08515	1.5
121.06374	0.7
121.10062	0.7
123.11436	0.5
127.03821	1.4
131.08464	2.3
133.10023	1.3
145.06203	0.6
145.10057	1.1
151.07407	1.1
153.05351	0.6
155.07031	0.6
155.08434	1.5
157.10049	1.5
159.11584	0.6
163.03880	0.7
165.05464	8.0
165.06717	0.7
167.07051	0.5
169.10037	1.0
171.11635	0.7
178.06174	1.4
183.02863	3.6
183.11685	3.8
185.13171	1.0
186.01682	0.6
195.11603	0.9
197.13252	0.6
201.05318	0.6
211.02287	1.7
211.14664	0.6
215.06793	0.6
229.03261	0.9
233.07819	1.0
243.06393	0.7
271.06110	1.2
273.07489	1.1
277.19574	0.6
281.04391	0.6
283.05884	0.9
284.02869	0.7
285.07541	0.5
286.08191	0.7
289.07123	3.0
299.05411	2.4
301.06888	1.0
302.04312	0.6
309.03888	0.7
311.05392	2.4
313.03424	1.1
314.07846	1.4
317.06528	3.1
323.23431	0.6
325.06927	0.9
327.04892	3.1
329.06482	2.4
329.10071	1.1
331.08017	2.0
339.04889	3.0
341.02762	1.1
341.06540	1.7
341.20999	0.9
341.24661	1.0
342.07428	1.4
342.11148	0.7
343.08160	0.8
345.05966	9.0
354.07278	1.2
355.04398	1.0
357.05908	1.9
357.09668	3.0
359.07559	2.3
360.08411	3.4
369.05951	1.6
370.06738	1.4
373.05423	4.9
375.10690	2.7
379.90054	0.6
385.09232	7.8
387.06842	5.0
388.07678	4.6
399.10992	1.0
400.11414	1.0
403.10172	75.7
404.10669	4.3
415.25739	0.8
417.11673	5.0
418.12482	11.4
433.14877	100.0
433.26990	5.5
434.15152	6.5
434.27798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
55.01866	26.3
55.05504	34.3
57.03430	12.4
57.07071	8.3
59.04980	3.8
61.02919	8.3
65.03946	6.6
67.05491	42.8
68.99793	16.5
69.03421	81.6
69.07059	40.2
69.65149	3.8
71.04993	31.7
71.43967	7.5
74.26765	4.4
79.05480	50.6
81.03410	51.2
81.07047	78.3
83.04971	17.6
83.08617	13.2
85.02899	57.7
85.06511	5.7
87.00819	19.0
91.05469	53.0
93.07038	66.4
95.04952	39.8
95.08015	8.2
95.08592	68.7
97.02881	32.0
97.06512	16.0
97.10172	10.2
99.04473	4.3
99.08089	8.6
103.03949	6.0
103.05438	8.6
105.01840	8.9
105.07024	84.9
105.07667	7.9
107.04948	17.2
107.08589	65.2
109.02856	10.3
109.06520	16.1
109.10152	53.4
111.04442	17.0
115.03925	15.9
115.05438	8.4
117.06982	24.8
118.46647	3.9
119.04954	11.1
119.08574	98.5
121.06512	20.0
121.10137	55.1
123.04453	15.2
123.08059	20.5
123.11678	27.3
125.02327	4.7
125.09608	14.3
127.03934	6.2
127.11166	14.6
128.06190	9.6
129.01836	11.4
129.06982	34.4
130.07780	7.7
131.04929	11.6
131.08537	51.7
133.06502	17.9
133.10123	45.2
135.04419	5.4
135.08044	19.7
135.11681	22.7
137.05981	12.7
137.09625	13.1
137.13222	6.5
139.03835	4.7
139.07527	5.3
141.06967	16.5
142.07759	27.5
143.08554	55.5
144.09387	5.4
145.06505	15.3
145.10110	70.8
146.07445	4.1
147.08020	14.0
147.11656	40.5
149.09592	13.0
149.13275	10.2
151.07509	6.7
151.11177	10.2
153.07021	5.5
154.07771	7.6
155.08519	27.8
156.09305	18.6
157.10112	73.6
158.07237	4.5
158.10872	7.3
159.02904	9.6
159.08069	23.0
159.11681	74.0
161.05923	7.4
161.09598	20.6
161.13303	16.6
163.07520	5.9
163.11269	10.7
165.07016	8.8
165.09142	9.1
167.07021	29.3
167.08562	16.3
168.09303	7.8
169.10123	33.8
170.10818	8.2
171.08041	13.5
171.11667	62.6
173.09637	26.5
173.13254	39.5
175.07510	7.3
175.11182	20.1
175.14772	9.6
177.09038	4.7
177.12738	7.4
179.08566	9.6
179.10678	5.4
180.09380	7.3
181.04890	20.3
181.10150	15.1
182.10739	10.7
183.08093	6.6
183.11642	29.9
185.09663	19.8
185.13251	32.2
187.11179	23.6
187.14864	17.5
189.09053	15.3
189.12755	13.2
189.16368	7.0
191.10660	5.8
191.14360	5.0
192.09236	5.8
193.10172	8.0
195.08003	8.9
195.11624	26.8
197.09624	9.1
197.13251	17.7
199.11176	11.6
199.14833	15.8
201.03990	4.4
201.12744	23.2
201.16348	34.9
203.10661	8.6
203.14330	5.8
203.17982	8.6
204.50562	4.6
207.11722	15.0
208.12375	7.5
209.13226	15.6
211.11179	11.3
211.14812	13.5
213.12724	22.0
213.16374	29.1
215.14351	10.4
215.17908	25.2
217.12115	6.1
217.15906	5.3
219.11644	6.5
223.14774	12.5
225.12799	33.0
225.16351	13.0
227.14285	10.3
227.17982	14.4
229.15793	9.9
231.13872	4.6
231.17363	8.8
233.13327	6.5
233.19096	5.9
237.12744	6.2
239.14310	9.2
239.17952	8.1
241.15919	22.9
243.13770	20.2
243.17336	24.0
251.09222	11.4
251.14453	6.7
253.15990	6.1
255.13805	7.8
255.17407	7.7
257.19019	14.5
261.18527	6.5
265.19614	6.6
269.19025	9.7
277.35370	4.4
283.20575	9.8
287.05386	7.5
287.20068	10.4
293.18933	14.3
301.21686	5.7
311.19989	69.1
319.11328	5.4
323.20065	5.2
329.21094	62.6
341.21198	25.4
347.14819	6.2
389.23407	7.5
397.19855	4.9
415.20752	39.0
415.32132	8.4
433.15497	11.9
433.21906	100.0
433.26968	7.1
434.22556	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	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.38441	1.8
55.05505	16.6
57.03429	10.4
57.07061	3.7
64.34707	1.7
65.03925	3.3
66.31071	2.0
66.75361	1.8
67.05495	60.1
69.07060	13.3
69.42813	7.3
69.43235	8.7
79.05487	31.5
81.06578	3.6
81.07049	64.8
83.04976	1.7
83.08604	5.7
85.06528	4.1
91.05467	23.3
93.07034	46.0
93.07623	2.3
95.04943	4.3
95.08601	55.6
96.08968	1.7
97.06519	2.5
97.10126	2.5
98.98454	90.3
99.08118	2.1
100.26450	1.8
105.07011	17.8
107.08576	37.7
109.06510	2.1
109.10143	24.5
116.99499	2.7
117.07014	6.8
119.08572	15.0
121.10116	23.3
123.08060	2.0
123.11680	10.9
125.09667	1.7
131.08557	13.1
133.10103	14.8
135.11661	17.9
137.13167	2.0
145.10135	11.0
147.11682	8.4
149.13289	10.5
155.01048	8.8
155.08514	2.6
157.09915	2.1
159.11674	12.4
161.13234	7.4
163.14787	6.7
171.11694	2.0
173.02100	19.5
173.13289	7.6
175.14815	3.7
183.11652	2.1
187.14842	4.7
199.14734	3.3
217.19525	2.0
233.22702	2.5
243.21011	16.5
261.22113	50.5
262.22714	2.3
279.23273	2.7
317.24738	9.3
335.25778	100.0
336.25998	5.0
368.62726	1.8
380.71658	1.9
415.30087	2.2
433.31503	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	433.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44907	1.8
53.03932	4.0
53.68858	1.9
55.05507	13.0
57.03424	14.3
57.07057	4.1
67.05497	70.1
69.07065	15.1
69.27012	5.6
69.27434	17.1
74.65804	2.0
75.04449	2.5
79.05488	38.4
81.07046	69.0
83.08602	8.6
85.06524	3.0
91.05470	25.3
93.07027	59.1
95.04975	4.0
95.08031	3.6
95.08595	55.1
97.06523	3.6
97.10152	3.1
98.98457	100.0
99.08084	2.1
105.07021	23.2
107.08573	35.5
109.06511	2.6
109.10146	34.2
109.10863	1.5
111.08049	3.2
116.99552	1.8
117.06989	6.4
119.08542	15.7
121.09439	2.1
121.10149	26.4
123.11681	13.0
131.08551	16.7
133.10109	16.0
134.85065	2.0
135.11668	19.2
137.09657	2.0
137.13220	4.6
141.95146	1.9
143.08539	5.6
145.10101	18.1
147.11708	11.0
149.09657	3.8
149.13245	16.8
151.11098	2.2
155.00980	8.0
157.10110	6.5
159.11671	12.4
161.13237	9.9
163.14784	9.6
165.93092	1.9
173.02065	17.5
173.13205	6.6
175.14786	5.7
177.16333	2.8
183.11664	2.9
183.33955	2.4
185.13240	3.5
187.14748	7.9
193.10089	2.0
197.13173	3.1
199.14771	2.3
201.16306	5.2
217.15756	2.2
233.22699	2.3
243.21077	16.3
252.59576	2.1
261.22110	50.0
279.22977	3.6
298.03934	2.1
317.24725	8.0
335.25769	92.1
336.26083	3.5
432.11731	2.7
433.31464	14.6
446.10339	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	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01863	9.4
55.05504	32.2
56.04221	1.1
56.26038	1.2
57.03431	8.3
57.07051	1.7
62.17782	1.1
64.28748	1.1
65.03912	3.5
67.05496	39.6
69.03407	5.0
69.07056	11.9
69.58325	1.0
70.12566	3.3
70.12978	2.2
71.04967	3.9
77.03934	1.7
79.05485	47.0
81.03413	9.4
81.06574	2.2
81.07044	39.3
82.07362	1.4
83.04973	7.5
83.08611	15.9
84.64540	1.1
85.02882	2.7
85.06488	1.7
86.12933	1.2
91.05473	44.2
93.06472	2.3
93.07033	38.2
95.04362	1.7
95.04958	31.1
95.08592	21.6
97.06504	6.2
97.10163	22.2
99.08073	2.4
103.05457	2.0
105.07021	31.7
107.04937	17.7
107.08568	21.1
109.02798	1.4
109.06500	8.7
109.10141	12.5
109.54791	1.4
111.04433	1.7
111.08059	3.7
115.05421	4.0
115.97175	1.2
116.06222	1.4
117.07001	20.0
119.04919	3.2
119.08560	17.0
121.06483	16.7
121.10126	17.7
123.04438	1.4
123.08043	7.6
123.11646	2.2
125.05953	1.3
125.09612	14.5
128.06218	5.8
129.05492	2.2
129.06995	22.6
130.07753	1.7
131.04918	13.2
131.08548	29.9
133.06467	10.0
133.10112	10.0
135.08037	9.7
135.11668	4.4
137.05948	2.2
137.09622	2.8
141.06978	10.8
142.07689	2.2
143.08522	13.3
145.05385	2.0
145.06465	27.2
145.10115	14.7
147.08047	8.2
147.11658	4.1
149.09593	21.2
149.13182	1.2
151.07510	3.3
151.11096	2.7
153.05380	1.2
153.06932	1.2
153.09111	1.2
154.07751	3.3
155.08545	10.0
157.06442	3.9
157.10065	6.8
159.08052	9.6
159.11671	9.6
161.05901	2.0
161.09544	5.4
161.13255	3.6
163.11119	6.8
165.06984	1.5
167.08557	5.2
169.06473	2.1
169.10101	13.7
171.08017	4.7
171.10217	2.3
171.11639	18.7
173.09616	7.2
173.13255	3.2
175.11183	4.5
177.12711	3.3
179.08472	2.4
181.10089	4.4
182.10826	1.5
183.08087	2.0
183.11641	4.2
185.09589	4.8
185.11734	1.4
185.13177	5.8
187.11171	7.7
189.09242	2.9
189.11165	11.4
189.12747	13.7
191.08658	1.3
191.10550	2.0
193.10129	2.3
193.12239	2.8
195.07980	1.4
195.11690	3.9
197.09601	4.0
197.13248	2.2
199.11162	3.5
199.14938	2.0
201.12714	3.5
203.10623	3.1
203.14343	1.5
205.10512	1.9
205.12186	7.6
207.11775	1.6
207.13783	1.8
209.09550	1.7
209.13242	3.0
211.11214	8.2
213.12727	4.2
215.10710	3.0
215.14198	2.9
221.13223	1.8
223.11270	2.1
223.13336	4.1
225.12694	4.4
227.10730	1.8
227.12779	5.5
229.12251	3.5
237.12747	1.5
239.14206	1.9
241.15952	1.4
243.13794	5.7
249.14972	1.9
257.15408	1.9
261.14838	1.6
267.15897	3.5
273.14810	3.2
275.16647	1.3
277.19473	2.5
295.20581	4.4
305.18924	2.5
306.17352	1.3
313.21603	6.8
317.17606	1.9
323.19980	21.9
331.22809	1.7
335.18552	1.6
341.21078	100.0
342.21298	3.5
359.22223	9.5
377.23206	2.3
379.22589	1.6
387.25641	1.7
397.23511	3.5
415.24719	37.7
416.25061	2.4
433.25778	70.9
434.26126	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	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01868	7.6
55.05256	1.6
55.05506	27.3
57.03433	6.8
57.07055	1.3
59.05001	1.4
65.03922	1.8
67.05162	1.9
67.05497	31.2
69.03428	5.1
69.07054	10.1
69.85155	5.5
71.04967	3.1
72.82813	1.1
77.03918	1.4
79.05040	2.2
79.05487	40.5
81.03406	7.0
81.07046	28.9
83.04966	4.7
83.08613	14.2
85.06525	3.0
91.05470	32.3
93.07033	31.9
95.04957	27.1
95.08599	15.5
97.06506	4.4
97.10154	21.1
98.20720	2.3
103.05475	2.2
105.03372	1.5
105.07019	28.0
107.04935	13.9
107.08587	18.7
109.06496	4.8
109.10145	5.5
111.08054	3.0
115.05464	3.8
116.06239	1.3
117.07024	15.4
119.04924	3.8
119.08559	13.1
121.06485	15.9
121.10129	14.7
123.08050	4.4
125.09611	16.6
128.06200	4.0
129.05432	2.6
129.06984	23.8
131.04910	10.5
131.08562	24.5
133.06456	8.4
133.10120	8.9
135.04486	2.4
135.08017	9.9
135.11676	3.0
137.09584	1.7
141.06976	10.0
142.07751	1.8
143.08531	13.3
144.95081	1.1
145.06462	20.7
145.10095	12.0
147.08037	7.8
147.11649	3.9
149.09610	21.9
151.07468	1.4
151.11115	1.0
153.07007	1.7
153.09117	2.2
154.07712	2.8
155.08533	8.8
157.06477	4.1
157.10149	5.4
158.07413	1.3
159.04059	1.1
159.08005	7.5
159.11676	9.1
161.09616	3.2
161.13239	3.8
163.07446	1.1
163.11172	4.7
167.08557	2.8
169.10094	13.3
171.08055	3.8
171.10225	1.9
171.11646	18.5
173.09586	7.1
175.11188	2.6
177.12746	1.7
179.08553	1.2
181.10115	2.4
183.08035	1.9
183.11710	4.6
185.09610	3.6
185.13219	3.3
187.11128	8.9
189.09140	3.3
189.11171	12.2
189.12753	12.4
191.10699	1.4
193.10115	3.1
193.12119	1.9
195.11659	2.6
197.09622	6.0
197.13284	2.2
199.11183	3.9
201.12708	2.7
203.10748	1.9
203.14241	1.4
205.12218	7.2
207.11684	2.2
207.13712	1.2
209.13190	2.2
211.11147	7.3
212.11890	1.4
213.12709	3.8
215.10645	3.0
215.14267	1.3
221.13356	1.5
223.11292	1.4
223.13303	3.6
225.12753	5.1
227.12608	6.1
229.12206	4.8
231.13716	3.1
237.12674	1.4
239.14299	2.8
243.13713	5.1
247.13278	1.6
249.14844	3.5
257.15347	3.5
261.14850	2.7
267.15884	4.5
273.14825	3.5
275.16446	2.5
277.19391	1.7
295.20596	5.5
305.18903	3.3
313.21652	7.3
321.16910	3.5
323.20071	24.5
331.22403	2.0
341.21066	100.0
342.21381	5.0
359.22223	9.4
377.23309	1.7
379.22797	1.2
383.67068	1.3
397.23837	3.9
415.24762	39.2
416.25256	2.6
433.25803	62.1
434.26254	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	434.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53418	1.2
53.03927	2.3
53.69630	1.3
55.01866	8.5
57.03430	15.7
59.04974	1.5
61.02930	9.8
62.97073	1.3
69.03424	23.8
69.61172	9.1
71.01335	3.1
71.05002	2.4
72.04511	1.9
73.02910	25.7
81.03410	5.9
85.02895	100.0
87.04455	4.3
91.03942	3.3
97.02879	36.5
98.21481	1.9
99.04435	4.2
103.03925	2.4
105.07005	16.8
109.02876	7.8
115.03918	14.5
117.07009	2.4
121.02885	1.7
127.03900	27.1
132.06607	2.8
133.04950	18.6
133.06454	1.9
137.02318	4.5
145.04942	51.6
147.07985	2.0
150.07591	6.4
153.01794	2.8
163.05988	23.0
181.04851	1.6
183.02797	1.7
201.09064	1.8
223.05913	1.7
229.04959	2.8
230.91257	1.5
234.64418	1.3
241.07057	2.5
249.11217	1.8
257.04556	3.0
273.11285	1.9
285.03787	1.7
285.13275	3.1
303.04959	63.1
435.09171	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03431	18.6
57.91961	0.9
59.04982	2.9
60.04521	2.4
61.02911	3.8
69.03422	67.7
70.66524	3.1
71.01344	0.8
71.04974	1.1
73.02902	3.4
75.04472	2.4
81.03412	4.2
83.04958	1.2
85.02896	87.2
86.03239	1.2
87.04458	49.6
91.03931	2.5
91.05473	1.0
97.02881	66.3
99.04444	3.3
103.03906	2.0
105.07029	8.7
109.02868	5.0
111.04440	1.4
115.03920	84.1
119.08594	1.2
123.04417	1.4
126.05511	11.3
127.03916	14.1
129.07013	1.1
130.34761	0.8
133.04950	100.0
135.70833	0.9
137.06017	1.0
139.03885	1.0
140.28236	0.7
143.08536	1.1
145.04939	27.2
147.04401	1.5
147.08066	2.0
150.07603	12.8
161.05959	1.7
161.09663	0.9
163.06010	11.7
163.11986	0.8
165.01825	1.0
169.05009	1.5
171.08000	1.1
180.25586	1.0
187.05859	1.0
189.09123	2.6
195.02895	2.5
201.09142	2.0
207.10170	1.8
211.06273	0.9
219.02826	2.5
219.10091	1.6
223.06088	1.1
226.38336	0.9
231.02876	1.0
231.10223	0.8
241.07024	1.4
255.12221	1.0
259.08099	5.4
277.09229	3.0
285.07544	1.3
285.13303	2.0
295.10284	2.6
297.07587	1.2
303.04977	5.2
315.08658	1.1
339.08768	1.7
376.31598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0916
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01860	0.7
57.03432	3.2
61.02901	1.2
66.32763	0.3
67.05495	0.3
68.99786	0.8
69.03429	1.8
69.22952	2.4
71.01318	0.5
73.02907	6.9
81.03404	0.5
85.02899	4.4
86.03232	0.8
87.04458	0.3
95.04960	0.5
95.08587	0.3
97.02867	2.1
98.03186	0.3
98.21529	0.7
99.04417	0.3
105.07036	1.5
106.07352	0.7
107.04974	0.3
108.38228	0.3
109.02861	0.6
111.00761	0.7
115.03916	1.1
121.02826	1.4
123.04476	0.3
125.92415	0.3
127.03931	1.5
131.04884	0.3
133.04942	1.1
135.04420	0.3
137.02332	4.2
137.03311	0.6
145.04938	1.7
146.05244	0.5
147.04382	0.3
153.01823	5.7
155.73285	0.3
161.05975	1.1
163.03926	0.8
164.06351	0.3
165.01839	3.0
173.05981	0.7
177.05496	0.4
183.02895	0.9
183.04407	0.4
185.06042	0.4
187.03827	0.6
195.08037	0.6
201.05470	2.0
203.03308	0.4
207.10187	0.4
209.98636	0.3
213.05519	0.6
223.07562	0.6
229.04964	4.8
229.08591	0.5
235.07524	0.3
242.07249	0.3
247.05928	0.5
251.06847	1.4
257.04376	2.9
265.16428	0.3
267.06506	2.1
273.11084	1.7
274.04736	1.2
275.05145	0.4
279.06473	2.2
285.03848	1.5
289.08316	0.4
293.07953	0.8
297.07532	3.7
303.04956	100.0
304.05353	3.6
315.04956	1.5
315.08563	0.7
316.06296	0.4
321.07523	1.5
327.04816	0.6
333.07419	0.3
345.06094	1.3
351.08640	1.5
353.44113	0.3
363.08719	0.4
369.06253	0.6
381.05667	0.5
399.06168	0.5
399.10986	2.3
417.08209	0.8
435.09143	6.3
436.09787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.60688	0.2
53.03926	0.3
55.01844	0.7
55.05504	10.0
55.60571	0.3
57.03432	4.9
57.07045	0.9
61.02922	1.8
67.05472	0.5
68.99767	0.7
69.03399	0.6
69.07032	0.6
70.06549	0.9
70.73009	1.0
71.01319	0.3
72.08110	0.5
72.75330	0.3
73.02909	12.6
76.99769	0.3
79.05455	0.3
81.07021	0.5
82.06116	0.4
82.06571	4.0
83.04938	1.3
83.08608	8.7
84.08120	0.8
85.02872	0.7
85.06505	0.7
86.09684	0.7
91.05419	0.5
93.03374	0.4
95.04902	0.4
97.02847	0.4
97.06487	0.4
98.09637	1.2
100.07610	2.9
100.11244	29.2
105.06993	0.3
106.04152	0.3
107.04894	0.4
109.02882	0.7
110.06020	2.5
111.00758	0.9
111.04442	4.5
112.07569	1.4
115.03869	0.8
117.13815	0.4
120.08047	0.6
121.02856	1.6
123.04371	0.4
126.09161	1.4
127.03886	0.4
127.08640	1.2
128.06367	0.3
128.07071	3.2
129.05507	0.4
137.02325	5.0
137.03366	0.5
139.08652	3.5
140.07056	1.5
145.47156	0.3
147.04362	0.6
147.11649	0.5
149.02292	0.7
153.01799	4.4
155.04855	0.3
163.03867	1.0
164.14322	0.5
165.01797	2.9
166.15863	0.5
168.29576	0.3
173.05928	0.9
179.03419	0.5
181.04927	0.8
182.15387	18.4
183.02908	1.5
187.03886	0.6
191.03378	0.5
192.13904	0.6
195.02882	1.4
201.05466	2.2
203.03490	0.3
209.16464	15.4
210.14870	18.6
213.05365	0.3
219.02757	0.7
219.06551	0.3
223.10669	0.3
226.19099	9.5
227.17587	0.5
228.04166	0.4
228.15903	1.3
229.04927	4.4
233.08020	0.4
247.05917	0.7
257.04425	3.5
274.04669	1.4
275.05374	0.4
285.03885	1.6
299.05478	0.7
302.04211	0.6
303.04956	100.0
304.05319	4.5
308.26956	0.4
309.25327	0.8
315.04944	6.0
316.05548	1.2
317.00803	0.3
327.04852	1.6
329.06430	0.9
335.24292	1.7
336.22760	11.3
339.04849	0.6
341.06427	1.3
345.05960	4.1
353.06580	1.4
369.05984	2.2
375.06860	0.5
381.05920	1.2
399.07053	4.7
416.52008	0.4
417.07974	2.4
417.32166	2.1
435.09216	3.7
435.33264	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	435.0918
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01869	0.4
56.64865	0.2
57.03183	0.3
57.03435	4.2
61.02932	1.2
61.03193	0.3
65.03929	0.3
67.58579	0.2
68.82822	0.2
68.99793	0.7
69.03411	0.4
70.87054	0.5
73.02910	9.7
74.17147	0.2
79.71093	0.2
81.03371	0.2
85.02904	0.3
95.04984	0.3
97.02899	0.3
98.08616	0.2
104.62400	0.2
109.02863	0.2
111.00797	1.0
115.03912	0.4
117.07059	0.3
121.02864	1.1
123.04392	0.4
135.04399	0.3
137.02330	3.5
139.03874	0.3
145.06479	0.2
148.75549	0.3
149.02319	0.5
153.01823	4.5
155.04945	0.2
160.73085	0.2
162.07536	0.2
163.03900	0.8
165.01811	1.7
166.02547	0.3
167.06966	0.3
173.05977	0.6
181.04861	0.2
183.02867	0.7
183.04330	0.2
187.03929	0.5
195.02800	0.3
201.05467	2.0
205.04939	0.3
219.02832	0.2
219.06561	0.4
229.04935	5.1
247.05975	0.7
255.06381	0.4
257.04404	2.9
274.04770	0.8
285.03967	1.4
303.04962	100.0
304.05341	4.4
435.09103	0.7
457.37338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.26370	0.7
60.71859	0.6
65.03928	0.9
67.01849	1.6
68.99751	1.2
69.03412	1.8
69.85241	3.8
73.02909	1.6
79.05485	1.1
81.03399	1.1
81.07049	1.3
85.02897	2.7
91.05473	3.5
93.07021	0.8
95.04956	1.8
96.35858	0.7
97.02862	1.3
105.07027	0.8
107.04951	2.4
119.04940	9.8
120.04446	2.4
123.04411	3.7
137.05952	1.0
147.04396	36.6
148.04732	1.0
151.03896	1.3
153.01816	74.5
154.02151	1.3
163.03888	0.8
165.01797	1.9
167.07034	1.0
171.02937	3.7
171.04178	0.8
179.03339	0.9
181.04897	1.8
183.02914	0.8
195.02878	2.2
219.02768	0.9
229.04991	0.8
231.02823	1.0
231.06508	1.4
254.15277	0.8
255.06544	0.9
257.04608	0.8
273.07550	100.0
274.07907	4.9
285.04315	0.7
285.07764	0.9
303.04968	40.5
304.05298	2.8
347.02283	1.3
359.94855	0.8
435.08792	4.0
435.19241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.128
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03931	0.7
57.03424	0.4
65.03921	1.0
69.03416	2.8
69.45188	0.7
69.45593	2.2
73.02870	0.4
77.91758	0.4
81.03405	3.1
85.02882	1.0
91.05473	8.4
97.02884	0.3
100.11227	0.4
109.02847	1.2
113.62085	0.4
119.04929	20.8
127.03900	37.4
128.67650	0.4
142.32256	0.3
147.04390	100.0
148.04759	0.8
165.05461	2.9
181.04979	0.6
205.95251	0.4
291.08591	5.1
303.04926	1.3
309.09592	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.5
57.03431	15.7
63.50780	2.8
65.03918	2.3
67.05496	3.5
67.41804	2.2
68.99795	3.8
69.03426	16.7
69.87756	15.8
70.03736	3.1
73.02914	4.4
79.05457	2.8
81.03416	3.9
85.02896	36.2
86.03224	3.6
87.04454	10.8
90.98425	2.5
91.05448	14.6
92.61720	2.3
95.04956	3.3
97.02883	18.2
98.03181	4.6
99.04441	2.4
103.05466	2.6
105.06994	6.0
107.04957	8.8
109.02856	8.2
109.06478	2.6
115.03925	17.8
116.04292	3.0
119.04977	11.7
119.08494	2.3
120.18678	2.3
121.02866	19.9
121.06506	6.9
123.04439	7.4
125.41812	2.5
126.05520	5.3
127.03919	4.0
129.06976	4.4
131.04929	3.9
131.08606	3.2
133.04948	21.4
133.06470	3.4
134.05270	4.0
135.04420	5.8
135.08090	2.8
137.02321	7.4
137.05965	21.0
139.03920	3.2
141.76855	2.8
146.07216	3.2
147.04379	18.1
148.05112	4.7
149.05893	6.3
151.03941	3.0
151.07523	13.5
153.01822	11.1
157.06480	5.4
161.05960	66.2
161.09607	18.8
163.03899	11.5
163.06119	3.2
163.07510	6.6
165.01820	42.8
167.08612	3.7
171.02750	3.1
173.06024	3.0
175.03929	3.2
175.07568	6.5
177.01826	14.5
177.05476	3.7
179.03474	2.9
181.04913	6.5
181.06342	2.9
183.02838	29.1
187.03937	4.5
189.01854	3.6
189.09103	40.7
191.03363	21.2
195.02876	100.0
195.07988	2.7
196.03200	3.4
201.05486	4.9
205.04970	3.6
207.10153	59.9
215.03542	3.8
219.02858	46.9
229.05028	4.9
231.02896	29.8
233.04404	5.6
243.02896	5.9
249.03903	15.2
255.10129	3.9
257.04504	4.0
261.03879	25.0
273.07571	6.2
279.05026	4.6
285.04321	4.4
285.07532	37.3
287.12836	9.6
297.07748	18.4
303.04965	90.3
304.05295	5.6
313.14297	5.6
315.08688	14.2
317.00522	2.6
331.15372	5.7
339.08624	27.9
351.08603	21.5
363.08569	10.0
369.09616	3.5
381.09482	9.6
382.10516	3.3
399.10858	6.8
435.08707	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	435.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
65.03941	1.8
67.05495	0.5
69.03421	2.8
69.79354	2.0
79.05499	0.7
81.03405	1.5
81.07036	0.9
85.02892	0.7
91.05472	10.8
93.07050	0.8
95.04993	0.5
95.59574	0.3
97.02856	0.4
98.69549	0.4
105.07013	0.4
107.04937	1.8
107.08583	0.4
109.02866	0.8
117.07005	0.6
119.04930	24.5
120.05305	0.5
123.04335	0.5
124.05180	0.4
127.03902	55.5
128.04173	0.4
130.23170	0.3
131.08582	0.4
139.03922	0.5
145.06535	0.9
147.04391	100.0
148.04713	0.8
153.05417	0.5
161.05891	0.5
163.86066	0.3
165.05461	1.2
167.07043	3.2
171.06512	0.8
172.05156	1.0
173.05952	0.6
181.04953	7.4
187.07471	0.6
191.10593	0.4
201.05330	0.4
214.01625	0.4
233.08067	4.5
263.09055	0.8
281.15405	0.4
289.53522	0.4
291.08664	1.9
303.04800	1.4
309.09497	0.8
387.14297	1.1
399.14282	0.5
417.15424	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	435.2501
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05504	24.3
57.03444	10.4
57.07080	10.0
67.05494	69.6
69.07063	24.8
71.54369	9.2
77.20640	5.7
79.05483	30.8
81.07042	86.5
82.03567	5.3
83.04971	8.6
83.08613	16.6
87.60648	5.7
91.05466	21.7
93.07057	36.2
95.08597	71.7
97.10159	8.5
98.98459	72.9
105.07006	27.5
107.08568	23.8
109.06521	36.4
109.10155	32.8
117.06972	6.5
119.08590	23.8
120.47057	4.8
121.10150	20.0
123.11694	18.0
127.58088	4.6
131.08542	9.1
132.88321	6.0
133.10118	21.8
135.11659	11.3
137.09599	8.4
139.03880	6.7
143.08563	8.1
143.69447	5.1
145.10114	9.9
147.11673	10.8
151.07553	6.4
155.01082	14.0
157.10112	9.1
159.01328	5.5
159.11697	9.5
161.09663	7.5
161.13312	6.2
169.10147	9.0
171.11688	6.5
173.02127	15.7
183.11726	7.6
189.12891	5.5
195.11554	5.8
245.22639	12.5
247.08537	5.2
263.23752	20.2
267.63467	5.0
277.19589	10.0
279.23239	9.1
337.27332	100.0
343.22614	5.7
435.27927	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	435.2735
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03930	5.9
54.84739	2.3
55.01853	8.6
55.05257	3.0
55.05502	35.2
57.03421	12.6
57.07056	2.8
61.87376	2.4
65.03924	4.0
67.05494	54.9
69.03410	3.5
69.07059	21.3
69.47363	20.5
71.04974	4.1
71.21432	2.6
72.23815	2.3
79.05061	4.1
79.05483	50.2
81.03394	7.7
81.07044	56.6
83.04967	7.3
83.08612	12.3
85.06486	4.2
85.34839	2.4
91.04962	3.9
91.05473	46.5
93.07032	42.8
95.04952	76.8
95.08599	36.9
97.06502	9.4
97.10166	15.1
103.05420	3.9
105.07013	32.1
107.04932	30.2
107.08580	29.0
109.06496	16.1
109.10143	17.4
111.08044	4.8
115.05437	4.5
117.07017	22.8
119.08569	29.1
121.06485	21.3
121.10134	14.6
123.04416	3.5
123.08029	9.5
123.11649	2.7
125.09628	12.4
128.06171	6.0
129.07010	19.9
131.08556	25.9
133.06487	6.6
133.10091	18.4
135.08012	10.4
135.11667	10.0
137.05948	10.5
141.06966	8.2
142.07790	3.9
143.08531	14.9
145.06404	7.3
145.10117	23.6
147.08022	11.1
147.11650	6.6
149.09605	11.2
153.09029	3.3
154.07693	3.3
155.08580	13.8
157.06444	3.6
157.10103	13.1
159.07993	4.9
159.11636	14.2
161.09586	7.7
161.13197	3.8
163.11127	10.0
167.08496	5.1
169.10107	17.4
171.07938	3.6
171.11606	11.7
173.09595	4.0
173.11916	2.5
173.13229	6.9
175.11154	5.8
181.10092	8.9
183.11621	12.2
185.09628	2.5
185.13181	7.3
187.11212	5.4
189.09015	5.6
189.11180	6.5
189.12726	5.2
189.62206	3.0
191.14230	3.1
195.11681	8.1
195.46298	2.4
197.13202	8.8
199.11259	2.7
199.14835	4.6
201.12625	4.7
203.14259	3.3
205.12181	3.6
207.11783	4.3
209.13161	6.6
211.14813	7.6
215.14252	3.2
217.14137	3.3
223.13132	7.0
225.16328	2.9
231.13699	2.7
233.15276	3.3
245.15286	4.7
249.14839	3.0
307.20419	2.9
315.23199	11.2
325.21597	18.4
343.22617	100.0
344.22894	5.5
353.24551	3.4
361.23578	26.7
381.24127	5.0
391.24722	3.9
399.25174	7.7
399.32550	4.4
417.26199	42.7
417.32660	9.4
435.27228	54.9
435.32571	47.9
436.33148	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	435.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84413	1.7
53.03931	3.5
55.01872	2.7
55.05508	17.3
57.03427	3.3
57.07063	4.3
65.03924	4.4
67.05496	68.5
69.03414	2.2
69.07056	9.8
71.04996	3.2
75.02972	1.6
77.84184	1.9
78.46141	2.0
79.05054	2.7
79.05486	30.6
81.03416	4.3
81.07049	33.9
83.04982	10.9
83.08607	6.7
85.06542	2.7
91.05466	31.4
91.06001	2.3
92.51383	1.8
93.07027	34.3
95.04960	11.3
95.08598	39.4
97.02897	6.4
97.06546	3.7
97.10177	3.4
99.04433	2.2
105.07023	25.2
107.04933	2.6
107.08582	28.0
107.43002	1.7
108.42883	2.0
109.06523	5.5
109.10147	37.4
111.04457	4.3
111.08097	6.6
115.05420	2.7
117.07037	6.2
119.08580	24.3
121.06510	4.8
121.10152	13.7
123.04381	2.3
123.08064	5.1
123.11712	5.1
125.09673	2.0
128.06198	5.7
129.06984	10.9
131.08574	10.8
133.06461	2.1
133.10088	14.4
135.08070	4.4
135.11658	11.2
137.06003	3.0
137.09601	3.4
141.07001	5.2
142.07738	14.3
143.08514	13.5
144.09178	1.9
145.10086	13.4
147.08029	3.0
147.11655	15.5
149.13222	2.1
155.08553	6.2
156.09283	4.0
157.10110	57.1
159.11737	8.5
161.09689	4.2
161.13251	6.4
167.08627	4.5
167.14455	1.9
168.09442	2.9
169.10104	11.7
170.10817	4.0
171.08044	17.0
171.11679	20.0
172.12329	2.3
173.11737	9.0
173.13286	6.1
175.11208	2.2
179.08607	3.4
181.10181	8.3
182.10925	3.1
183.11685	13.7
185.09624	5.6
185.13234	11.9
187.11137	3.4
189.12732	3.7
192.09370	2.5
193.10068	10.4
195.11728	6.9
196.12469	4.0
197.13266	18.9
199.14980	5.1
201.12700	2.3
205.10132	2.0
206.10919	5.2
207.11743	7.6
207.13855	10.4
208.12518	5.2
209.13248	10.7
211.14812	7.5
213.16325	3.3
219.11586	2.8
220.12505	3.2
221.13217	8.6
222.13916	2.7
223.14824	15.2
225.16393	4.5
229.16064	2.6
234.13998	2.4
235.14900	4.8
237.12746	3.1
237.16414	5.5
239.14264	3.0
247.14835	2.0
249.16457	4.7
251.14337	2.2
251.17986	5.3
253.15935	3.3
261.16623	4.4
262.17108	2.7
263.18018	6.2
267.17664	2.2
277.19464	10.1
279.17508	3.0
279.21158	2.2
281.19067	1.9
289.19669	2.1
291.57050	2.1
294.19907	3.6
295.20648	3.9
318.23407	4.4
343.22714	3.1
391.26566	2.1
414.58221	2.0
417.27789	44.0
418.28284	4.9
435.28763	100.0
436.29129	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	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03936	3.2
55.01867	1.8
55.05493	5.9
57.07070	2.4
58.78299	1.5
63.85139	2.2
64.51485	1.5
67.05489	13.0
69.03435	1.7
69.07069	8.0
71.30885	2.6
73.23047	1.4
79.05485	6.8
81.07041	18.0
83.08602	2.5
90.07667	1.4
91.05483	13.8
93.07039	22.6
95.04958	5.2
95.08601	23.0
99.04452	2.6
105.07021	27.2
107.08585	34.6
109.06469	3.4
109.10124	22.2
117.06998	3.8
119.08563	34.3
121.06523	1.9
121.10132	19.2
123.08060	2.0
123.11713	12.2
125.05956	2.3
129.07037	1.7
131.08542	8.1
133.10110	100.0
135.07979	2.0
135.11673	39.0
137.13248	3.4
141.06732	1.6
143.08568	5.6
145.10091	14.9
147.08026	2.1
147.11641	25.5
149.09514	1.6
149.13271	5.4
153.05450	2.7
156.09299	1.8
157.10144	7.1
158.11006	1.9
159.11713	17.9
161.13225	13.0
169.10066	3.4
171.11708	7.3
173.13254	7.7
175.11227	1.7
175.14767	7.8
177.12653	2.6
181.10173	2.2
183.11630	2.4
185.13295	4.9
187.14798	6.2
189.12729	3.1
189.16351	5.0
195.11708	2.5
197.13283	2.2
199.14780	5.6
200.62918	1.8
201.16391	6.1
203.17900	1.7
211.14853	3.0
213.16418	4.6
217.19463	2.4
227.17850	2.5
229.19449	3.2
239.17926	2.4
241.19310	2.0
251.18083	3.4
253.19453	2.7
255.21149	2.1
265.19730	1.7
270.33643	1.7
348.99738	1.7
389.32083	4.2
417.31592	13.3
435.32675	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	435.3253
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
50.76171	2.7
53.03934	4.7
55.05498	17.9
57.07048	10.4
65.03928	3.4
67.05498	23.5
69.07061	29.8
70.99390	6.9
79.05486	27.4
81.07050	69.2
83.08585	12.7
86.69334	2.2
89.06008	3.6
91.05463	37.4
93.07030	66.6
95.04955	7.6
95.08591	72.2
97.10135	2.9
102.43047	2.7
105.07014	69.4
107.04891	2.2
107.07845	4.9
107.08578	100.0
109.06498	6.4
109.10143	48.4
109.46931	2.4
111.08057	2.8
115.05407	3.6
117.06978	9.9
117.07740	2.6
119.06053	2.3
119.08566	65.6
121.10125	90.6
121.11005	4.7
123.08076	5.0
123.11681	49.4
125.09608	2.5
129.06984	8.4
130.07755	2.6
131.08537	27.2
133.10115	80.0
135.11670	67.4
137.13243	19.6
141.06973	3.4
142.07736	7.1
143.08525	17.3
144.09312	4.0
145.10098	39.0
147.11655	43.4
149.09602	3.3
149.13243	29.2
153.05487	2.6
155.08527	6.5
156.09293	8.2
157.10109	32.6
158.10812	2.6
159.08025	3.1
159.11681	38.0
161.09596	6.1
161.13269	19.7
163.11183	4.4
165.08975	2.6
169.10077	10.2
170.10870	7.8
171.11696	17.8
173.09531	3.7
173.13235	27.2
175.11172	5.7
175.14801	45.1
177.12646	3.3
177.16374	28.4
181.10077	5.6
183.11638	10.0
185.13284	16.7
187.14809	8.5
189.16360	14.8
191.10664	5.2
195.11604	5.5
197.13211	15.2
199.11179	3.9
199.14795	35.2
200.15454	5.8
201.12646	5.5
201.16354	19.4
203.17957	7.8
207.11523	2.7
209.13257	4.7
211.14764	8.4
213.16316	11.2
215.17918	5.9
217.15828	9.6
225.16248	6.0
231.13655	3.0
237.16324	3.3
239.17870	4.3
241.15904	7.1
241.19389	3.5
243.13756	2.8
251.17798	3.4
253.19411	5.5
254.57584	2.5
257.19009	6.9
259.16843	8.9
267.21133	5.5
271.20380	4.8
281.22443	3.4
285.18451	8.2
285.21924	3.6
295.20493	6.0
299.19955	8.9
305.22583	2.6
311.20001	3.3
313.21530	6.9
341.10892	2.6
349.28622	2.9
389.32080	6.8
407.33054	10.2
408.91718	2.6
417.31287	11.8
432.96704	2.6
435.32510	57.6
436.32956	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3253
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03935	4.4
55.05509	11.7
55.61996	1.9
57.07066	9.2
65.03928	3.0
67.05499	25.2
69.07063	17.2
69.23240	8.5
69.23669	12.7
77.03903	2.3
77.91623	1.6
79.05491	19.4
81.07048	38.4
83.08601	6.7
91.05465	26.9
93.07030	44.6
95.04958	5.3
95.08596	53.8
97.06535	3.4
97.10165	4.0
101.36687	2.0
105.06390	2.1
105.07018	51.3
107.08582	45.7
108.97847	1.7
109.06474	3.5
109.09429	3.7
109.10145	44.2
111.08054	5.2
115.05421	3.1
117.06997	18.1
119.08570	55.5
121.06496	2.6
121.10138	39.2
123.08026	2.4
123.11684	9.7
124.43967	1.9
128.06258	3.3
129.07016	11.8
130.07787	2.4
131.08553	31.6
131.40805	2.1
132.09367	2.9
133.10114	55.5
135.08075	4.5
135.11668	20.0
137.13249	3.4
141.06984	3.5
142.07785	7.1
143.08540	23.2
144.09340	6.6
145.10110	65.9
145.11261	3.4
147.08041	3.7
147.11667	32.0
149.13286	7.2
155.08557	7.7
156.09309	5.6
157.10098	27.2
158.10909	7.4
159.08066	3.5
159.11679	81.6
160.12431	5.5
161.09616	5.2
161.13232	33.4
163.14845	5.7
167.08504	2.2
168.09401	1.9
169.10092	15.5
170.10880	3.8
171.11644	26.7
172.12473	5.4
173.09634	5.2
173.13269	25.1
175.11203	3.6
175.14792	15.3
177.16441	6.1
181.10081	4.4
182.10841	3.1
183.11668	17.9
184.12503	6.7
185.13252	26.9
187.11252	3.1
187.14806	31.1
189.12782	3.4
189.16373	14.1
191.17917	3.5
193.10106	2.1
195.11746	4.3
196.12473	2.4
197.13275	15.6
199.14798	31.2
200.15572	2.9
201.16356	57.0
203.14307	2.9
203.17937	31.7
205.15820	2.1
207.13702	2.2
209.13329	6.4
211.14835	8.4
213.12782	4.7
213.16299	17.5
215.14354	6.6
215.17972	7.7
221.15437	2.4
223.14774	6.8
225.16347	9.8
226.17114	2.3
227.17966	9.7
229.15970	2.6
229.19566	3.7
231.13808	3.8
233.15428	6.6
235.17038	2.3
237.16408	6.8
239.17999	10.1
241.16093	2.1
241.19484	2.7
243.17490	1.9
245.15340	4.5
247.16838	2.4
249.16267	2.1
251.17970	6.6
253.19560	6.8
259.16962	3.9
265.19366	3.7
267.20990	5.2
273.18268	1.9
279.21155	7.0
280.60062	1.9
281.22757	3.5
295.24463	2.7
303.14334	1.9
307.24100	3.2
321.25607	2.8
327.23160	4.4
335.27264	4.9
336.28104	8.7
351.22739	2.0
379.26212	4.4
389.31961	2.5
392.26880	4.8
417.31467	4.5
435.32571	100.0
436.33017	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3464
Annotation	amomol A
Peak:m/z	Relative Intensity
50.55731	0.7
55.01861	1.0
67.05479	1.1
69.07055	1.0
71.52940	1.2
81.07043	0.9
83.08634	1.0
89.06002	0.7
95.08599	1.2
99.04435	2.9
109.10134	0.8
111.04433	2.4
112.79934	0.7
124.15430	0.7
125.05967	9.6
129.77460	0.6
133.08598	0.9
141.05385	4.5
153.05446	100.0
154.05757	2.6
272.95444	0.9
282.85947	0.9
392.75101	0.8
417.33551	35.0
418.33987	3.0
435.34610	6.7
436.34540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51061	1.2
55.01851	2.0
57.03413	4.7
69.03409	2.4
69.07047	1.3
69.69341	6.0
70.06568	5.2
75.04469	3.0
79.05452	2.7
81.03401	2.1
81.97234	1.0
85.02875	4.6
91.05432	2.2
97.02895	2.2
103.05457	2.9
105.07009	21.7
107.04934	4.7
107.46105	1.2
122.03559	1.8
127.52090	1.3
133.06473	47.6
135.04442	1.7
137.05952	100.0
138.06316	2.6
147.04370	3.3
149.05925	1.4
151.03914	1.1
163.03889	2.0
163.07523	4.9
165.09093	32.3
175.07564	3.6
177.05476	1.4
181.08453	1.8
183.08580	2.4
183.10130	24.9
217.01587	2.0
219.13458	1.2
221.11719	3.2
239.12689	4.0
257.13800	49.4
310.90738	1.2
344.05154	1.4
347.87329	1.3
381.66910	1.2
436.16040	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	5.6
69.25130	3.3
69.25523	16.4
75.04491	2.9
79.05485	2.8
85.02897	2.9
87.10967	1.3
91.05477	1.9
91.48032	1.5
97.02859	2.0
103.05421	1.8
105.07009	24.9
107.04936	3.2
131.04993	1.4
133.05440	1.9
133.06468	58.3
137.05962	100.0
138.06288	2.8
150.06879	1.5
163.07529	3.5
165.09096	38.4
166.09441	1.8
175.07561	4.5
181.08591	1.8
183.10165	33.1
188.64420	1.7
203.10681	3.6
212.08958	1.5
221.11626	4.3
239.12715	4.3
257.11072	3.1
257.13815	66.0
258.14099	1.8
284.62283	1.5
298.19019	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	437.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.4
66.15425	0.8
69.03389	1.0
71.54336	1.0
71.54742	0.8
73.46853	0.8
79.05469	1.8
83.04969	2.1
84.04491	2.2
85.02915	1.9
89.03899	10.1
90.18379	0.8
95.04954	1.7
97.02820	1.3
98.97558	2.9
101.00812	0.7
107.04939	3.4
111.04399	1.9
116.98591	1.8
117.03374	12.8
119.01897	3.8
121.02855	2.0
123.04404	1.0
134.99637	0.9
135.03368	1.3
135.04395	26.5
137.02977	1.6
139.03868	2.9
143.00142	1.5
145.01611	1.1
145.02751	15.9
147.04320	1.1
158.99652	1.3
161.01189	1.6
162.05496	1.0
163.03883	100.0
164.04210	2.7
165.64964	0.8
169.03442	2.0
171.05013	1.0
172.21478	0.7
177.00677	1.2
179.03444	0.9
182.52425	0.7
185.01128	2.5
185.02838	1.7
185.06493	0.7
187.04500	4.0
189.00688	1.3
193.03474	0.8
195.03278	0.8
195.05058	1.8
203.02112	2.5
209.02960	1.3
211.04510	1.1
213.06033	1.4
215.03877	1.2
221.02931	40.2
222.03110	1.6
229.05632	1.5
237.02614	1.1
239.03998	9.4
244.04483	1.1
245.03052	1.1
245.09033	1.4
247.04439	1.4
257.05032	3.3
263.04056	3.2
263.10205	1.7
271.04459	13.9
273.06021	1.7
275.06165	4.7
279.62460	0.9
287.03928	2.7
289.05612	6.5
295.04156	0.9
297.05792	1.1
299.03839	3.8
303.07440	0.9
312.07101	1.1
313.05423	2.3
315.03381	1.0
317.05014	2.6
323.03821	1.1
331.06607	5.9
333.04739	0.9
341.05072	0.8
349.07568	5.5
359.06009	3.2
372.09015	1.0
377.07132	40.9
378.07126	1.8
395.08289	9.7
418.09793	2.4
419.08386	1.4
427.74875	0.9
437.09116	8.4
437.15756	4.6
455.09912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1436
Annotation	Phloridzin
Peak:m/z	Relative Intensity
53.03930	1.3
55.01863	1.0
55.05497	0.9
55.73271	0.6
59.44175	0.7
61.02898	0.7
67.05479	1.4
69.03403	0.7
71.04990	0.6
71.16702	1.5
79.05469	1.8
81.03408	1.2
81.07039	2.2
83.04968	0.9
85.02881	4.5
91.05462	1.6
93.07036	2.3
95.04919	1.9
95.08601	0.8
97.02868	1.9
97.06498	0.9
103.03922	0.9
105.07007	1.4
107.04939	100.0
107.08577	1.5
108.05268	2.0
109.02866	1.1
109.06493	0.6
109.10150	0.8
111.04431	0.7
117.07046	0.6
119.04992	0.8
119.08566	1.6
121.06479	2.4
121.10130	0.9
123.04427	1.0
127.03899	2.0
131.04898	2.0
131.08551	1.3
133.10095	0.9
135.04390	1.0
137.06065	0.9
139.03883	1.5
145.10205	0.7
147.04431	1.6
147.07912	0.8
149.05965	6.3
151.03859	3.6
151.07553	0.8
153.01790	1.2
159.11746	0.9
163.03874	2.3
165.05408	1.2
165.09167	1.0
169.04971	4.2
170.53453	0.7
173.05972	3.3
181.04962	3.3
181.08441	0.7
181.92053	0.6
189.05469	1.0
191.03337	0.8
193.04932	5.4
205.04964	2.5
211.05988	3.6
215.07051	1.5
217.04839	0.8
235.05919	4.2
247.06050	1.9
259.06064	2.7
275.09140	8.5
277.07053	0.9
287.09149	3.7
299.09097	3.4
317.10260	4.8
341.10092	5.5
353.10092	5.2
362.16370	1.4
363.17075	1.0
365.10239	2.9
383.11002	1.2
437.21448	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01862	1.1
69.81928	0.7
69.82339	1.3
73.02907	0.4
79.05472	0.9
81.65334	0.3
85.02889	2.0
86.65527	0.3
95.04961	1.3
95.23241	0.3
97.02896	0.3
103.03946	0.8
106.13644	0.4
107.04941	100.0
108.05276	1.7
109.02886	0.6
121.06503	0.7
123.04406	1.1
127.03852	0.4
131.04951	0.5
137.05991	0.5
139.03867	2.5
147.04362	0.7
149.05966	2.0
151.03888	4.8
153.01831	0.4
159.04527	0.3
163.03871	1.8
165.05424	0.8
169.04944	0.7
171.04399	0.6
173.05954	0.8
175.03876	0.6
181.04926	4.4
187.03926	0.5
189.05498	0.5
193.04939	7.1
205.04953	1.6
207.06572	1.9
211.05997	4.3
213.05440	0.6
217.04984	0.7
229.04967	1.1
231.06587	0.4
235.05966	6.8
240.37468	0.4
241.04950	1.1
247.05959	3.4
259.05954	2.6
275.09189	3.0
277.07050	1.4
287.09119	5.0
295.08084	0.8
299.09174	3.5
311.09232	0.5
317.10172	6.0
335.09082	0.5
341.10135	8.0
353.10153	6.8
354.10410	0.6
365.10117	3.5
371.11285	0.5
383.11246	2.0
401.12140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.144
Annotation	Pterosupin
Peak:m/z	Relative Intensity
50.88083	0.4
53.03934	0.8
55.01856	1.0
57.03424	0.4
68.99778	0.6
69.03413	0.9
70.80029	1.0
70.80372	0.6
73.02901	0.6
78.82477	0.4
79.05468	1.3
81.03401	1.0
83.04961	0.4
85.02890	2.4
86.09674	0.5
91.19846	0.4
95.04955	1.5
95.08533	0.5
97.02917	0.5
99.29266	0.4
103.03909	0.9
103.60321	0.4
107.04942	100.0
108.05279	1.3
109.02869	0.9
118.94615	0.4
121.02861	0.5
121.06470	0.5
123.04426	1.0
127.03915	1.0
131.04907	1.1
139.03912	2.0
147.04411	0.9
148.77457	0.4
149.05951	1.5
151.03880	3.7
153.01840	0.6
159.86569	0.4
161.05885	0.4
163.03885	2.0
165.05461	1.1
169.04964	1.1
173.05994	0.5
181.04948	4.5
187.03929	0.5
189.05527	0.5
193.04950	7.7
201.05577	0.4
205.04947	2.4
207.06577	1.8
211.06033	4.5
213.07712	0.4
217.04933	1.2
229.05029	1.1
235.05971	6.3
241.04881	1.2
247.06007	3.6
259.06012	2.9
272.11353	0.7
275.09189	1.8
277.06992	1.8
287.05496	1.3
287.09152	4.5
287.13867	0.8
295.08200	0.7
299.09119	4.2
305.05435	1.0
311.08621	0.5
317.10187	6.2
335.09073	0.9
341.10226	7.2
345.12970	0.4
353.10190	8.0
365.10178	3.6
371.11383	0.8
383.11386	1.6
401.12173	0.6
425.14676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16537	2.2
55.05508	2.7
57.83072	2.4
59.06124	3.9
60.04519	4.1
65.03924	6.9
67.05477	9.3
69.03403	5.2
69.42443	24.0
70.06582	6.3
81.03373	2.9
83.04984	16.5
83.06085	10.6
84.04497	86.3
85.02888	7.5
91.44535	2.4
91.65326	2.6
91.70686	2.7
93.03402	7.6
95.04955	7.4
102.05486	12.1
103.05453	2.7
107.04952	6.0
111.04440	23.6
115.05499	3.5
117.03378	3.0
123.04443	5.9
126.05486	9.8
129.05481	5.4
130.06497	4.8
131.04976	4.7
134.03593	4.8
134.06006	4.6
135.04404	9.6
139.03883	10.0
142.98042	2.3
143.04918	9.5
145.02913	2.9
145.06456	7.1
146.05991	9.2
147.04391	8.6
148.07556	4.9
151.03835	3.2
157.04988	6.3
157.06473	3.4
158.05998	7.7
159.06729	5.3
160.07602	5.4
161.05969	14.6
162.03156	4.2
162.05478	21.0
162.06648	3.9
163.03886	32.3
163.06134	3.5
164.03319	3.3
164.07036	8.0
165.07820	6.3
172.07532	7.0
173.05898	2.7
173.96231	2.3
174.05499	7.5
174.09114	3.3
175.03889	3.2
175.06187	3.8
175.07561	8.4
176.07027	30.6
177.05414	3.3
177.07808	6.5
178.04939	2.8
178.08632	31.3
182.05841	2.8
184.03915	3.5
186.05540	9.0
187.03917	5.6
187.08806	3.2
188.09344	4.2
189.10309	3.1
190.08694	4.3
199.08669	10.2
199.98053	3.0
200.07126	15.9
201.10164	5.6
202.04961	24.0
202.08681	11.2
203.08148	9.4
204.06516	22.5
205.07286	9.5
217.09680	40.4
218.08133	9.9
220.06125	7.5
222.07619	8.4
227.08032	15.3
228.06686	13.1
245.09201	54.0
246.07632	5.7
263.06387	2.8
263.07123	3.3
263.10233	53.0
263.12869	4.4
302.30704	3.0
391.14978	14.8
396.12903	5.4
397.13617	10.5
410.14108	5.4
419.14728	6.8
437.15549	100.0
437.21555	4.8
438.15723	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	437.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.05503	10.7
57.03412	2.0
57.07071	2.0
65.03961	1.8
67.05495	28.8
69.07053	11.2
69.56778	10.0
69.57224	2.4
72.39848	1.3
76.63577	1.4
79.05479	13.5
81.07040	21.6
83.04986	1.9
83.08611	4.8
91.05470	15.2
93.07027	27.4
95.04951	4.7
95.08589	100.0
95.11446	1.4
97.06523	2.5
97.10192	2.8
99.04468	1.6
105.07014	26.9
105.07671	2.8
107.08570	29.3
109.06506	5.1
109.10133	23.3
111.04424	2.3
111.08053	5.7
113.05972	1.7
113.09637	1.4
115.05453	3.3
117.06999	6.9
119.08549	21.6
121.06512	4.4
121.10120	23.3
123.08046	10.3
123.11708	7.5
128.06198	3.9
129.06969	7.4
131.08522	19.6
133.08633	1.7
133.10114	29.4
135.08043	4.0
135.11656	8.8
137.09584	2.4
137.13225	1.7
139.07518	3.3
141.06940	2.2
141.09131	5.5
142.07777	7.7
143.08530	17.6
145.10095	19.1
147.08035	2.8
147.11705	6.8
149.09554	2.3
149.13229	6.9
153.06961	2.9
154.07730	1.9
155.08508	14.2
156.09286	9.2
157.10088	23.5
158.10858	3.1
159.11655	25.6
161.09723	2.1
161.13231	7.5
163.11183	3.0
165.07047	4.2
166.07730	5.0
167.08530	9.4
168.09181	3.1
169.10074	14.7
170.10901	2.9
171.11673	21.8
173.09612	2.9
173.13278	6.8
175.11157	3.3
175.14815	3.3
177.12645	3.7
179.08583	11.7
180.09293	6.9
181.10089	24.7
182.10849	5.5
183.11650	14.7
185.09647	2.0
185.13231	15.2
186.10329	1.6
187.11064	2.3
187.14774	4.9
189.12708	2.6
193.10080	11.6
194.10843	8.8
195.11674	20.6
196.12514	7.3
197.13229	10.6
199.14822	5.1
201.12767	1.9
201.16309	1.8
203.14252	2.1
207.11650	11.5
208.12428	8.7
209.13240	24.6
210.13985	3.3
211.14787	19.8
213.16338	3.1
217.15894	2.0
221.13283	4.9
221.15352	1.8
222.13974	6.0
223.14796	23.7
224.15530	10.5
225.16411	10.5
227.14223	2.1
227.17955	2.1
229.15878	4.6
233.13214	2.0
235.14766	7.2
235.16943	2.6
236.15527	2.1
237.16368	36.4
238.16930	1.9
239.14651	1.6
239.17953	3.4
241.15791	1.9
249.16357	3.1
250.17041	1.6
251.17909	9.4
261.16357	1.8
263.17871	10.3
265.19601	4.6
269.19049	2.2
277.19608	2.6
278.20239	17.0
279.21042	10.5
299.19986	2.5
343.22672	1.8
393.27502	2.0
419.29340	99.2
420.29773	7.9
437.30161	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
57.07062	5.5
67.05502	13.3
69.07059	16.0
70.75152	7.2
71.18266	2.4
73.89330	2.5
74.80083	2.6
79.05473	19.6
81.07044	37.3
83.08606	4.9
84.27199	2.8
91.05462	19.4
93.07040	44.2
95.04974	3.6
95.08598	29.0
97.06529	4.7
105.07009	29.0
107.08597	56.4
109.06535	3.4
109.10137	27.8
117.06989	6.0
119.08570	32.6
121.06520	3.0
121.10133	74.8
123.07993	2.8
123.11703	25.8
128.11270	2.5
131.08565	12.0
133.10103	28.5
135.11674	58.5
137.13214	9.7
143.08540	10.8
145.10083	24.1
147.08084	3.0
147.11667	27.8
149.13246	19.9
154.44016	2.6
156.09366	4.3
157.10110	13.5
159.11665	22.5
161.09604	4.2
161.13269	15.9
162.40681	2.4
169.10147	3.8
171.11687	14.1
173.13240	15.4
175.11121	3.8
175.14839	13.8
177.16342	5.2
181.10159	3.4
183.11737	7.3
185.13260	9.1
187.14827	11.5
189.12769	4.3
189.16412	11.6
189.74590	2.9
193.10068	2.6
195.11748	5.5
197.13208	6.7
199.14822	15.1
201.16385	15.5
203.14290	2.8
203.17963	6.4
207.07266	2.7
211.14836	4.2
213.16341	9.1
215.14365	3.9
215.17944	11.0
217.15869	7.3
223.14786	3.3
225.16202	3.9
227.17923	8.6
239.17905	7.2
241.15857	3.5
241.19493	8.2
251.17924	3.5
253.19592	3.9
255.21104	10.2
263.17957	3.5
267.20718	3.6
269.18842	3.2
269.22617	6.4
279.21121	6.7
283.20569	5.9
283.23828	3.4
285.21985	3.7
297.22086	16.3
349.28888	3.7
391.33493	9.9
401.31879	8.4
419.33044	100.0
420.33414	6.0
437.34079	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32952	1.9
53.03935	2.7
55.05502	9.0
57.07064	5.7
67.05497	15.4
69.07066	15.3
69.84254	8.5
77.22708	1.9
79.05482	22.7
81.07044	46.3
83.08591	5.7
83.29581	2.2
87.51879	2.3
91.05477	17.2
91.50950	2.2
93.07026	54.6
95.04952	5.4
95.08595	44.4
97.10159	2.2
105.07010	36.2
107.08582	69.3
109.06481	3.9
109.10152	30.5
117.07003	3.7
117.70496	2.1
119.08559	34.2
121.10125	40.9
123.11706	28.9
129.07013	3.5
131.08569	9.6
133.10110	27.8
135.10660	4.8
135.11673	74.3
137.13229	11.4
143.08519	6.8
145.10110	19.3
147.11691	20.2
149.09595	2.9
149.13268	16.3
151.11104	2.8
156.09247	2.3
157.10097	10.0
159.11664	14.2
161.13200	13.9
163.14774	4.1
171.11688	7.2
173.13248	8.2
175.14824	16.5
177.16374	8.1
185.13261	4.3
187.14809	7.1
189.12764	2.4
189.16380	19.3
191.17834	2.2
193.15936	2.6
197.13208	3.9
199.14821	13.4
201.16315	21.4
203.17932	6.2
211.14767	3.7
213.16353	6.1
215.17908	4.5
217.15881	8.7
217.89484	2.2
227.17859	2.7
241.19691	2.3
255.21153	3.0
267.20920	3.2
269.22668	4.0
271.20557	6.0
283.20554	4.2
391.33502	7.3
401.32111	3.7
409.34561	15.5
419.33020	30.3
437.34113	100.0
438.34406	6.3
464.04907	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	437.3412
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03943	2.3
53.65916	1.0
55.05499	9.0
57.07063	3.9
65.03934	1.0
67.05501	14.9
69.07056	15.6
79.05488	18.6
81.06577	2.2
81.07051	36.4
83.04949	1.9
83.08612	5.1
85.06553	1.2
91.05472	17.3
93.07039	46.5
95.04951	3.7
95.08600	41.0
97.10187	1.4
100.87548	1.0
105.07020	30.8
107.08585	62.2
109.06525	4.4
109.10148	25.7
111.04396	1.3
117.06995	2.0
119.08566	32.2
121.10128	35.2
123.08035	3.0
123.11700	19.2
125.09624	1.3
129.07005	1.4
131.08565	8.4
133.10121	25.6
135.11681	100.0
136.11995	2.5
137.09605	2.1
137.13234	9.5
139.11147	1.2
142.07709	1.3
143.08565	3.5
145.06313	1.1
145.10109	13.3
147.11681	19.5
149.09612	2.5
149.13266	13.2
151.11148	2.6
151.42201	1.0
155.08589	1.3
157.10074	6.5
158.10921	1.1
158.79735	1.2
159.11678	12.5
161.09752	1.4
161.13237	10.0
163.11292	1.5
163.14839	5.9
169.10159	2.1
171.11674	3.9
173.13275	6.6
175.11179	1.3
175.14789	17.2
175.38531	1.2
177.16397	8.1
185.13280	3.0
187.14816	6.4
187.16283	1.4
189.12762	1.5
189.16364	18.6
191.10669	1.1
191.17935	2.1
193.15823	5.2
197.13235	2.9
199.14819	8.8
201.16367	8.5
203.14262	1.5
203.17853	6.1
211.14793	2.2
213.16399	2.9
215.17877	2.7
217.15921	4.7
224.09097	1.1
227.17929	1.4
229.15849	1.2
231.17296	1.4
243.17445	2.2
243.21141	1.5
253.19366	1.2
255.21121	2.5
267.20996	1.4
269.22488	2.6
271.20584	6.2
283.20618	1.6
285.22040	1.7
287.23636	5.9
301.21774	1.5
391.33591	3.5
409.34604	30.8
410.35101	2.0
419.33041	18.1
420.33167	1.3
437.34134	77.2
438.34448	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	437.341
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03934	3.0
55.05502	10.7
57.07056	3.7
67.05498	15.1
69.07068	16.2
71.08619	2.3
79.05481	18.8
79.83067	1.5
81.07052	36.6
83.08598	6.7
86.43399	1.6
88.00906	1.8
91.05474	15.2
93.07030	46.9
95.04935	3.7
95.08598	39.0
97.10163	2.5
97.33441	1.4
98.21514	3.7
103.05365	2.0
105.07016	33.6
107.04976	1.7
107.08587	61.8
109.06483	4.0
109.10149	24.9
111.08115	1.7
117.07072	2.7
119.06004	1.9
119.08574	30.6
121.09309	3.2
121.10131	40.9
123.08059	2.3
123.11722	19.0
129.06984	2.1
131.08543	6.7
133.10120	24.5
135.11676	100.0
136.12024	1.7
137.13258	13.4
141.28226	1.7
143.08543	5.0
145.10077	13.7
147.11685	14.6
149.09647	3.2
149.13268	16.8
151.11130	2.1
157.10143	5.1
159.11687	11.7
161.13251	11.6
163.11151	2.0
163.14828	3.9
169.10181	1.7
171.11673	3.8
173.13268	6.7
175.14763	14.7
177.16360	9.4
183.11671	2.0
185.13197	3.3
187.14787	6.2
189.16347	17.4
191.18001	2.3
193.15744	3.4
197.13156	2.3
199.14813	8.8
201.16394	12.8
202.09770	1.7
203.17894	7.2
211.14803	2.0
213.16359	3.7
215.18011	3.0
217.15833	4.8
251.11945	1.7
255.21046	4.0
271.20490	4.9
283.20563	2.2
287.23712	4.2
299.23975	1.8
347.29599	2.8
391.33621	5.6
409.34641	31.0
419.32898	13.1
437.34116	76.0
438.34741	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.67963	1.1
60.04506	11.1
60.08173	1.1
62.48376	1.1
65.03933	1.9
67.01848	2.0
67.05496	1.5
68.99783	4.6
69.03417	2.2
69.07052	2.6
70.43040	1.1
70.92892	2.5
70.93252	1.8
71.09776	1.0
74.00648	7.0
79.05479	1.9
81.03423	1.1
84.04488	2.3
85.02898	2.9
88.03996	1.2
91.05487	1.9
92.48799	1.1
93.03400	1.8
95.04941	6.4
97.02869	2.5
97.06516	4.1
99.04436	2.0
100.02207	1.3
105.03359	2.4
107.04955	4.5
108.97444	3.7
109.02869	3.5
111.00779	3.1
111.02651	2.9
111.04424	4.2
113.05989	1.6
117.06992	1.3
118.99873	2.1
119.18051	1.3
121.02846	4.9
121.06535	1.4
123.02652	1.5
123.04444	3.1
125.05983	3.7
127.02184	1.7
127.03901	5.7
130.05014	2.4
133.02838	18.8
135.02757	1.4
135.04411	2.4
137.05981	8.3
139.02126	2.4
139.03911	3.1
143.06996	5.0
147.04411	4.4
149.00533	2.8
149.02325	26.4
149.03452	1.8
151.02121	5.2
151.03886	15.0
153.01813	82.3
154.02368	1.0
154.97951	14.6
155.01598	1.9
163.02097	2.2
163.03918	1.9
164.04669	2.3
165.00056	6.7
165.01328	1.2
165.05457	14.5
166.06242	38.0
167.01622	20.1
167.03371	6.8
167.06923	1.2
169.03181	3.2
171.02875	6.8
172.98990	2.8
177.01805	2.9
177.03270	2.5
178.00887	1.2
179.01579	3.4
180.99603	1.1
182.97514	4.4
183.01141	3.8
184.99030	3.0
189.00032	1.7
191.01585	2.0
193.03198	9.4
195.01128	3.6
195.02895	10.1
197.02646	8.5
198.03456	3.7
200.98508	11.4
201.05452	1.5
203.01718	1.4
203.04893	1.6
205.03198	1.3
206.06607	1.6
209.02725	2.6
211.02109	1.7
213.05499	3.0
217.04820	1.3
218.00290	1.8
219.01103	2.5
221.02722	2.4
223.00555	1.2
223.02434	1.5
229.04936	8.7
232.01921	2.1
233.02632	11.3
241.04965	3.8
243.01166	2.4
245.02686	2.8
247.00539	8.0
248.01396	3.2
249.02209	1.2
257.04410	4.4
261.02127	14.0
263.03748	6.6
265.01981	1.3
269.04840	2.6
271.00473	4.6
272.01468	1.4
275.03687	16.6
277.05304	1.5
286.07278	5.9
289.01620	7.0
291.08267	7.3
297.02051	1.8
303.03152	13.8
316.00357	2.7
317.01160	2.0
329.04849	1.6
331.02634	20.4
349.03732	100.0
350.04037	2.8
357.04114	8.4
367.04785	24.0
375.05243	10.0
385.03510	5.3
392.08212	1.6
402.06467	1.7
403.04688	5.4
420.15936	1.7
421.05869	28.2
438.08405	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	438.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75609	0.5
55.01847	0.8
67.01869	2.5
67.05471	0.9
68.99779	3.2
69.03420	1.5
69.07038	0.9
69.92384	1.2
69.92775	1.5
70.02928	0.5
74.00659	12.5
80.56505	0.5
81.07011	0.7
84.04499	4.3
85.01104	0.8
85.04008	1.9
86.26440	0.6
88.03986	12.4
92.01720	0.8
95.04945	1.2
100.02187	4.7
107.04951	0.9
107.99372	2.0
109.02860	1.9
111.00774	0.9
111.77801	0.5
112.03999	0.7
113.02361	2.9
113.03444	0.6
118.99866	4.1
120.01177	1.0
121.01061	0.9
121.02792	0.7
123.04408	6.3
125.05972	0.7
127.03910	1.6
130.04991	3.7
131.04507	1.2
137.05962	1.1
139.03908	1.9
147.04349	0.7
148.02119	0.7
149.00557	7.3
149.02388	0.7
153.01811	100.0
154.00848	0.7
154.02129	1.4
156.99606	0.6
163.02150	0.9
165.00026	3.3
167.01595	1.6
167.03377	0.8
169.03171	24.4
171.02885	1.8
176.01643	8.5
176.07076	1.3
177.03226	3.3
180.02428	1.9
181.03160	1.4
188.05583	0.7
190.03252	0.7
193.01808	3.9
193.03450	0.7
194.04488	6.5
195.04828	0.6
197.02702	1.2
203.04851	3.8
205.20108	0.5
206.06644	3.4
207.00937	0.8
208.04254	18.7
209.04729	0.6
211.02020	1.9
220.04308	0.6
222.05786	0.7
232.01857	1.4
233.02620	2.1
239.02475	0.9
240.04890	1.1
243.01219	1.1
254.04797	70.6
255.05113	2.0
259.00598	2.2
259.14673	0.7
260.01334	3.3
261.02173	0.8
268.06439	1.9
269.04745	3.3
271.00525	5.0
275.03680	3.7
286.07410	9.2
287.00134	2.3
288.00775	2.9
291.08310	11.4
293.04803	6.1
299.00058	7.7
301.07132	1.9
316.00308	18.6
321.04300	5.7
329.04706	0.7
331.02673	19.8
331.06595	1.2
332.03192	0.7
333.04288	9.9
345.09134	0.6
349.03650	4.8
356.05750	1.8
363.10336	2.6
420.07248	4.0
421.05823	0.9
438.08774	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	438.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69902	0.6
55.01849	0.7
55.05493	2.4
57.02765	0.6
57.03418	1.5
57.07058	5.3
58.06610	1.3
61.02905	1.6
64.55923	0.6
65.03935	3.2
67.05498	8.5
68.05831	1.0
69.03407	1.7
69.07063	1.4
70.06586	16.7
70.20079	3.0
71.08601	1.1
71.52319	0.7
73.02901	0.9
75.17063	0.6
79.05482	1.7
81.03400	2.4
81.07046	4.0
83.04976	1.1
83.08607	1.8
85.02879	2.2
85.10175	1.2
88.07624	19.9
88.35264	0.6
91.03934	1.4
91.05486	3.3
93.07026	2.8
95.04952	1.6
95.08580	1.9
97.02887	1.7
102.09171	15.2
105.07023	1.9
107.08569	1.0
109.10148	4.6
110.10465	1.0
112.34187	0.7
117.07005	0.7
119.08559	2.5
121.02795	1.3
131.08543	1.3
132.10127	0.8
133.10071	1.2
139.03899	2.0
147.11708	1.3
149.02327	56.8
149.03387	3.4
150.02707	0.9
153.22452	0.7
163.11223	0.8
167.87544	0.7
173.11760	1.0
184.20776	0.8
193.04938	60.3
193.12291	2.4
194.05312	1.3
196.28058	0.8
211.13281	1.7
228.23196	53.2
229.23337	1.3
237.07539	68.9
238.07921	1.1
267.06714	0.9
272.25769	1.5
316.12006	1.3
324.11426	1.2
438.28470	100.0
439.28815	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2476
Annotation	Isovouacapenol C
Peak:m/z	Relative Intensity
53.03936	0.7
55.05497	2.0
56.96560	0.5
57.07072	0.5
67.05495	7.5
69.03415	0.6
69.07047	1.0
70.58138	1.0
71.04980	0.4
71.63921	0.3
76.34271	0.3
79.05495	3.0
81.03407	1.2
81.07053	5.1
83.04966	4.5
83.08587	1.0
85.02902	0.5
85.06512	0.4
91.05472	6.1
93.07034	20.5
95.04959	2.5
95.08591	14.1
95.09219	0.5
95.31174	0.3
97.02871	0.6
97.06538	1.1
97.10145	0.4
99.04470	0.6
105.07006	4.1
107.08578	4.2
109.06508	1.4
109.10135	3.9
111.04440	2.4
111.08062	2.2
113.05941	0.6
114.67836	0.5
117.06991	1.0
119.08564	5.9
121.06516	1.2
121.10128	4.5
123.08060	1.2
123.11694	1.0
125.09599	0.8
128.06178	0.7
129.06976	1.1
131.08562	2.5
133.06454	0.8
133.10117	5.2
134.10899	0.6
135.08034	1.0
135.11685	2.5
137.09627	0.4
139.07530	1.1
141.07060	0.5
141.08992	0.4
142.07756	0.9
143.08568	1.9
145.06479	1.4
145.10106	3.6
147.08041	1.5
147.11659	0.9
149.02356	0.5
149.13286	0.4
155.08546	1.4
156.09335	0.5
157.10098	1.9
159.08041	3.9
159.11676	3.3
161.09598	1.4
161.13210	0.6
163.07550	0.8
163.65230	0.4
165.09068	0.6
167.07024	0.6
169.10103	2.9
171.08098	1.0
171.11673	2.8
172.12427	0.4
173.09639	1.5
173.11760	0.8
173.13187	0.5
175.07565	0.7
175.11247	0.4
177.09175	0.6
179.08528	0.5
181.10120	2.1
182.10913	0.5
183.11693	1.4
185.09619	1.5
185.13226	0.6
186.10439	0.5
187.11206	1.0
187.14822	1.3
189.09094	1.8
189.11162	0.4
193.08507	0.4
193.10143	0.5
193.12184	1.0
195.11676	0.7
197.09621	1.3
197.13254	1.4
199.11163	0.8
201.09106	1.0
203.10684	1.0
207.10149	1.5
209.09579	0.5
209.13226	0.9
211.11238	1.0
211.13078	0.8
211.14899	2.1
213.08969	0.4
213.12801	1.0
215.10684	0.6
215.14291	0.8
219.10129	1.4
221.13191	0.7
223.11278	0.6
225.12677	0.8
229.12154	1.0
231.10201	1.9
231.13821	0.9
232.10922	0.7
233.15340	0.5
235.14847	0.4
237.07680	0.5
237.12604	0.5
239.14296	0.9
241.12170	1.0
243.10156	0.7
250.13206	0.4
257.11731	0.4
258.12503	1.0
263.14276	0.5
269.12067	0.4
270.12402	1.1
271.16803	0.5
285.14847	2.5
299.16336	1.6
321.99341	0.4
334.52719	0.4
391.38913	0.4
409.20258	0.7
421.23734	0.6
439.24722	100.0
440.25146	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	439.2475
Annotation	Arisugacin F
Peak:m/z	Relative Intensity
55.05506	25.3
57.03425	8.6
67.05503	96.3
69.07072	16.3
71.56737	9.4
74.75323	6.5
79.05480	25.4
81.03417	19.5
81.07051	47.7
83.08611	21.9
91.05484	43.9
93.07032	45.7
95.04972	20.3
95.08592	81.4
97.10146	10.8
100.90791	6.4
105.07027	33.3
107.08586	31.9
109.06497	7.8
109.10132	64.2
111.08076	14.1
117.07041	20.0
117.69309	8.0
119.08595	38.0
121.10149	29.6
123.08096	16.7
123.11698	14.2
125.09626	10.6
126.12019	6.7
128.06248	15.0
129.06999	19.2
131.08572	17.8
133.10124	29.1
135.08066	16.9
135.11702	14.8
141.06947	9.3
143.08548	53.9
145.06458	49.3
145.10152	20.1
147.08069	10.3
147.11674	15.1
149.09689	12.7
149.13295	7.3
155.08563	28.9
157.10120	29.9
159.08034	37.4
159.11684	15.3
161.09616	24.0
163.11256	9.9
163.14804	11.7
166.91779	7.6
169.10080	45.2
171.08083	18.4
171.11705	9.3
173.09631	17.5
175.11145	17.6
175.14838	7.4
181.10162	12.3
181.98357	6.3
183.11668	17.0
185.09564	53.4
187.07587	7.6
187.11264	8.1
187.14857	10.0
193.12230	28.3
195.11577	10.3
197.09625	21.4
197.13329	10.9
199.11150	15.2
201.12653	13.5
209.13268	23.2
211.11172	26.9
211.13313	19.8
213.12817	7.9
223.88374	6.5
227.14282	9.6
235.14806	10.7
237.12709	8.3
239.14279	7.4
251.14264	38.1
253.15857	45.8
265.15717	12.9
279.17444	21.8
347.23700	12.7
375.23117	100.0
393.24167	67.1
421.23752	18.2
439.26944	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64849	4.8
55.01863	16.7
55.05495	21.9
60.59615	5.1
65.03909	9.1
67.05164	6.2
67.05503	100.0
69.03405	10.0
69.07062	13.4
69.42047	47.5
71.13407	5.4
79.05489	29.8
81.03399	19.7
81.07048	46.1
83.04967	19.0
83.08611	25.1
85.02885	5.9
91.05482	47.6
93.07031	67.7
95.04932	24.1
95.08599	83.2
97.06515	5.8
97.10167	6.1
105.07023	47.7
106.96500	5.0
107.04937	10.4
107.08595	31.2
109.06526	7.1
109.10146	62.4
111.04446	8.9
111.08070	19.3
115.05391	5.8
117.07014	21.4
119.08564	41.9
121.06470	14.1
121.10116	34.0
123.08043	16.6
123.11708	8.9
125.08043	4.7
128.06226	9.7
129.07022	19.9
130.07809	5.5
131.08560	47.5
133.06485	9.4
133.10109	32.3
135.08009	14.7
135.11682	18.9
137.09624	8.2
139.07509	11.8
141.06981	12.5
141.09065	5.7
142.07724	14.3
143.08553	28.2
145.06462	15.2
145.10138	34.7
147.08014	12.3
147.11659	19.4
149.09601	6.2
155.08539	14.5
157.10130	38.6
159.08049	35.4
159.11670	49.6
161.09596	14.8
163.07475	6.7
167.08516	10.6
169.10121	19.4
171.08018	12.3
171.11668	12.3
173.09567	15.3
173.11813	8.1
173.13214	16.9
175.11125	9.4
175.14671	6.1
179.08504	10.6
181.10051	11.8
182.10918	6.6
183.07997	9.4
183.11687	16.4
185.09657	29.2
185.13269	9.6
186.10262	6.8
187.07521	22.0
187.11139	9.9
187.14819	11.6
189.09061	12.7
193.10085	9.2
193.12244	20.0
195.11662	15.5
197.09531	9.3
197.13252	11.5
199.07651	6.9
199.11168	11.8
199.14764	5.6
201.09137	12.9
201.12779	9.4
203.10617	11.3
205.08562	12.7
210.18272	6.8
211.11324	10.6
211.13272	14.7
211.15005	6.6
213.09186	12.1
213.12692	9.3
215.14290	14.8
217.08809	6.1
219.13747	5.2
221.13246	8.4
223.14998	9.0
225.09032	6.3
225.16428	9.7
231.09996	24.9
233.15388	10.0
235.14757	15.0
237.12653	6.2
243.10207	10.8
253.15846	13.7
263.14352	10.5
279.13855	9.9
281.15292	18.4
281.18689	9.5
297.14948	8.9
299.16409	8.5
299.20013	11.4
307.16714	7.5
375.23257	28.5
385.21658	10.5
393.24207	14.9
403.22833	26.7
421.23486	33.5
439.24753	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	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.80146	0.8
55.01865	2.1
55.05504	14.7
56.96574	1.5
57.03430	6.1
57.07071	1.1
59.04970	3.3
59.57178	0.8
61.02910	2.3
65.03936	3.5
67.05497	100.0
69.03416	4.0
69.07059	6.3
71.04984	5.5
79.05481	15.8
81.03410	31.1
81.06569	1.5
81.07047	29.4
83.04971	6.9
83.08605	17.8
85.02898	18.9
85.06530	3.6
91.03960	1.3
91.05471	21.8
93.07032	15.6
95.04959	15.5
95.08593	12.5
97.02868	2.5
97.06536	2.2
97.10160	3.2
99.08131	1.1
101.06059	1.2
104.22459	0.9
105.07018	10.2
107.04942	2.6
107.08587	8.1
109.06503	3.3
109.10143	68.9
111.04449	1.6
111.08080	10.4
113.06018	1.0
117.06995	1.8
119.08563	13.6
121.06488	1.7
121.10149	6.0
123.08067	1.8
123.11678	1.5
125.09634	1.6
129.07031	4.5
131.08585	5.4
133.10112	6.5
135.11650	1.4
137.05984	1.1
137.09622	4.2
139.05563	1.1
145.10095	1.1
147.08083	2.2
147.11682	9.3
149.09631	2.7
151.07611	1.0
155.10666	3.4
157.10097	8.5
159.11690	1.6
165.09096	1.8
165.12708	1.8
167.07045	2.6
173.11714	17.7
173.13141	1.5
175.11153	7.6
189.11234	1.5
193.12234	30.8
197.88782	1.1
207.10201	1.4
210.94025	0.9
211.13268	38.2
217.06255	1.3
220.99916	1.1
229.14409	2.6
243.08939	1.2
260.60153	1.0
267.09134	1.7
267.15964	2.3
270.12704	1.1
285.10223	3.1
324.11548	1.9
413.08301	1.0
421.26151	1.2
439.26926	64.6
440.27063	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	439.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42072	0.6
53.03928	0.9
55.01863	2.1
55.05501	14.6
55.05750	1.5
55.89938	0.9
56.96555	2.2
57.03425	6.9
57.07056	1.5
59.04994	4.7
61.02915	1.2
61.48304	0.7
65.03928	2.8
67.05494	100.0
68.05841	1.1
69.03413	5.0
69.07063	5.4
69.38367	2.9
69.38798	4.0
71.04977	6.1
71.06496	0.7
73.02889	0.9
79.05479	14.0
81.03406	33.1
81.07042	30.1
82.97843	0.9
83.04974	6.5
83.08606	17.7
85.02895	19.6
85.06535	2.8
87.04433	0.8
91.03954	1.0
91.05466	21.4
93.07032	13.2
95.04953	13.9
95.08591	10.5
97.02881	2.4
97.06491	2.3
97.10169	1.5
105.07008	13.1
105.07670	1.2
107.04955	3.1
107.08553	7.9
109.02851	0.9
109.06490	3.9
109.10136	73.1
110.10485	0.7
111.04440	2.0
111.08067	10.0
113.05997	2.6
117.06965	1.4
117.15906	0.7
119.08558	15.8
121.10121	5.7
123.08038	0.9
123.11684	1.6
125.06013	1.0
125.09615	1.5
128.06215	0.8
129.06982	6.3
131.08554	5.7
133.06456	1.6
133.10112	7.1
135.08115	1.0
135.11670	1.3
137.09583	5.0
137.50235	0.9
142.07771	1.9
145.10126	1.7
147.08006	1.8
147.11668	8.6
149.09621	3.2
155.10661	2.4
157.10120	7.2
159.11684	1.1
163.11176	1.2
165.09132	2.9
165.12740	1.5
167.07080	1.5
173.11711	21.8
173.13135	1.4
175.11160	10.2
178.38275	0.8
189.09230	1.1
191.10765	1.0
193.12201	37.0
194.12512	0.9
205.12245	1.0
211.13260	40.5
212.13531	1.0
217.07661	0.7
227.12820	0.9
229.14275	1.5
240.80708	0.8
243.08849	0.9
255.09070	0.9
255.15929	0.8
267.08994	1.8
267.15939	2.6
273.10178	1.3
285.10092	3.4
324.11423	1.2
324.61496	0.9
421.25638	1.8
439.26883	58.4
440.27209	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	439.2836
Annotation	Remangilone A
Peak:m/z	Relative Intensity
53.03934	1.4
55.01869	1.0
55.05505	6.6
57.03419	1.1
57.07075	0.7
58.42229	0.4
59.04990	0.4
65.03918	1.0
67.05496	13.7
69.03409	1.6
69.07059	4.2
69.27068	4.5
71.04993	1.1
72.25109	0.4
75.04430	0.4
77.03896	0.5
79.05483	8.9
81.03416	1.2
81.07048	17.1
83.04967	13.1
83.08597	1.6
85.02926	0.5
85.06524	1.1
91.05468	13.2
93.07035	22.3
94.07346	0.5
95.04964	4.9
95.08594	32.8
95.44164	0.4
96.85934	0.4
97.06502	3.6
97.10160	1.0
98.21596	0.7
99.04466	1.1
99.08096	0.4
103.05437	0.6
105.04541	0.5
105.07018	18.9
107.04955	0.8
107.08579	17.6
109.05766	0.7
109.06499	9.8
109.10139	13.2
111.04426	7.8
111.08062	7.2
111.95420	0.3
113.05997	1.4
115.05452	1.7
116.06245	0.4
117.06996	7.9
119.08566	18.3
121.06480	3.4
121.10125	12.5
123.08056	8.1
123.11666	3.7
125.06036	0.6
125.09612	1.6
127.07548	0.7
128.06192	2.9
129.06993	7.0
130.07742	1.2
131.08551	18.8
132.09218	0.5
133.06483	1.2
133.10115	16.0
135.08047	2.4
135.11678	6.4
137.05965	0.5
137.09572	3.0
137.13231	0.8
139.07500	3.2
141.06961	4.4
141.09094	2.1
142.07756	4.4
143.08543	13.4
144.09308	1.3
145.06450	1.7
145.10098	19.0
146.07269	0.6
147.08017	4.5
147.11670	11.2
149.09605	3.0
149.13243	2.0
151.07460	0.6
151.11166	0.8
153.07036	1.0
154.07774	1.2
155.08542	8.0
155.10571	0.5
156.09344	2.7
157.10107	16.8
158.07237	0.6
158.10844	0.9
159.08040	2.6
159.11673	15.0
159.13002	0.9
161.09602	6.2
161.13243	5.1
163.11179	1.7
163.14726	0.9
165.06999	1.6
166.07803	1.0
167.08549	2.6
168.09328	1.5
169.10120	10.0
170.10858	1.8
171.08049	2.1
171.11673	10.5
172.08809	0.9
172.12418	0.8
173.09612	4.1
173.11731	0.6
173.13222	9.2
173.14616	0.6
175.11166	8.8
175.14780	2.9
177.09125	0.6
177.12709	1.9
177.87045	0.5
178.07884	0.5
179.08565	1.8
179.10597	1.1
180.09319	0.7
181.10086	5.3
182.10869	1.7
183.08112	1.1
183.11673	8.5
184.12451	1.5
185.09569	2.1
185.13239	7.8
186.10451	1.1
187.11177	4.6
187.12634	0.5
187.13197	0.6
187.14761	4.6
189.09056	0.4
189.12695	3.5
189.16359	1.0
191.10638	1.0
191.14314	0.7
192.09323	1.0
193.10165	2.0
193.12260	1.7
194.10912	1.4
195.08008	0.7
195.11662	5.2
196.12509	1.2
197.09605	1.3
197.13228	7.6
198.10367	0.5
198.13879	0.9
199.11134	2.2
199.14783	3.7
200.12016	0.5
201.12737	4.4
201.16362	1.3
203.10553	0.5
203.14265	2.4
203.17903	0.7
205.10127	1.1
205.12257	1.4
206.10950	0.6
207.11702	2.8
207.13762	1.0
208.12450	0.9
209.09789	0.4
209.13229	5.6
210.13774	0.4
211.11168	1.5
211.13095	0.5
211.14839	6.1
212.11731	0.6
212.15475	0.5
213.09059	0.6
213.12729	3.0
213.16367	2.5
215.14272	3.3
215.17929	1.7
217.12303	0.9
217.15858	0.6
219.11688	1.5
219.13844	1.1
220.12407	0.7
221.13268	3.6
221.15321	0.9
223.11246	0.8
223.14830	3.5
224.15585	0.7
225.12793	2.7
225.16344	3.8
226.13264	0.4
227.14258	1.3
227.17972	1.7
229.15860	1.4
231.13806	1.8
232.12288	0.6
233.13196	1.3
233.15411	1.2
235.11102	0.6
235.14806	2.4
236.15579	0.7
237.12701	1.3
237.16397	3.0
239.10759	0.8
239.14284	1.6
239.17885	2.2
241.12158	0.7
241.15822	1.4
241.19415	1.0
243.17377	0.6
243.21046	1.0
245.15219	0.8
247.14771	1.1
247.16959	0.5
249.16414	2.0
250.17136	0.5
251.14299	1.2
251.17934	3.9
252.18649	1.2
253.15857	1.8
253.19510	8.5
254.20161	0.7
255.13792	0.8
255.17421	1.0
255.20930	0.9
257.15436	0.7
257.18713	0.5
259.16986	0.7
261.16464	1.0
263.14386	0.8
263.17941	3.5
264.18744	0.5
265.15933	1.6
265.19333	2.1
266.20288	0.5
267.17462	1.6
267.20847	0.6
268.18301	1.0
269.15433	0.5
269.19028	3.2
271.16965	1.5
271.20551	2.4
271.23129	0.4
273.18680	0.8
275.17911	1.0
277.19519	0.9
279.17596	1.0
279.21109	0.8
280.18079	0.6
281.15717	0.8
281.19022	4.5
281.22153	0.7
283.17068	0.8
283.20520	0.8
285.18460	1.2
289.19348	1.0
291.21017	0.7
292.21686	0.6
293.19116	0.8
293.22601	1.5
294.23367	1.1
295.16748	0.4
295.20602	0.8
295.23935	0.5
297.18594	0.9
297.22006	1.0
299.20105	1.1
303.17371	0.6
303.20889	0.7
304.21857	1.1
307.20538	1.1
311.20221	0.5
319.51349	0.4
321.22223	0.6
322.22855	1.4
325.21594	0.9
337.21548	0.8
347.23599	0.6
349.21567	0.5
357.25781	0.6
363.23077	0.5
365.24841	1.1
375.27023	2.4
377.20914	1.1
377.25092	0.5
381.27951	0.9
383.29285	1.2
385.25351	1.1
391.26212	3.9
393.27863	14.3
394.28223	0.5
403.26434	7.3
409.27298	13.1
410.27994	0.5
411.28876	4.3
421.22672	0.6
421.27487	11.0
439.28406	100.0
440.28781	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	439.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83502	3.7
51.91023	3.7
52.29450	3.7
55.01850	4.8
55.05498	12.8
57.03445	3.6
58.93777	3.8
67.05497	59.3
69.07062	9.8
70.86588	10.7
79.05486	12.1
81.03426	9.4
81.07038	28.0
83.04971	5.7
83.08610	12.7
85.02903	4.8
91.05484	22.0
93.07036	30.2
95.04963	14.8
95.08591	58.3
97.06533	5.1
97.10171	8.2
99.04506	4.1
105.07038	26.7
107.08595	21.0
109.06507	5.0
109.10146	42.9
111.08076	12.7
117.06934	6.8
119.08601	27.9
121.06467	6.1
121.10132	27.4
123.08040	15.4
123.11690	16.5
125.09625	4.0
130.07724	5.4
131.08568	45.2
133.10138	20.1
135.08061	4.5
135.11684	14.2
137.09569	6.2
137.13295	4.6
137.82745	4.1
139.07484	5.4
141.09109	9.6
142.07761	7.2
143.08511	10.2
145.10115	37.5
146.04926	3.5
147.08023	7.0
147.11678	16.8
149.09592	6.4
155.08582	5.4
156.09341	6.9
157.10114	42.4
159.11694	13.5
161.09618	25.8
161.13287	14.7
163.14851	5.9
169.10150	11.3
171.11671	38.4
173.09608	100.0
173.11812	5.6
173.13301	6.2
175.11197	18.6
181.10062	4.2
181.64925	4.3
182.10881	6.0
183.11693	31.9
185.13249	17.4
187.11169	47.1
187.14819	5.8
189.12732	11.3
191.10641	67.7
193.12274	12.7
195.11676	5.0
197.13271	22.3
199.11201	12.4
199.14819	9.3
201.12813	8.5
205.12259	6.6
207.11769	5.4
209.13358	5.3
210.80948	4.1
211.13110	7.5
211.14896	15.4
213.12785	10.3
215.14256	5.3
217.12242	16.8
217.15807	8.3
221.13211	8.4
223.14865	7.4
225.12665	6.3
225.16370	6.6
229.12270	9.9
229.15811	19.6
231.13802	28.2
233.13019	6.0
235.14825	11.1
235.16924	13.6
237.12737	8.1
237.16411	5.3
239.14296	9.3
239.17944	5.4
243.13748	26.6
249.16458	7.7
251.17831	4.0
253.15779	4.4
257.15323	9.4
261.16422	4.5
263.17957	9.0
271.16910	7.2
279.17468	8.3
281.19037	8.4
285.18646	9.0
307.20605	7.9
319.20416	4.4
332.17075	4.3
335.76071	4.4
375.26770	15.2
379.26120	6.3
385.25244	17.1
393.28192	5.4
403.26550	42.4
421.27765	25.1
439.27081	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.62415	5.3
53.03912	6.4
55.05497	17.8
61.88034	6.1
67.05497	44.4
69.07055	22.2
72.26488	5.0
79.05470	24.8
81.07053	76.6
83.04966	34.8
83.08588	9.1
89.05997	9.4
91.05489	28.4
93.07034	55.6
95.04960	45.4
95.08588	100.0
97.06501	10.2
105.07020	60.9
107.08581	64.4
109.10139	50.0
117.07005	5.6
119.08553	63.0
121.10139	45.6
123.08038	21.0
123.11690	21.0
131.08543	24.0
133.10118	46.7
135.08054	9.1
135.11665	32.9
145.10100	33.8
147.11682	41.2
149.13249	21.4
157.10112	8.6
159.11661	55.9
161.13249	64.6
163.14844	10.8
169.09880	5.4
171.11696	6.7
173.13219	16.5
175.14767	21.0
177.12714	6.4
177.16457	9.3
187.14732	18.7
189.16412	9.6
191.17961	14.1
193.15973	6.5
201.16344	32.1
203.17947	21.5
215.17969	10.6
217.15889	7.1
219.17418	16.9
239.14778	9.6
288.82254	6.1
421.34668	29.9
439.35855	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	17.9
57.07066	9.3
66.30698	3.9
67.05492	33.4
69.07051	36.6
69.47454	10.3
69.47862	26.6
79.05471	18.4
81.07040	68.8
83.08613	21.6
84.12942	4.0
89.05989	5.9
91.05460	19.8
93.06467	4.6
93.07030	61.3
95.04925	4.5
95.08036	7.8
95.08597	86.0
97.10144	5.9
98.20726	3.9
99.93294	3.3
105.07030	65.6
107.08577	82.0
108.91047	4.0
109.09448	6.2
109.10137	67.6
111.08020	5.9
117.07001	7.1
119.07774	6.4
119.08564	72.2
121.10122	65.3
123.08002	9.0
123.11678	37.3
129.06963	4.6
131.08545	22.9
133.10098	49.0
135.08008	8.6
135.11679	55.7
137.13249	9.4
143.08528	5.8
145.10118	32.8
147.10597	5.4
147.11670	43.1
149.09575	8.2
149.13272	29.8
153.09071	7.1
157.10048	15.6
158.10890	5.0
158.15646	4.0
159.11647	40.1
161.09544	4.1
161.13239	30.2
163.14789	12.9
171.11661	9.0
173.13251	28.0
175.11241	4.0
175.14778	31.0
177.16330	6.2
181.12186	11.7
185.13280	12.6
187.14777	12.9
189.12823	5.1
189.16379	16.4
191.17940	11.1
193.15871	24.9
199.14766	4.5
201.16286	24.5
203.17918	48.7
205.19402	6.3
213.16284	6.5
215.17924	14.2
217.19516	20.4
221.15334	6.5
227.17903	7.2
229.19514	9.5
245.18987	13.7
245.22540	5.6
247.16833	5.7
269.22818	4.5
271.85223	4.0
354.08578	4.3
383.29312	7.2
395.98212	4.4
421.34479	7.2
439.30060	5.1
439.35770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	14.8
57.07061	11.7
59.15253	5.5
67.05500	35.9
69.07061	48.3
69.74621	38.4
72.12793	5.2
79.05472	18.0
79.93752	5.6
81.07053	63.7
83.08602	21.3
89.05970	7.0
91.05463	16.8
93.07038	44.4
95.08595	70.9
97.10171	7.5
98.20754	11.5
104.89604	6.0
105.07031	51.9
105.70625	6.3
107.08584	57.9
109.10142	71.4
111.11691	7.8
119.08586	49.4
121.10107	45.2
123.11701	28.2
125.13193	6.1
131.08533	18.4
133.10086	32.8
135.08031	9.9
135.11685	30.7
137.13231	13.8
145.10112	22.2
147.11719	34.4
149.09642	7.0
149.13208	17.0
157.10098	16.2
159.11613	29.0
161.09569	8.1
161.13248	23.8
163.14825	13.9
171.11642	9.2
173.13260	18.4
175.11189	6.6
175.14799	15.9
175.74965	7.6
187.14818	10.6
191.10596	6.1
191.17842	8.8
199.14845	10.1
201.16341	11.7
203.17900	13.5
217.19499	8.9
219.13831	6.5
229.19400	8.3
233.15274	7.8
244.99225	5.8
245.15434	7.5
245.22630	9.4
261.18463	6.1
261.51453	6.4
273.18475	11.8
301.21487	7.8
329.24948	9.0
392.95108	6.0
417.58951	6.9
439.35693	100.0
458.85452	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	441.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	20.7
57.76301	1.9
71.56751	3.0
74.10389	1.7
83.88177	1.8
84.96030	10.0
98.97572	100.0
110.96808	2.4
110.97557	28.0
112.99136	1.9
116.98602	44.6
124.99064	2.5
128.98586	27.0
131.00089	3.0
134.99628	10.7
140.98560	9.4
143.00136	24.7
146.99623	15.9
152.98596	3.3
158.99644	39.8
161.01221	18.8
170.99648	22.8
173.01157	3.4
174.99170	2.0
177.00684	36.5
179.02132	2.4
182.99669	14.0
184.83043	2.0
186.03061	2.0
189.00708	31.1
195.01675	4.0
200.02084	2.0
201.00702	54.1
201.02521	4.5
207.01698	5.4
213.00668	5.8
219.01741	52.4
219.03860	2.7
231.01750	4.7
237.02802	88.1
243.01831	19.2
246.76556	2.0
247.68848	2.1
255.03848	81.1
260.04330	2.9
261.02780	84.1
273.02588	5.6
273.05176	3.0
279.03848	58.5
280.46213	1.8
291.03830	26.9
297.04977	6.7
302.05472	2.4
309.04904	6.5
315.03818	4.1
321.04898	41.0
322.05414	2.2
333.04883	6.5
351.06042	5.2
381.06937	16.0
399.08105	29.1
439.67291	2.0
441.08987	26.7
455.60046	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	441.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28503	0.3
53.46246	0.3
65.46077	0.3
69.72089	2.2
70.06561	0.3
83.01078	1.0
85.02908	0.4
85.07665	0.7
86.09697	0.4
95.01086	1.5
96.01865	0.5
107.04926	0.4
113.02118	1.9
123.04383	0.4
126.02795	0.4
137.05894	0.3
147.04402	0.5
153.01845	0.6
157.04707	0.6
162.72258	0.3
163.03937	0.5
167.03133	0.4
185.04192	2.9
189.05211	0.5
198.00192	0.3
201.03749	0.8
204.07568	2.9
207.02794	0.4
252.08496	0.5
259.07874	0.9
267.00397	0.4
273.03903	0.5
279.11877	0.6
285.03983	0.8
291.05145	0.4
303.05109	0.4
363.07062	1.0
430.40625	0.4
441.17273	100.0
442.17688	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	441.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28993	0.6
55.01860	0.9
59.06092	2.0
62.76623	0.7
65.03912	0.7
69.03413	1.1
69.19714	0.6
69.49423	5.7
70.06582	4.2
72.08115	1.1
79.05453	0.7
83.04977	1.4
84.04500	1.3
84.97483	0.6
85.02874	2.4
85.07641	1.7
85.47334	0.6
87.09219	1.7
91.05456	3.5
93.03388	0.9
95.04923	0.7
97.02897	0.9
98.06033	0.7
99.04411	0.8
105.06999	0.7
111.04430	1.6
115.60677	0.7
116.07111	0.9
117.06979	0.8
119.04935	13.6
121.06477	0.7
123.04404	2.6
127.03873	0.6
131.04904	0.9
135.04366	0.7
139.03822	1.4
145.06464	1.9
147.04390	100.0
148.04710	2.0
148.07463	0.6
149.06007	0.9
161.05977	0.8
161.30789	0.7
162.05527	0.8
163.03879	5.5
163.07547	1.4
165.05511	0.7
174.83371	0.7
177.05455	0.7
178.08678	0.9
179.03380	1.0
189.05440	1.7
190.08623	1.0
191.06969	1.1
204.06529	1.8
206.08113	1.3
216.10162	1.2
222.07677	0.7
232.06075	1.5
245.04474	1.8
249.08690	1.0
249.12314	0.7
262.10715	77.4
263.11145	2.1
288.90622	0.6
395.17816	0.9
423.07056	0.9
424.16071	1.3
441.18924	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	441.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.9
57.71575	0.9
58.91587	1.0
65.82115	1.2
69.03425	1.4
70.06576	1.7
70.99171	3.1
72.16330	0.9
75.57492	1.2
83.04979	1.4
85.02895	2.1
89.03918	3.6
97.02885	1.0
98.97556	6.3
107.04943	1.4
110.97607	1.2
113.23241	1.1
115.05440	1.8
116.98614	2.0
117.03342	2.1
117.05742	1.8
120.08176	1.5
125.02505	1.1
128.98589	2.2
132.08072	4.3
134.99634	1.6
135.04407	4.9
139.03860	1.9
143.00163	1.9
145.02776	2.3
147.04440	2.6
155.01942	1.2
160.07562	100.0
161.01204	1.8
161.07903	3.5
163.03889	21.3
164.04155	2.0
170.99551	1.5
177.00728	3.2
177.10210	13.1
189.00734	1.7
201.00687	2.1
219.01753	4.5
237.02759	2.5
237.66087	1.2
245.04616	2.4
261.02856	3.6
279.03952	3.6
389.42880	1.1
399.07513	1.7
430.59402	1.1
433.80521	1.0
441.08618	2.4
441.18472	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	441.2457
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.05500	0.7
57.03424	0.6
57.07042	0.6
57.74498	0.4
67.05491	1.4
67.12325	0.4
69.03441	0.6
69.07040	1.0
79.05480	0.9
81.07047	2.1
85.02882	1.7
91.05460	1.5
93.07034	1.1
95.08582	2.1
97.02876	0.6
97.10210	0.4
98.97589	0.9
105.07026	1.1
107.08585	1.8
109.10148	1.3
111.04444	0.4
116.98617	0.6
119.04933	1.1
119.08617	0.4
121.10147	0.8
123.11717	0.5
127.03942	0.6
130.84676	0.4
135.08093	0.5
135.11641	0.6
137.06068	0.6
137.09555	0.8
145.10123	0.9
147.04408	2.7
147.11678	0.6
149.09677	0.4
151.07552	2.9
158.99651	0.5
159.08029	0.5
165.09064	3.0
167.07085	0.6
172.09122	0.4
175.11223	0.7
177.09116	0.6
183.50371	0.4
191.10675	1.4
199.11169	0.8
203.05266	6.0
203.10735	0.5
220.10341	1.2
229.10997	0.4
229.58391	0.4
261.18268	1.3
279.19250	0.8
367.22488	0.5
411.16306	0.5
441.24582	100.0
442.25027	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	441.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.7
55.05502	16.8
57.03421	2.9
59.04982	1.3
63.05751	1.2
63.17733	1.3
64.24331	1.6
67.05499	14.0
69.07031	5.5
70.79314	3.3
70.79667	1.7
71.04971	2.1
77.62165	1.4
78.56155	1.3
79.05478	15.9
81.07055	18.1
83.08595	5.3
91.05487	9.6
93.07018	9.7
95.04957	1.6
95.08604	13.9
97.06538	1.8
97.10139	3.3
105.07025	10.4
107.08594	9.9
109.10136	6.1
111.08032	2.0
115.05408	3.2
116.06141	1.7
117.06959	7.9
118.77775	1.3
119.08563	4.8
121.06483	10.6
121.10117	5.1
123.08066	3.7
124.19501	1.3
125.09599	2.1
128.06216	3.3
129.07001	14.8
131.04927	10.0
131.08514	7.7
133.06447	6.9
135.08012	2.6
137.09575	1.9
141.06946	5.9
143.08546	11.0
144.05682	6.9
145.06470	86.9
145.10127	3.4
146.06862	1.8
147.08023	8.2
151.07524	3.5
155.08542	6.7
157.06453	11.0
157.10057	4.5
159.04366	1.5
159.08020	8.5
161.05940	5.0
165.07022	2.3
165.09085	5.6
167.06958	1.6
167.08513	5.9
169.06468	8.7
169.10106	5.0
171.08028	18.4
173.09662	2.2
175.11246	1.8
177.09062	1.5
179.08531	2.6
181.06451	3.5
181.10104	3.8
183.08072	7.3
183.11676	2.8
184.08772	2.2
185.09590	8.3
191.10690	2.4
195.07985	5.2
195.11671	13.1
197.09550	4.1
197.13193	5.5
199.07530	1.7
199.11081	3.1
203.10590	1.8
209.09529	3.1
209.13206	2.2
211.11189	8.5
213.12749	3.0
219.11742	2.8
221.09572	1.5
223.11090	3.6
225.12704	4.3
227.14317	9.6
233.13229	1.9
235.11176	2.8
237.12744	10.8
239.14165	3.2
243.13893	2.3
255.13773	14.5
257.15231	3.1
263.14413	2.0
265.16196	1.7
273.14798	33.8
275.14056	2.1
281.15329	3.4
283.16931	3.7
287.16306	2.1
293.15503	2.2
299.16330	3.8
311.16370	4.7
321.21954	4.0
325.17813	2.2
331.20520	3.7
339.23260	7.3
349.21603	35.8
367.22638	62.2
368.22952	2.6
385.23563	8.8
387.23080	2.5
395.25748	2.5
405.24246	11.6
423.25085	4.4
441.26236	100.0
442.26642	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2631
Annotation	Arieianal
Peak:m/z	Relative Intensity
53.03946	6.0
55.01864	6.1
55.05516	20.1
57.03415	3.7
57.07057	3.6
65.03912	3.8
67.05495	48.1
69.03421	7.6
69.07068	10.5
69.84000	15.1
69.84422	7.1
71.04966	4.5
79.05470	27.8
81.07053	33.2
83.04974	9.4
83.08614	8.1
91.05478	42.4
93.07032	71.9
95.04964	15.7
95.08598	100.0
97.06521	7.4
97.10165	6.2
98.20786	3.5
99.04430	6.4
105.07018	57.3
107.04912	5.0
107.08576	65.0
109.06528	8.6
109.10131	33.1
111.04404	7.0
111.08083	15.9
113.05956	4.1
113.33384	3.4
115.05419	4.8
117.07037	18.6
119.08562	54.4
121.06490	17.8
121.10134	37.1
123.04431	4.7
123.08029	17.8
123.11707	13.3
125.00068	4.5
128.06207	6.1
129.06995	17.8
131.08578	36.5
133.06477	12.7
133.10103	36.3
135.08038	16.3
135.11693	18.6
137.05890	3.9
139.07515	9.6
141.06989	7.1
141.09097	7.0
142.07739	8.6
143.08533	40.4
144.09329	4.7
145.06479	13.5
145.10115	54.1
147.08040	39.4
147.11691	21.4
149.06015	6.0
149.09622	9.0
149.13228	4.3
155.08551	19.1
156.09367	7.4
157.06509	5.2
157.10117	33.1
159.08018	20.9
159.11641	35.5
161.06009	5.2
161.09586	34.7
161.13261	10.2
163.07539	8.9
163.11194	8.9
163.14841	8.9
165.09148	5.1
167.07053	13.1
167.08508	7.7
169.10126	12.7
170.10808	5.8
171.08073	7.3
171.11649	28.0
173.09608	35.4
173.13284	14.7
175.07556	8.2
175.11194	11.6
177.09096	4.6
179.07071	6.4
179.08492	6.0
181.10117	11.2
183.11731	13.7
183.13394	3.6
185.09586	17.8
185.13219	9.8
187.07541	3.8
187.11172	62.5
187.14830	9.6
189.09111	41.7
189.12762	4.0
191.10712	6.5
194.10858	4.8
195.11739	12.3
197.09666	7.8
197.13246	12.4
199.11172	18.8
199.14844	6.9
201.09052	7.7
201.12718	11.5
201.16339	4.2
203.10648	12.2
205.12151	4.0
207.10132	12.1
207.11853	5.4
209.13368	8.3
211.11237	5.2
211.14780	6.6
213.12762	11.9
215.10670	11.6
215.14281	14.4
219.10045	6.8
221.13272	9.7
223.11217	7.3
223.14864	11.1
225.12776	6.3
227.10645	5.1
229.15952	3.9
231.10112	8.5
233.11644	62.8
233.15428	7.0
237.12488	4.2
239.14345	7.8
241.12126	5.6
241.15880	7.5
243.13780	5.8
245.11646	39.2
245.15462	5.1
249.29129	3.6
251.14276	4.5
253.15843	5.6
253.57376	4.6
255.17520	3.8
257.15414	3.5
259.13358	5.5
265.15845	6.1
281.15512	5.9
283.16867	22.1
299.16418	13.2
299.19772	5.4
301.17862	17.4
309.18555	8.6
327.19620	6.3
359.23792	5.1
367.22675	9.9
377.24677	14.5
381.24316	5.7
387.23291	6.2
388.75378	4.4
395.25949	22.1
405.24271	32.7
423.25296	56.7
423.30664	3.6
441.26022	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.263
Annotation	Arieianal
Peak:m/z	Relative Intensity
53.03939	7.8
55.05507	18.2
57.03413	4.6
67.05503	36.2
69.03415	5.4
69.07063	9.4
71.04991	5.6
71.53580	5.6
72.64098	5.1
79.05478	23.4
81.07056	38.6
83.04971	14.2
83.08602	10.7
85.02921	5.5
90.42566	4.9
91.05456	31.5
93.07029	61.3
95.04971	11.4
95.08031	9.1
95.08598	100.0
97.06509	10.4
99.04449	5.6
105.07021	47.5
107.04976	5.2
107.08591	55.3
109.06501	14.6
109.10135	36.5
111.08085	19.8
115.05462	7.4
117.07017	17.2
117.22892	4.7
119.08569	60.9
121.06471	24.9
121.10139	32.9
123.08076	18.8
123.11733	13.1
125.09604	7.1
125.99270	5.1
128.06207	8.9
129.07013	22.1
131.08551	39.0
133.06491	8.5
133.10104	42.4
135.08055	22.7
135.11702	20.2
137.09586	9.9
139.07501	9.1
141.07008	10.4
141.09100	5.7
142.07797	6.7
143.08540	42.7
145.06496	13.4
145.10101	50.1
147.08035	34.8
147.11703	16.4
149.09599	9.5
151.07504	5.4
152.21466	4.5
155.08543	13.7
156.09326	8.4
157.06523	6.1
157.10083	33.9
159.08060	21.8
159.11658	40.0
161.09616	40.4
161.13287	11.5
163.07605	10.6
163.11253	7.4
163.14880	6.2
165.09116	16.8
169.10117	18.1
171.08029	15.5
171.11697	17.4
173.09610	21.9
173.13217	7.8
175.07553	7.7
175.11201	14.8
177.09084	10.6
179.08624	5.8
179.10577	6.6
181.10118	11.2
182.10995	4.9
183.08087	6.7
183.11656	15.4
185.09674	15.9
185.13191	6.9
186.23151	6.7
187.11157	51.4
187.14769	10.2
189.09058	37.3
191.10703	10.3
191.14284	7.0
193.08600	5.3
193.10127	8.1
195.11679	16.1
197.13243	11.5
198.05634	4.3
199.11143	14.3
199.14763	11.4
201.12700	12.9
203.10628	13.5
203.14272	6.2
207.10175	17.9
209.13266	9.1
211.11150	8.1
211.14816	9.3
213.12781	10.0
215.10663	12.0
215.14330	11.1
217.12132	6.1
219.09975	8.4
221.11661	10.7
223.14784	7.2
227.14279	11.3
229.15811	7.8
231.10329	4.9
233.11650	48.4
233.15361	9.8
241.12207	7.2
241.15791	5.0
245.11580	33.6
249.12787	5.1
253.15970	5.2
265.15839	8.9
283.16867	18.3
299.16516	10.1
301.18005	16.0
323.20068	4.8
327.19495	14.7
349.21490	5.9
354.66736	6.1
359.23444	7.8
367.22687	8.6
377.24786	16.9
379.93344	5.9
387.23270	13.2
395.25909	23.6
405.24350	30.2
419.84995	5.3
423.25247	57.7
441.26212	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01253	1.4
53.03931	2.6
55.01864	2.9
55.05502	8.6
63.09832	1.3
67.05163	2.5
67.05496	32.8
69.03405	2.1
69.07051	4.1
70.77583	1.7
70.78591	4.3
70.78950	2.8
71.04979	2.0
79.05489	12.3
80.24466	1.5
81.07043	14.5
83.04968	3.7
83.08607	6.3
85.02876	2.6
85.06528	1.9
86.26639	1.5
87.58099	1.8
91.05473	20.1
93.07028	33.5
95.04945	18.4
95.08591	63.5
97.06509	2.2
97.10149	2.4
99.04379	1.8
105.07026	18.5
107.04945	2.3
107.08563	21.2
109.06504	8.2
109.10150	17.4
111.04425	3.0
111.08062	9.5
115.05424	2.6
117.07008	11.6
119.08569	14.8
121.06483	3.6
121.09280	2.6
121.10107	19.0
123.08053	10.7
123.11714	2.7
125.09650	3.0
128.06213	4.4
129.06998	18.7
130.07767	1.5
131.08546	28.1
132.30167	1.8
133.06477	5.3
133.10114	7.7
135.08044	3.7
135.11685	6.0
137.09578	7.7
139.07501	4.7
141.06995	9.6
141.09114	4.3
142.07794	5.5
143.08537	24.4
145.06477	11.6
145.10106	42.5
147.08028	7.4
147.11656	5.3
149.09592	2.4
149.13219	2.0
153.06987	2.9
155.07274	3.0
155.08548	21.1
156.09302	2.2
157.06490	4.5
157.10114	23.5
159.08034	21.6
159.11650	10.5
161.09608	5.8
161.13216	2.7
163.07536	4.8
163.11165	1.8
163.14801	2.7
165.07010	3.0
167.07111	2.9
167.08562	8.2
169.10104	16.5
170.60651	1.8
171.08061	13.1
171.11676	11.8
173.09605	37.4
173.13261	5.0
175.11237	2.2
179.08568	3.9
180.09341	2.0
181.10043	9.7
182.10803	1.8
183.07999	2.9
183.11676	4.7
185.09601	17.2
185.13200	5.9
187.11151	31.0
189.09154	2.6
191.10658	3.7
191.14384	2.2
195.11664	9.0
197.09610	6.8
197.13223	7.8
199.11130	8.6
201.09027	10.8
201.12668	2.4
203.10661	5.0
205.12212	4.9
206.10950	2.2
207.10182	6.2
207.11914	2.7
209.09590	3.6
209.13222	6.6
211.14868	2.7
213.09074	4.1
213.12666	3.1
215.10645	29.6
215.14113	3.5
217.12270	4.1
219.10121	28.6
221.13359	3.6
223.14784	6.9
227.10696	8.2
227.14331	2.4
229.12270	3.8
231.10106	3.0
231.13568	2.2
233.11693	100.0
234.12070	2.0
235.14807	2.9
237.12617	2.9
237.16396	3.0
239.14325	3.2
241.12241	2.0
241.15794	2.2
243.10213	2.2
243.13779	2.0
245.11679	38.7
246.12022	2.3
247.13153	2.0
257.15335	6.6
259.13422	2.9
259.16977	1.9
261.14835	2.9
265.15704	3.1
271.16907	2.4
275.16434	4.3
283.16898	9.6
285.18317	4.7
287.16370	14.5
291.17343	2.4
299.16403	6.5
301.17914	64.6
303.19788	1.9
309.18686	2.0
313.17865	5.2
321.23221	1.6
327.19492	21.1
339.19733	2.2
359.23578	2.2
365.20627	1.7
367.22641	3.1
377.24774	5.6
387.23141	3.9
395.25806	8.4
396.26382	1.8
405.24280	11.4
423.25296	20.4
441.26312	62.6
442.26700	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22382	1.9
53.03921	2.8
55.01866	3.9
55.05494	14.1
57.03214	1.9
57.03429	21.0
59.31176	2.2
67.05499	29.9
69.03420	4.3
69.07065	18.7
71.05000	2.8
71.07634	6.4
79.05486	10.8
81.07050	36.8
83.04972	6.1
83.08602	9.3
85.06532	5.5
91.05476	14.2
93.07042	18.6
95.04964	3.8
95.08600	28.8
97.06499	4.6
97.10161	5.5
99.04435	2.0
105.07024	15.3
107.04929	2.6
107.08595	19.9
109.06490	4.5
109.10148	43.0
110.10491	3.0
111.04430	5.3
111.08074	5.1
111.11702	3.7
113.09628	19.6
115.05415	2.1
117.07022	5.0
119.04908	4.0
119.08562	13.4
121.06480	4.2
121.10133	14.2
123.08058	7.3
123.11696	9.1
125.09614	5.4
129.06981	5.7
131.08545	9.3
133.10144	9.1
135.08046	10.9
135.11688	5.8
137.05992	2.6
137.09607	11.9
137.13307	3.2
139.07491	2.9
139.11185	3.1
141.09084	9.5
142.07715	2.5
143.08519	6.3
145.06470	9.0
145.10095	7.8
147.08014	5.4
147.11653	6.0
147.12727	2.4
149.09583	12.4
149.13219	6.2
151.07526	43.3
155.08505	3.1
155.10597	3.4
157.10124	8.1
159.08041	9.4
159.11681	5.7
161.06023	3.4
161.09570	6.6
161.13197	3.8
163.11172	5.4
163.14827	3.7
165.09105	100.0
167.07031	5.3
169.10124	3.9
171.08020	2.2
171.11636	3.3
173.09721	3.5
173.13161	4.1
174.06844	2.3
175.07530	5.9
175.11186	6.9
175.14824	4.8
176.08333	3.7
177.09079	56.8
177.12706	2.5
177.16396	2.7
178.09438	2.5
179.10672	3.5
183.07941	2.7
185.09598	8.0
187.11125	4.6
188.08305	12.4
189.09082	19.5
189.12628	2.9
190.09798	2.9
191.10646	35.0
197.09654	3.5
199.11171	7.5
201.09068	16.0
202.09839	8.2
203.10655	43.3
205.12247	25.0
213.12729	4.8
214.09995	3.0
215.10643	11.8
217.12146	17.0
225.12756	2.6
227.14218	3.7
229.12219	15.9
231.13783	9.9
241.12186	3.5
243.13708	3.7
245.15329	2.9
249.16719	2.2
255.13815	2.5
263.83331	2.3
269.15222	4.9
271.16913	6.5
273.14740	4.9
283.16879	3.7
285.18478	4.2
297.18463	5.9
315.19458	3.9
349.21765	4.5
350.69177	2.1
367.22650	11.5
405.28058	3.0
423.28772	14.1
441.25320	8.3
441.30432	51.7
442.30429	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
55.05502	20.3
57.07058	5.3
60.32214	2.1
63.33425	1.9
65.03921	2.4
67.05496	28.5
69.03410	5.5
69.07055	17.4
71.04972	6.4
71.54440	1.9
71.54863	3.3
79.05489	19.6
81.03397	2.8
81.07047	48.1
83.04948	6.0
83.08624	10.4
85.02883	4.9
85.06524	3.8
91.05477	18.2
91.53622	2.2
93.07029	24.4
95.04952	6.4
95.08596	44.1
97.06523	3.1
97.10152	8.0
105.07018	20.1
107.04969	3.5
107.08572	21.5
109.06465	4.3
109.10145	33.4
111.04420	6.7
111.08076	5.0
111.11701	3.0
112.09241	2.1
113.09606	2.6
114.32900	1.9
115.05421	3.2
117.07003	6.4
119.08545	14.6
121.06467	11.3
121.10121	13.7
123.08043	9.9
123.11684	15.5
124.82030	2.6
125.09645	4.2
128.06194	3.3
129.07014	10.5
131.04907	6.4
131.08551	17.9
133.06445	5.1
133.10094	7.6
135.08012	13.5
135.11644	4.5
137.06004	4.5
137.09602	10.6
137.13251	6.9
141.07008	7.4
142.07721	3.7
143.08560	15.3
144.05705	4.8
145.06470	46.3
145.10089	15.6
147.08032	5.4
147.11661	4.6
149.09589	12.1
149.13226	6.1
151.07526	72.1
155.08542	5.7
156.09377	2.6
157.06487	6.1
157.10095	9.1
158.07191	2.2
159.08046	15.1
159.11684	10.6
160.08777	4.0
161.05991	5.2
161.09618	10.7
161.13179	2.5
162.06747	6.0
163.11145	4.2
163.14775	4.4
165.09097	62.1
167.07014	3.2
167.08554	2.9
169.06453	3.9
171.08029	10.5
171.11629	2.8
171.61545	2.6
172.08638	3.1
173.09607	8.7
174.06808	2.6
175.07597	7.9
175.11203	6.6
176.08295	7.6
177.09096	100.0
177.16281	2.3
179.10620	4.3
181.10034	2.4
183.08011	4.7
183.11575	2.4
185.09627	11.5
185.13211	3.8
187.11186	8.6
187.14784	3.2
188.08279	9.4
189.09102	29.5
189.12680	4.5
190.09792	4.7
191.08879	4.0
191.10641	63.6
195.08128	3.9
195.11705	7.1
197.09653	5.1
197.13284	4.0
199.11145	11.0
201.09172	5.1
202.09875	5.2
203.10643	42.5
205.12212	41.5
211.11108	5.9
213.12697	4.3
215.10535	4.1
215.14282	3.3
217.12213	13.2
217.15991	2.5
219.13770	2.5
223.11136	5.4
225.12701	4.6
227.14314	7.4
231.13786	33.9
237.12750	4.0
239.14439	3.4
243.13797	4.8
245.15289	21.5
255.13808	8.7
273.14819	16.5
283.16907	2.7
287.16577	2.9
293.66650	2.7
299.16534	3.2
311.16547	2.9
339.23172	4.8
349.21600	18.9
367.22650	34.5
385.23676	8.8
402.70087	2.5
405.23944	4.5
423.32855	5.1
441.26096	59.2
441.33499	22.9
442.26801	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.74283	7.0
55.05490	22.8
57.31773	6.6
67.05496	37.5
69.07042	32.3
71.04977	10.6
71.54787	10.9
79.05495	17.3
80.73660	6.5
81.07044	61.9
83.08617	13.1
87.04454	7.6
91.05466	27.5
93.07021	52.8
95.04942	6.9
95.08595	100.0
97.10180	9.3
105.07020	58.9
107.08562	71.1
109.10143	99.9
113.09635	7.0
119.08559	52.8
121.10133	63.2
123.11699	44.5
127.11176	20.4
131.08557	17.2
133.10118	61.9
135.11662	52.8
137.09584	7.3
137.13208	13.7
145.10103	27.9
147.11635	51.9
149.13214	15.7
159.11710	33.1
161.13213	62.2
165.09206	11.1
173.13258	20.2
175.14792	17.0
177.16441	9.2
185.13380	7.7
187.14775	14.3
189.16420	23.1
191.17963	10.3
193.19514	8.1
201.16357	29.3
203.17918	66.8
213.16301	11.2
215.17940	18.8
217.12265	8.7
217.19441	20.3
219.17397	21.4
225.71742	6.8
227.85533	6.1
229.19511	7.6
233.18839	6.9
423.36096	61.0
440.62686	7.6
441.37698	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68769	1.6
53.03950	2.6
55.05507	74.0
57.03431	24.2
57.07070	69.0
61.24105	1.7
67.05499	25.9
69.07063	81.9
71.04991	2.5
71.08261	4.0
71.08622	39.4
71.52757	3.9
72.09801	1.8
76.20496	1.8
79.05506	10.6
79.05879	2.0
81.07055	35.9
83.08617	53.3
85.06548	2.3
85.10169	23.6
88.13247	1.9
93.07041	15.2
95.08596	34.4
97.06519	13.0
97.10155	37.1
104.98502	1.9
107.08584	13.6
108.56276	2.0
109.10152	15.6
111.08088	8.1
111.11741	11.0
115.07586	2.2
116.50166	2.1
119.08618	2.1
121.10132	15.0
123.11708	7.4
125.09618	8.2
125.13216	3.5
129.09172	2.0
135.11684	13.7
137.13251	3.8
139.11177	4.7
143.10706	2.4
149.13257	12.2
153.12747	4.9
163.14777	5.4
165.09132	3.9
167.14285	3.6
177.16423	2.8
181.15874	2.5
191.17937	2.3
195.17456	3.8
203.10698	6.7
205.19576	4.3
223.20578	2.6
331.33603	3.4
349.34543	18.4
385.53455	2.1
423.38443	14.9
441.39389	100.0
442.34433	2.6
442.39713	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.2
57.07054	6.4
58.53446	3.6
67.05481	14.5
68.62780	3.3
69.06714	4.6
69.07057	34.8
69.22549	30.0
69.22953	8.2
71.08236	3.8
71.08650	4.3
79.05474	5.7
81.07049	45.1
83.08604	9.5
91.05450	5.2
93.07026	19.2
95.08591	100.0
97.10170	3.7
99.08086	18.9
105.07019	15.1
107.08580	26.4
109.10137	48.0
111.11699	5.0
113.09618	16.1
119.08544	14.7
121.10129	31.9
123.11707	34.5
133.10103	13.8
135.11710	26.1
137.13208	7.8
141.12709	4.1
147.11679	13.2
149.13248	16.9
159.11705	5.1
161.13242	11.2
163.14801	8.9
165.09171	3.8
173.13258	4.4
175.14859	6.4
177.16406	5.7
189.16342	6.1
191.17941	51.4
201.16364	5.0
203.17918	11.4
205.19432	6.6
217.19470	9.6
237.22148	3.8
249.22212	9.2
341.16403	3.3
441.41064	32.0
449.51514	3.8
458.68741	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	441.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72215	1.1
55.05500	10.9
57.07078	6.8
57.08565	1.2
65.03947	1.5
67.05498	23.1
69.07062	24.6
71.48807	2.9
79.05486	10.5
81.07047	44.2
81.07504	2.8
83.08605	13.8
83.18747	1.1
85.06538	1.4
91.05468	6.6
93.07030	22.8
95.08595	100.0
96.08949	1.3
97.10153	6.9
99.08086	16.1
105.07024	13.2
107.08578	34.8
107.09267	2.3
109.10145	58.7
111.11733	3.0
113.09628	13.9
119.08559	17.4
119.09319	1.4
121.10131	31.9
123.11697	33.8
123.12554	2.4
125.13271	2.2
127.11148	2.5
131.08543	3.0
133.10118	11.6
135.11687	26.6
137.13248	11.6
141.12718	2.9
145.10124	3.4
147.11653	12.2
149.13239	21.4
151.14821	2.2
159.11685	4.1
161.13219	8.2
163.14803	10.3
168.46718	1.3
173.13264	3.7
175.14832	5.3
177.16379	5.8
179.39067	1.2
187.14815	2.9
189.16370	11.1
191.17924	51.6
193.19447	1.2
201.16396	3.6
203.17938	13.9
205.19525	6.3
215.17923	1.5
217.19492	17.4
219.21048	1.5
223.20753	1.5
223.31383	1.7
224.83342	1.3
229.19531	2.0
229.36525	1.4
231.21062	2.8
235.20573	1.5
237.22054	7.8
243.21098	2.0
249.22206	10.1
249.88245	1.3
251.23721	3.5
255.21127	1.5
257.22601	3.8
259.24246	1.9
285.49908	1.3
286.57626	1.5
291.26917	1.6
299.27258	3.0
313.16348	1.4
317.28290	2.4
375.39032	1.3
441.40955	44.4
442.40836	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	443.1907
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
57.03432	8.0
69.03420	11.1
69.40505	26.7
69.40934	43.1
70.06587	9.5
79.05487	15.6
81.07014	10.9
82.99879	8.1
85.02873	16.9
86.09682	10.9
93.07015	13.6
98.20771	15.3
101.40919	9.8
105.07027	13.3
107.04936	9.8
109.06534	9.4
119.08559	14.4
123.04428	12.8
123.08056	6.9
128.06160	7.7
135.08043	100.0
139.03879	23.8
143.08533	11.0
144.09435	6.9
151.03859	10.9
159.08029	13.2
159.11638	20.6
161.09586	11.2
173.09575	18.0
183.41211	7.5
187.11191	45.3
203.10646	10.0
215.10675	31.4
233.11649	43.1
245.11714	33.2
246.14825	7.6
263.12756	24.2
263.16376	11.6
281.14377	9.5
443.13443	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2787
Annotation	Thunbergol A
Peak:m/z	Relative Intensity
52.22294	4.3
53.03937	4.9
55.01859	6.9
55.05499	19.4
56.12150	5.3
57.03399	6.9
65.03935	4.1
67.05493	39.4
69.07047	13.1
69.29393	35.0
69.29803	8.2
79.05485	38.9
81.07048	53.0
83.04955	11.0
85.06581	4.4
91.05471	45.8
92.08732	4.6
93.07026	62.1
95.04945	13.6
95.08041	8.4
95.08596	100.0
97.06527	6.2
99.33873	4.7
103.05497	5.2
105.07027	51.4
107.04939	7.5
107.08561	46.0
109.06496	9.6
109.10145	24.1
111.08039	13.9
113.05960	5.0
117.06995	19.1
119.08579	65.4
121.06467	9.2
121.10144	39.6
123.08057	11.0
123.11678	14.3
125.09631	6.3
129.06984	20.3
131.08565	48.5
133.06503	11.2
133.10109	45.6
135.11662	27.3
137.06021	6.2
137.09595	8.8
139.07526	5.3
139.11189	5.2
142.07726	11.5
143.08530	22.7
145.06403	7.5
145.10098	50.7
147.08040	20.4
147.11658	29.6
149.09586	18.7
151.07495	6.6
151.11153	8.7
155.08539	10.0
157.10114	40.8
159.08046	10.1
159.11700	30.6
161.09579	9.7
161.13257	28.2
163.11159	8.5
165.09076	48.3
167.07008	7.9
167.08565	6.4
169.10049	11.6
171.11676	10.4
173.09570	13.0
173.13245	13.5
174.93903	4.5
175.11163	33.2
175.14769	4.9
177.09151	6.2
177.12701	7.1
183.10172	6.2
183.11671	10.5
185.09576	12.4
185.13263	6.4
187.11322	4.9
187.14784	11.7
189.12680	6.0
189.16353	8.3
193.12236	6.0
195.10179	7.2
197.13249	8.9
201.12735	13.6
203.10625	10.0
205.12222	8.1
207.11752	5.8
209.11636	17.5
209.13338	6.7
211.11191	5.4
213.12808	5.0
213.16426	5.7
215.14194	15.5
217.15897	5.7
219.13756	5.8
221.09633	7.9
221.11697	99.3
223.13141	5.8
229.15819	7.9
233.13281	6.3
233.15594	5.5
235.16896	16.3
292.56787	5.0
303.19504	14.2
353.24496	5.5
379.26291	18.6
389.24231	6.5
397.27542	10.8
407.25583	14.3
425.26529	18.6
443.27600	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
56.05026	0.5
57.03677	0.3
58.06570	0.3
60.04505	0.8
60.05639	5.8
65.38876	0.2
67.05477	0.6
69.03417	0.8
69.07057	8.2
70.06582	18.5
71.04980	0.5
71.32927	0.5
72.04475	0.3
72.08144	1.0
79.05468	0.5
84.08124	0.3
85.02887	0.8
86.09692	100.0
87.10015	0.9
91.05469	0.5
93.07000	0.4
95.04968	0.5
95.08596	0.4
97.02870	0.3
97.07587	0.5
98.61246	0.3
105.07001	0.5
112.08720	3.2
113.03954	0.3
113.07123	0.6
114.05517	0.7
114.10263	0.3
115.08665	3.5
116.07075	7.7
119.04923	0.3
119.08556	0.5
128.10696	17.1
130.09760	2.8
133.09718	0.7
138.05348	0.3
139.03915	0.4
139.05022	0.4
145.04993	0.4
156.10173	1.2
156.11288	8.3
157.10822	0.5
158.09224	6.1
161.05862	0.3
161.09682	0.3
175.11884	17.4
176.12216	0.5
181.06030	0.3
220.19124	0.3
226.15436	0.6
234.39926	0.3
251.17497	0.3
253.16628	0.7
269.18558	0.9
271.17609	8.7
281.13684	0.3
282.76614	0.3
284.16150	0.4
288.20285	0.9
302.17044	0.5
312.15494	0.7
330.16788	0.4
388.17264	0.3
401.27603	0.4
425.28503	0.7
443.29712	88.4
444.29953	4.5
448.17987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63988	0.2
53.00285	0.3
53.03923	0.9
55.01850	0.6
55.05267	0.4
55.05503	5.4
57.03408	0.3
57.06868	0.2
57.07063	2.0
59.04994	0.4
65.03922	0.7
67.01846	1.5
67.05494	7.5
69.03399	0.6
69.07059	7.2
70.66142	0.3
70.66488	0.6
71.04982	5.7
71.08622	0.4
73.06531	0.3
77.03905	0.3
79.05055	0.4
79.05478	4.4
81.07043	21.6
82.07350	0.3
83.01337	0.5
83.04968	1.3
83.08604	3.7
85.02876	0.7
85.06519	0.7
90.34356	0.2
91.05461	4.5
93.07027	13.8
94.07352	0.4
95.04959	1.6
95.08591	17.5
97.06481	0.8
97.10147	1.9
99.08087	1.8
103.05432	0.2
105.07009	3.3
107.04919	0.3
107.07854	0.4
107.08575	7.9
109.06493	3.2
109.10135	14.1
111.04369	0.3
111.08048	0.9
111.11680	0.9
113.09622	1.0
115.05413	0.4
117.06981	0.6
119.04951	0.5
119.08555	3.3
121.06498	2.7
121.09309	0.4
121.10123	5.5
123.04433	0.5
123.08067	1.5
123.11684	7.1
125.09593	0.5
125.13221	0.6
127.11166	1.6
129.07005	0.4
131.08548	1.3
133.06461	0.6
133.10132	2.3
135.08060	1.4
135.11676	6.7
137.05951	6.8
137.09564	1.0
137.13232	3.8
139.03847	0.8
139.07513	3.9
139.11142	0.7
141.05444	4.7
141.06604	0.3
141.06850	0.2
141.12709	0.7
143.08562	0.8
143.24158	0.2
144.09288	0.3
145.10139	1.3
147.08025	1.2
147.11664	1.7
149.05943	5.0
149.09581	0.6
149.13245	4.3
151.07515	11.4
151.11162	0.2
151.14842	0.6
152.07957	0.2
153.04465	0.3
153.05461	2.9
153.12703	3.6
157.10106	0.7
159.08064	1.4
159.11629	1.9
160.08730	0.3
161.05937	1.7
161.09573	0.9
161.13237	0.9
163.07533	0.9
163.11201	0.4
163.14812	1.8
165.05458	11.9
165.09073	2.8
165.12735	0.3
167.07007	100.0
168.07344	1.6
171.11658	0.3
172.08788	0.6
173.09589	1.0
173.13220	0.4
174.10416	0.2
175.07500	2.6
175.11115	0.7
175.14783	0.9
176.08276	0.3
177.05473	0.8
177.09102	1.8
177.12622	0.3
177.16370	2.4
178.06226	0.9
179.06989	1.8
179.10652	1.0
181.08568	2.6
181.15863	0.3
185.09581	0.7
187.07584	0.5
187.11180	1.5
187.14792	0.5
188.08255	0.6
189.09071	4.5
189.12715	0.3
189.16377	0.9
191.06996	3.3
191.10608	1.6
191.17921	1.8
192.07809	0.6
192.43752	0.3
193.08571	2.9
199.11130	0.6
200.08304	0.4
201.09033	1.2
203.10677	2.8
203.17949	1.5
204.07610	0.3
205.08574	7.0
205.12192	2.0
205.19499	1.1
207.10126	7.2
207.12041	0.4
211.11215	0.2
213.12703	0.3
214.09874	0.3
215.10635	3.2
215.14206	0.3
217.08636	0.4
217.12207	1.0
217.19409	0.4
219.10114	3.6
219.13614	0.5
221.11679	1.8
227.14374	0.3
229.12201	1.9
231.13762	0.5
233.11679	3.4
235.13304	0.7
243.13887	0.6
245.22511	0.3
247.13274	1.6
249.14857	0.4
257.15439	0.5
259.13217	0.3
261.14856	0.6
261.25925	0.5
263.23630	0.3
271.24152	0.2
275.16406	0.5
277.18115	0.4
277.25223	1.0
285.18396	0.6
289.25137	0.5
291.19458	0.3
303.19513	0.8
308.45810	0.2
314.19180	0.3
320.67633	0.5
339.23306	0.4
343.22678	0.5
345.24527	0.3
351.14340	0.3
357.24219	2.7
369.24216	0.4
373.27435	0.5
382.36606	0.4
383.25369	0.3
407.29153	0.4
425.30447	7.7
426.30826	0.4
443.19241	0.3
443.31512	9.3
444.40701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.05505	8.2
57.07055	1.8
63.88081	0.7
64.05237	0.7
64.80105	0.7
67.01865	2.1
67.05498	8.0
69.03418	3.7
69.07063	21.7
69.28805	0.7
69.72545	3.1
69.72961	1.8
71.08600	0.7
79.05486	6.7
79.43814	0.7
81.07051	18.2
83.04962	3.0
83.08614	5.4
85.02888	1.1
91.05453	5.5
93.07039	14.5
95.04951	1.9
95.08598	18.8
97.06518	5.1
97.10145	2.8
99.08111	1.7
105.07032	4.3
107.08582	11.5
109.06501	3.3
109.10152	9.2
111.04425	0.9
111.08075	2.1
113.09618	2.9
117.07056	1.1
117.10166	0.7
119.08597	4.1
121.06484	2.1
121.10130	11.3
123.08068	2.7
123.11720	4.9
125.09629	1.9
129.06921	0.8
131.08554	1.8
133.06390	0.8
133.10117	3.5
135.08054	2.2
135.11653	7.7
137.05963	7.4
137.13239	1.7
139.03920	1.1
139.07512	4.7
139.11169	9.5
140.56140	0.7
141.05460	1.8
143.08531	1.3
145.10088	2.7
147.08057	1.9
147.11600	2.1
149.05936	5.1
149.09576	1.3
149.13237	7.2
151.07512	10.8
151.14764	1.4
153.05443	6.9
153.12726	1.3
155.08502	1.0
157.10075	1.0
159.08023	2.1
159.11681	2.7
161.05954	2.1
161.09575	1.2
161.13269	1.2
163.14836	3.2
165.05475	10.2
165.09109	2.8
167.07027	100.0
168.07310	1.2
169.10115	1.1
173.09589	1.4
173.13326	1.3
175.07524	2.9
175.14830	0.9
177.09094	2.9
177.16351	2.0
179.07063	1.7
179.10750	1.3
181.08620	2.1
183.11580	0.7
187.11177	0.9
189.09103	6.3
189.16435	1.4
191.06953	3.7
191.10660	1.7
191.17966	1.3
193.08615	1.4
201.09148	1.4
203.10669	4.5
203.17935	0.9
205.08598	7.9
205.12177	1.7
207.10162	5.2
215.10599	2.4
215.17911	0.9
217.12219	2.2
219.10117	7.2
221.11647	1.7
229.12222	1.0
231.13814	0.9
233.11699	2.5
235.13310	1.2
236.99031	0.8
246.83775	0.7
257.15363	1.1
293.17413	3.1
355.22723	0.8
369.24341	2.4
415.26556	1.0
416.04407	0.8
425.30386	10.0
443.26135	2.0
443.31516	23.2
444.31366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93414	12.3
69.42612	20.6
69.43011	100.0
77.57004	15.2
79.05448	16.0
107.04922	41.1
115.06507	13.3
173.09534	12.2
187.11172	25.7
201.12668	14.1
219.23964	13.5
229.12210	21.0
247.13319	46.3
265.14279	15.6
359.02853	20.1
421.69217	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	444.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05786	1.3
54.42236	1.2
55.05511	3.4
67.05486	3.0
69.03416	2.6
69.07076	1.5
69.69278	1.5
70.06568	2.8
73.04738	1.7
74.34548	1.2
76.02635	1.3
79.05480	3.8
83.04973	20.7
85.02892	5.0
87.04459	1.5
91.05762	6.8
93.07013	6.1
95.08588	1.8
105.07033	5.5
107.08578	31.8
109.02905	1.7
109.06499	2.7
109.10144	2.9
111.08066	2.0
112.56959	1.6
117.07028	1.8
119.08543	3.9
121.06490	4.5
121.10112	2.5
123.07977	1.9
127.03880	2.2
131.08597	2.9
133.10127	3.3
135.08037	23.5
137.05968	2.9
137.09648	2.6
147.04395	4.0
150.84416	1.6
151.07521	3.5
153.09149	2.9
155.27368	1.6
159.08075	1.6
159.11687	6.3
161.09602	1.5
163.07515	14.7
165.09154	1.8
167.05490	3.7
167.06920	3.5
173.09500	1.5
173.13272	2.7
175.11293	1.4
175.14998	1.4
177.09099	1.5
177.12743	2.9
181.08611	2.6
187.11166	6.2
191.14333	2.0
201.12683	3.9
205.12276	4.8
209.08026	3.5
209.69234	1.5
219.13788	17.1
229.12268	2.5
241.04878	2.7
247.13304	6.6
265.14337	100.0
266.14651	3.6
269.04407	4.2
297.03918	10.3
298.04388	1.6
303.95889	1.9
359.02701	6.9
413.08789	8.3
444.23779	3.0
445.16547	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	445.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
56.05010	0.6
58.99588	0.6
70.06563	1.7
71.52966	0.5
73.04736	2.1
74.00653	0.6
76.03978	1.3
79.05496	0.7
80.04986	0.6
81.03386	0.6
84.04498	6.4
85.02885	0.5
85.03999	1.3
86.09679	0.7
89.07122	0.9
89.91496	0.4
91.05811	6.7
93.05759	1.3
94.06523	1.8
97.02869	0.6
97.38715	0.5
99.02661	1.7
99.05558	0.7
103.94126	0.6
105.07013	0.5
106.06524	1.1
108.08092	1.6
109.08887	0.9
110.05991	1.0
110.09659	0.8
111.02682	0.5
113.03443	0.8
113.04179	0.6
116.01630	0.8
118.06514	0.9
119.07298	1.3
122.06001	5.8
123.04385	0.5
124.02129	0.8
125.02926	0.9
126.03699	1.4
127.02071	0.8
127.04498	1.1
130.04971	3.6
131.04527	1.1
136.07579	1.0
137.08340	37.1
138.09138	8.8
140.10674	1.6
142.06836	1.0
142.50056	0.5
145.06053	0.5
147.04379	0.5
152.05257	4.0
154.40204	0.5
162.02173	0.8
163.03851	1.2
167.05594	3.3
170.06325	100.0
171.06625	2.2
172.07851	1.3
177.03279	4.6
180.12428	0.6
185.03767	1.8
196.06123	0.8
196.07878	9.7
206.06383	1.1
213.10597	1.9
223.08960	1.4
224.07372	11.8
225.04289	1.4
231.04330	5.8
241.10004	5.6
279.11642	1.7
288.06619	0.8
297.56604	0.5
298.12122	1.4
316.13171	6.8
342.99545	0.7
343.99530	0.5
352.12985	1.1
359.02881	4.8
370.14410	1.2
445.16177	1.1
445.20560	1.2
445.26312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.98869	0.8
55.05497	1.0
56.05014	2.8
56.96545	3.2
56.96798	0.9
57.03434	1.4
58.32666	0.7
61.02902	2.1
65.03918	0.9
67.05480	1.7
69.03421	6.2
70.26984	3.5
71.04991	1.1
72.08157	1.1
73.02915	1.6
73.04748	6.5
79.05470	1.5
81.03410	2.3
83.04990	1.9
84.04488	1.1
84.08131	100.0
85.02894	14.7
85.08459	0.9
85.86185	0.7
87.04442	1.4
89.03898	8.5
89.06062	0.8
91.05783	25.8
93.03410	0.9
95.04955	1.7
97.02878	6.1
98.97564	1.4
99.04462	1.3
107.04942	2.8
108.62997	0.8
109.02900	1.8
111.04433	1.9
114.07384	1.2
117.03362	6.1
119.04906	1.4
127.03886	2.9
130.08623	30.8
135.04384	11.7
136.03908	1.2
139.03908	3.0
140.04262	1.1
143.00157	1.3
145.02742	5.7
145.04877	1.2
147.04391	5.2
149.04582	0.9
152.05672	6.2
154.14186	0.9
160.07544	0.8
161.01247	0.8
163.03879	52.7
164.04298	4.7
167.05525	10.8
167.84000	0.7
169.25583	0.7
189.00696	1.3
192.06525	1.9
202.08574	8.3
215.03911	1.3
219.01588	1.2
220.09660	22.5
225.04288	4.8
227.02272	2.2
237.02689	1.7
237.12309	10.4
256.11838	1.3
265.11774	6.0
274.02048	1.0
283.12848	21.8
341.01471	1.0
342.71887	0.9
342.99750	2.6
359.02802	16.2
429.09119	1.1
445.18335	3.7
447.11038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17230	3.1
55.05502	3.8
56.96558	7.6
69.88373	19.0
70.06588	6.7
73.04738	13.5
81.07030	3.8
83.04975	3.9
83.40643	3.6
84.04477	3.1
85.02884	3.6
86.06017	3.1
86.09686	4.6
91.05795	40.0
98.97583	19.9
116.98601	12.7
117.92059	4.1
134.99644	4.8
137.08311	11.7
138.09114	4.0
139.03847	3.9
142.48384	3.1
147.04440	4.1
149.04466	4.2
158.99651	5.6
163.03877	3.5
167.05557	20.4
170.06346	26.3
177.00685	4.4
181.08926	3.7
196.07845	6.2
224.07364	3.9
225.04404	5.7
225.08015	4.3
226.86383	3.3
239.73285	3.2
275.70279	3.9
283.12109	3.9
325.13239	15.8
342.99634	4.1
343.14215	7.0
359.02805	24.8
367.61667	3.3
445.18149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55552	3.1
53.03931	10.8
55.05500	16.2
57.03419	16.0
67.05500	45.1
69.03413	26.8
69.07057	13.9
69.19126	5.6
69.19528	37.1
71.04983	100.0
79.05484	18.7
81.03413	65.8
81.07042	71.8
83.04977	16.7
83.08621	7.6
85.02892	13.6
85.06528	12.2
91.05458	42.0
93.07030	25.3
95.04958	6.8
95.08582	15.4
97.02869	33.9
97.06524	6.6
97.10124	3.6
99.04450	11.8
105.07025	21.9
107.08601	22.2
109.02871	6.6
109.10126	15.9
111.04462	4.9
111.08125	3.7
117.06990	7.4
121.10160	8.1
123.11678	18.2
126.03320	3.0
127.03937	9.5
129.05457	9.1
131.08537	6.1
133.10118	34.2
135.11644	4.7
149.13271	12.0
151.07494	5.2
151.11192	19.7
159.11679	11.5
165.05492	3.0
167.07010	19.6
173.04451	32.9
177.12733	10.6
183.13774	14.9
187.13326	29.1
189.09099	3.5
195.13786	10.3
201.14798	18.4
212.74484	3.9
243.15909	3.9
257.17459	68.0
301.20282	5.1
339.18112	5.6
413.22015	15.4
427.32004	4.8
445.24240	71.5
445.33505	6.0
446.24249	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56576	1.1
53.03930	3.2
55.01860	3.4
55.05502	11.4
55.54303	1.0
57.03405	1.9
57.07054	1.4
65.23487	1.1
67.05166	1.5
67.05499	19.0
69.03397	2.4
69.07049	6.6
71.04979	1.2
71.53767	1.3
73.65244	1.1
79.05482	10.2
81.03380	2.2
81.07047	19.4
83.04966	15.7
83.08600	4.1
85.06544	1.6
91.05436	18.6
93.07029	26.8
95.04474	1.0
95.04975	8.6
95.08594	48.4
96.08886	1.2
97.02882	1.3
97.06530	2.9
97.10137	1.7
99.04433	1.4
99.08030	1.1
105.07018	19.1
107.04918	2.2
107.08582	27.5
109.06493	5.6
109.10138	10.8
111.04421	8.1
111.08057	7.9
115.05442	2.9
117.06995	5.0
119.08567	14.9
121.06491	5.0
121.10131	14.0
123.08059	8.0
123.11684	5.7
125.05952	1.4
128.06223	5.9
129.06999	7.2
131.08553	10.8
133.06464	1.1
133.10114	14.2
134.10870	1.5
135.08020	3.9
135.11682	4.8
137.05972	2.7
139.07542	5.5
141.06981	6.4
141.09145	1.8
142.07791	7.1
143.08548	11.7
144.09351	1.4
145.06459	1.8
145.10097	15.7
147.08049	3.5
147.11725	6.2
149.09590	2.9
149.13251	1.9
151.07542	1.6
152.06177	2.3
153.06966	6.0
154.07755	6.7
155.08546	15.1
156.09297	3.6
157.06477	4.2
157.10103	10.6
158.07204	2.3
158.10976	1.1
159.08037	6.4
159.11659	9.9
160.08875	1.6
161.09566	7.2
161.13184	2.3
165.06953	7.0
166.06325	2.6
166.07755	3.8
167.05551	2.2
167.06992	13.9
167.08551	9.6
168.07358	2.3
168.09340	7.7
169.06453	4.4
169.10103	16.6
170.07260	2.0
170.10835	3.4
171.08043	9.0
171.11627	5.7
172.08783	3.4
173.09607	4.4
173.13228	4.2
175.11156	3.9
175.14838	1.5
178.07767	4.7
179.08511	9.9
180.09302	4.5
181.06458	13.0
181.10100	8.2
182.07234	6.8
182.10925	4.2
183.08009	9.6
183.11671	27.8
184.08804	3.8
184.12233	1.4
185.09608	6.3
185.13219	8.3
186.10405	1.6
187.11147	5.7
187.14749	3.0
189.12767	2.0
190.07755	1.6
191.08533	4.7
191.14357	1.9
192.09329	4.3
193.10100	11.5
194.07202	2.5
194.10823	3.7
195.08058	9.7
195.11694	13.6
196.08789	12.3
197.09590	37.9
197.13248	7.7
198.10274	2.5
199.11134	9.6
199.14876	2.5
200.11850	2.3
201.11006	1.1
201.12761	4.2
202.07802	1.7
203.08574	2.1
204.09294	2.1
205.10127	6.8
206.10851	5.7
207.08046	4.9
207.11636	9.2
208.08821	4.7
208.12390	1.9
209.09598	9.7
209.13217	5.9
210.10388	1.5
211.11154	83.6
211.14769	4.9
212.11662	3.9
213.12697	20.4
215.08638	1.7
215.10582	1.4
215.14235	2.9
216.09245	2.6
217.10109	4.9
218.10855	2.2
219.08029	3.2
219.11702	5.8
219.13594	1.3
220.08746	3.1
220.12440	3.6
221.09599	11.0
221.13177	7.8
222.10304	3.0
223.09145	1.7
223.11136	11.9
223.14758	3.2
224.11613	1.3
225.12686	24.2
226.13127	1.3
227.14383	5.6
229.10115	2.3
231.11659	5.1
231.13736	2.2
232.08836	1.6
232.12392	2.0
233.09612	6.2
233.13235	5.4
233.15300	1.5
234.10292	4.0
234.14000	1.8
235.11131	10.0
235.14752	6.8
236.11896	3.4
237.12711	10.2
237.16348	2.4
239.14238	3.4
243.11615	1.5
245.09625	2.0
245.13190	4.6
246.10352	1.7
246.13957	2.0
247.11183	6.4
247.14726	2.8
247.16940	1.2
248.11940	4.0
248.15486	2.2
249.12726	17.8
249.15425	1.3
249.16460	2.0
250.13562	2.7
251.14276	9.6
253.12338	1.2
253.15689	1.6
257.13254	1.7
259.14560	1.8
261.12723	6.0
261.16354	3.1
262.13516	3.1
263.14288	20.4
263.17508	1.3
263.18036	1.2
265.15747	5.7
267.14020	1.3
267.17273	1.7
273.12659	1.7
273.16269	2.3
275.14255	4.5
275.17969	1.1
276.15186	1.2
277.15842	6.4
277.19202	2.4
279.17203	1.4
285.16376	2.3
287.14758	1.4
287.17889	4.2
289.15848	5.3
289.19263	2.3
290.16513	1.7
291.17242	3.6
303.17514	5.5
303.20615	1.7
304.18024	1.9
305.18942	21.7
307.20407	1.4
317.18890	3.2
321.18567	2.0
329.19086	2.1
331.20630	5.0
333.22217	2.0
345.22159	3.2
346.22583	2.3
349.21631	2.3
357.22208	1.4
359.02939	2.5
371.23654	1.7
399.27029	5.4
403.22235	2.7
403.26834	1.8
409.25116	4.1
417.27869	3.7
427.26276	21.8
427.31873	1.1
445.27301	100.0
445.40512	3.6
446.27823	7.5
463.28394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01864	2.2
55.05505	8.1
57.03417	1.1
57.07080	1.0
59.04988	0.9
60.32455	0.7
65.03931	2.2
67.05159	1.3
67.05496	15.9
69.03421	2.3
69.07069	6.5
71.04958	0.6
77.03920	0.8
79.05486	10.1
81.07051	15.8
82.01295	0.6
83.04969	10.5
83.08609	1.6
91.05457	14.4
93.07036	20.9
95.04955	7.1
95.08598	28.7
97.06509	3.8
103.05460	1.9
105.07021	23.1
105.67359	0.8
107.04919	1.0
107.08588	17.1
109.06503	4.0
109.10143	8.8
111.04427	6.5
111.08067	5.5
113.05949	1.1
115.05439	3.1
117.06997	7.1
119.08573	19.5
121.06481	5.1
121.10131	9.2
123.08056	7.5
123.11697	1.7
125.05984	1.4
125.09599	1.0
127.07539	1.1
128.06192	4.2
129.06990	9.9
130.07782	2.1
131.08559	14.1
132.09340	1.2
133.06467	4.0
133.10121	17.1
135.08046	5.4
135.11664	6.0
137.05956	1.8
137.09596	1.4
139.07544	2.9
141.06956	6.5
141.09059	1.6
142.07774	8.3
143.04900	1.4
143.08546	17.0
144.09323	2.0
145.06497	4.6
145.10114	15.1
145.11235	0.8
147.08012	6.3
147.11667	6.6
149.09608	3.0
149.13268	1.6
152.06210	1.9
153.06984	6.5
154.07797	4.3
155.08539	16.0
156.09312	7.9
157.06500	6.8
157.10110	23.3
158.07233	1.1
158.10864	1.3
159.08043	7.1
159.11678	15.6
160.08768	1.0
161.09558	6.9
161.13246	3.2
163.11143	3.1
165.06978	9.1
165.09129	0.8
166.07750	2.6
167.07173	1.4
167.08504	8.2
168.05780	1.0
168.09311	4.2
169.06462	2.9
169.10110	15.3
170.07198	2.0
170.10823	4.2
171.08038	8.3
171.11668	16.1
172.08810	2.5
173.09605	6.0
173.13228	7.9
175.11143	6.1
175.14786	2.2
177.12744	1.3
178.07790	3.7
179.08513	11.4
180.09355	5.7
181.06512	5.0
181.10091	10.8
182.07257	3.4
182.10857	4.4
183.08040	13.4
183.11647	14.6
184.08746	3.2
184.12436	1.7
185.09599	11.5
185.13191	9.5
186.10292	1.3
187.11197	6.3
187.14844	1.7
189.12706	4.6
191.08546	4.1
192.09311	6.3
193.10103	12.4
194.07104	1.2
194.10861	3.6
195.08058	7.4
195.09666	0.9
195.10013	1.2
195.11690	14.0
196.08737	2.7
196.12436	2.1
197.09592	11.5
197.13235	14.2
198.10344	2.1
199.11166	14.5
199.14786	4.3
201.12718	5.3
201.16344	1.0
202.07637	1.0
203.08551	2.2
203.10571	1.6
204.09286	2.1
205.06506	0.9
205.10124	7.2
206.07365	1.0
206.10851	6.6
207.08052	6.0
207.11684	14.7
208.08812	2.4
208.12454	3.3
209.09598	7.8
209.13217	10.1
210.10425	2.4
211.11145	14.2
211.14760	4.2
212.11778	1.4
213.12746	13.7
214.13176	0.9
215.08586	2.8
215.14301	3.9
216.09346	2.2
217.10208	4.7
217.12070	1.4
218.07149	0.8
218.10901	4.0
219.08055	2.7
219.11694	8.0
219.13680	1.9
220.08832	1.5
220.12395	6.3
221.09659	10.0
221.13216	15.2
221.15358	1.6
222.10347	2.6
222.13892	3.1
223.11203	10.2
223.14738	9.1
224.11858	1.8
225.12732	14.9
225.16318	1.7
227.14316	8.6
229.10202	3.1
229.12300	0.9
230.10867	3.3
231.08022	0.9
231.11647	6.7
231.13794	2.3
232.08794	1.5
232.12460	3.0
233.09639	6.4
233.13164	6.5
233.15250	1.3
234.10365	3.9
234.14009	2.8
235.11179	8.5
235.14764	10.6
236.11920	2.6
236.15421	1.8
237.12735	9.4
237.16296	5.0
238.13281	1.0
239.14281	7.4
241.09999	1.1
242.10904	1.2
243.11655	3.4
244.12419	2.4
245.09589	2.2
245.13170	6.5
245.15329	1.2
246.10420	2.5
246.13962	3.8
247.11137	9.3
247.14804	8.5
247.17017	0.9
248.11964	3.7
248.15381	1.8
249.12723	12.7
249.16351	5.6
250.13362	2.2
250.16951	0.8
251.14276	9.2
251.17899	2.0
252.14755	1.1
253.15927	3.0
255.11653	1.9
255.17348	1.1
256.12296	1.0
257.13156	3.6
258.14011	1.3
259.11172	3.2
259.14780	3.0
260.12018	1.3
260.15607	1.3
261.12802	7.2
261.16373	6.0
262.13516	4.0
262.17108	2.9
263.14304	22.5
263.17880	5.8
264.14816	1.6
265.15860	8.7
265.18607	1.1
266.16507	0.8
267.14359	0.7
267.17404	2.3
269.13147	1.3
270.14188	0.9
271.11014	0.8
271.14767	2.2
272.12061	1.1
272.15533	2.1
273.12799	1.9
273.16351	2.9
273.18805	1.5
274.13605	1.3
274.17090	0.9
275.14255	6.9
275.17892	3.2
276.15015	2.2
277.15891	8.9
277.19485	11.4
278.16696	0.8
278.20020	1.5
279.17563	3.8
279.20361	1.1
283.14838	1.0
284.15338	0.9
285.16302	2.5
286.17114	0.9
287.14267	2.9
287.17929	5.5
288.15100	1.9
288.18414	1.2
289.15851	8.0
289.19443	3.1
290.16452	3.4
291.17389	6.5
293.15649	1.0
293.18896	1.4
295.17032	0.9
298.17130	1.0
299.17740	1.3
300.15237	0.9
301.15729	2.4
301.19324	1.2
302.16699	1.2
303.17407	7.8
303.21082	3.0
304.18130	3.2
304.21597	1.0
305.18973	37.1
305.22101	1.3
306.19449	3.5
307.17169	1.1
307.20413	3.6
308.31387	0.8
313.15854	0.9
313.19556	2.6
314.20242	0.8
315.17508	1.9
315.20807	1.0
317.18887	3.5
317.22394	1.4
318.19595	0.9
319.20435	0.9
327.17453	1.3
328.21613	1.3
329.18988	2.3
330.19360	0.8
331.20538	9.4
333.22110	1.7
335.23727	1.0
343.20593	1.5
345.22116	2.8
346.22855	4.3
347.19977	0.9
353.22580	0.9
357.22186	1.8
367.20203	1.6
371.23676	2.1
381.25964	1.0
385.21320	4.5
399.23093	0.8
399.26926	8.8
403.22409	3.1
403.27249	3.5
408.67996	0.8
409.25275	5.2
417.27863	27.7
418.28152	2.4
427.20761	1.5
427.26315	25.2
428.26538	2.0
430.25128	0.9
445.27322	100.0
446.27676	6.1
463.28201	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	445.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	1.1
55.01860	0.8
55.05511	5.7
57.03419	0.6
57.07038	0.7
62.92744	0.5
65.03922	1.5
67.05493	12.2
69.03417	1.6
69.07060	3.0
69.84922	1.6
69.85339	2.0
70.43604	0.6
71.04988	0.8
77.03937	0.7
79.05469	7.7
81.07047	10.4
83.04458	0.8
83.04966	13.2
83.08588	1.1
91.05454	10.3
93.07028	18.6
95.04957	5.1
95.08592	42.9
97.06506	1.7
98.20747	0.8
99.04443	1.6
105.04507	0.8
105.07014	13.4
107.04900	0.8
107.08575	15.1
109.06498	2.7
109.10156	7.4
111.04426	7.3
111.08061	6.2
113.05984	1.0
115.05406	2.8
117.06991	4.6
119.07753	1.3
119.08568	15.2
121.06514	3.8
121.10126	10.9
123.08050	3.7
123.11687	3.4
124.65303	0.6
125.09621	1.1
128.06183	4.3
129.06992	6.2
130.07741	1.6
131.08553	9.2
132.09268	0.9
133.06464	2.7
133.10107	15.3
134.10883	1.2
135.08038	2.2
135.11685	7.3
137.05969	0.7
137.09592	1.1
139.07507	2.8
141.06966	7.6
142.07764	11.1
143.08531	13.4
144.09290	1.5
145.06442	1.7
145.10097	9.7
147.08028	3.0
147.11653	4.0
149.09636	0.9
149.13229	1.1
150.41957	0.6
152.06281	0.7
153.06961	7.5
154.07741	4.2
155.08533	18.8
156.09325	8.7
157.06480	1.5
157.10101	20.7
158.07262	0.9
158.10904	1.2
159.08055	4.0
159.11676	12.2
161.09592	4.6
161.13213	1.4
163.11197	0.9
165.06995	3.5
166.07733	1.8
167.08551	6.7
168.09317	11.8
169.06441	7.6
169.10088	17.0
170.07224	5.4
170.10887	6.3
171.08034	4.1
171.11673	13.6
172.08757	2.2
172.12312	1.0
173.09613	5.3
173.13235	3.5
175.11154	1.8
178.07657	1.3
179.08554	4.2
180.09305	3.9
181.06589	3.0
181.10083	8.2
182.07246	2.5
182.10895	4.6
183.08087	10.6
183.11665	55.8
184.08842	4.5
184.12289	2.2
185.09613	10.3
185.13217	15.1
185.14816	1.1
186.06776	3.0
186.10329	2.3
187.11107	4.6
187.14795	5.8
189.12691	1.1
189.16341	0.7
191.08571	1.2
191.14304	0.8
192.09232	3.3
193.10098	5.7
194.07248	0.8
194.10855	2.6
195.08020	2.8
195.11685	9.6
196.08797	8.2
196.12366	1.8
197.09564	13.2
197.11304	1.2
197.13200	8.6
198.10307	4.1
199.11157	9.0
199.14796	2.3
200.11911	1.4
201.09097	9.7
201.12636	4.3
203.08636	0.8
203.14171	0.8
204.09299	1.0
205.10069	2.8
206.10852	2.1
207.08034	1.2
207.11716	6.0
208.08707	1.3
208.12373	1.2
209.09708	3.2
209.13232	5.7
210.10361	2.3
211.11147	42.8
211.14777	2.6
212.11790	3.1
213.12708	26.5
214.13052	1.2
215.10674	2.0
215.14294	9.5
217.10083	1.3
218.10913	1.6
219.11685	3.7
219.13644	0.9
220.12387	1.9
221.09697	3.4
221.13199	6.0
222.10367	1.8
222.13954	1.4
223.11180	6.1
223.14792	2.7
224.11855	1.4
225.12724	12.6
225.16269	1.4
227.10658	1.1
227.14253	4.7
229.12082	2.8
229.15846	1.3
231.11591	1.8
231.13809	2.4
232.12471	1.5
233.09647	1.3
233.13214	3.0
233.15381	2.2
234.10403	1.3
234.13838	1.4
235.11142	2.1
235.14807	4.3
235.16830	1.0
236.11938	0.9
236.15294	1.4
237.12706	4.7
237.16260	1.4
239.14325	0.9
241.12212	2.2
244.12543	1.0
245.13147	3.0
245.15425	0.9
246.13898	1.1
247.11098	1.5
247.14801	3.0
248.11766	1.0
248.15674	1.2
249.12738	3.4
249.16365	2.7
250.13367	1.7
251.14220	3.0
253.12175	0.7
253.15770	1.2
257.13214	2.2
259.14716	1.3
261.12662	1.5
261.16330	2.7
262.17154	1.2
263.14276	3.3
263.17902	2.2
264.14996	0.8
265.15894	1.8
267.17505	1.0
271.14767	1.1
273.16284	1.5
274.17007	0.7
275.14301	2.0
275.17871	2.0
276.18411	1.0
277.15839	2.9
277.19482	4.7
279.14069	1.1
279.17319	1.8
279.20917	1.0
285.16312	0.7
287.14572	0.7
287.17847	2.8
289.15814	1.8
289.19342	1.1
290.16626	1.0
291.17386	2.8
302.16669	0.7
303.17343	2.4
303.21106	1.7
305.18991	10.7
305.22388	1.2
306.19321	1.2
307.20679	0.7
312.18402	0.6
317.19009	1.3
318.23358	1.1
321.18350	1.9
323.16406	1.3
329.19000	0.8
331.20480	3.1
335.23474	0.8
343.20618	0.9
345.22058	1.7
346.22638	1.2
349.21573	1.9
363.19525	1.0
399.26706	3.4
409.25168	1.9
417.27826	47.0
418.28159	3.8
427.26279	11.9
428.26767	1.3
430.24820	1.0
445.27307	100.0
446.27707	7.3
449.62714	0.6
463.28336	33.8
464.28717	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	445.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
54.17800	0.7
55.05502	6.0
57.03416	0.9
59.45818	0.7
64.39897	0.6
65.03930	1.2
67.04260	0.8
67.05492	10.6
69.03412	1.4
69.07050	3.2
70.78836	2.3
71.04988	1.3
76.28550	0.8
79.05485	7.3
81.03413	1.3
81.07038	10.0
83.04967	18.8
83.08616	1.0
91.05454	10.2
93.07022	22.0
94.37810	0.7
95.04964	4.7
95.08594	47.2
97.02876	1.0
97.06516	1.8
97.10137	0.8
99.04432	1.7
103.70845	0.7
105.07018	11.9
107.08578	14.6
109.06517	2.3
109.10153	4.2
111.04427	10.6
111.08071	8.1
113.06020	0.8
117.07017	2.8
119.08566	11.3
121.06498	3.6
121.10109	8.1
123.08028	1.8
123.11704	3.8
125.06019	1.0
128.06200	4.4
129.06976	5.1
131.08562	7.8
132.09238	0.8
133.06483	3.1
133.10112	13.8
134.10847	2.9
135.08008	1.1
135.11644	6.4
137.05969	1.6
139.07518	5.0
141.06990	6.1
142.07742	7.2
143.08543	11.1
144.09323	2.2
145.10081	9.6
147.08058	1.6
147.11661	3.3
149.09610	1.0
153.06976	8.3
154.07729	3.4
155.08513	10.7
156.09369	5.7
157.10114	10.7
159.08113	1.9
159.11681	9.8
161.09583	1.0
161.13148	1.0
163.11205	0.9
165.07011	2.8
166.07767	1.8
167.07031	10.3
167.08568	6.7
168.09323	13.7
169.10107	16.0
170.07230	2.2
170.10896	7.7
171.08083	1.6
171.11649	10.4
172.08806	1.8
173.09589	3.0
173.13306	2.1
175.11031	0.8
179.08539	2.3
180.09264	2.2
181.06473	1.5
181.10110	6.6
182.10851	3.9
183.08214	5.7
183.11668	100.0
184.08742	1.1
184.12103	4.2
185.09648	6.2
185.13246	13.2
186.10381	3.4
187.11078	4.7
187.14787	6.4
193.10100	2.7
195.11682	9.2
196.08813	8.7
196.12428	1.3
197.09589	8.3
197.13272	6.1
198.10327	2.5
199.11192	3.7
199.14822	2.1
200.11876	1.4
201.09216	0.9
206.10953	1.9
207.11699	3.7
208.12508	0.9
209.09659	0.8
209.13229	3.5
210.10400	1.0
211.11151	31.7
211.14578	1.5
212.11769	3.3
213.12714	9.6
215.14310	2.4
219.11754	2.0
220.12462	1.9
221.13226	5.6
223.14767	2.5
225.12726	2.9
225.16446	1.1
227.14241	0.9
230.10687	0.8
231.13748	1.4
233.13225	1.8
233.15370	2.4
234.14069	0.8
234.40282	0.8
235.14847	3.1
237.16403	1.7
245.13112	1.0
246.13939	1.0
247.14761	1.9
249.16426	2.2
251.14149	0.9
261.16232	1.8
262.17105	1.3
263.14410	1.0
263.17981	1.7
277.19485	4.5
303.21069	1.5
305.18945	3.9
331.20670	1.3
359.02637	0.8
399.26578	1.0
417.27832	96.9
418.28232	8.0
427.26297	2.4
445.27316	46.5
445.63211	0.8
446.27704	3.6
459.06110	0.9
463.28302	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01866	3.9
55.05510	16.9
57.03426	3.2
57.07073	3.1
65.03931	2.6
67.05499	51.1
69.03431	4.8
69.07060	17.0
69.40115	16.0
71.04987	5.7
73.04739	3.1
79.05486	41.8
81.03398	3.9
81.07050	51.6
83.04970	10.6
83.08617	7.4
85.02898	2.3
85.06566	2.0
91.05446	53.4
93.07030	42.7
95.04967	8.1
95.08601	42.7
95.09219	2.1
97.02911	2.9
97.06534	5.9
97.10172	5.0
99.04431	2.3
103.05470	2.4
105.07020	60.4
107.04967	6.2
107.08585	22.0
109.06518	6.9
109.10130	13.2
109.79765	2.0
111.04439	3.8
111.08071	4.8
115.05463	3.7
117.06998	26.3
119.08564	36.9
121.06525	6.4
121.10140	17.7
123.08073	7.4
128.06215	7.6
129.06984	20.2
130.07793	4.3
131.08548	43.2
133.06490	4.2
133.10133	22.7
135.08066	6.6
135.11710	8.2
137.09599	3.5
141.06963	11.1
142.07826	4.1
143.08563	20.1
145.06548	3.6
145.10101	31.6
146.53951	2.4
147.08096	5.5
147.11676	8.7
149.09673	2.6
153.07037	4.4
154.07780	3.0
155.08549	15.9
156.09340	4.3
157.10106	22.0
157.11044	1.8
159.08139	3.6
159.11696	15.4
161.09631	5.2
161.13243	4.4
163.11179	3.0
165.06992	4.1
167.05667	4.6
167.07092	7.0
167.08600	6.2
168.09332	4.0
169.10146	12.6
170.10901	2.6
171.08102	4.7
171.11696	11.6
172.08913	2.1
173.09648	3.9
173.13303	4.5
175.11191	3.3
179.08586	4.0
180.09369	3.4
181.10159	8.7
182.10851	2.8
183.08075	5.8
183.11679	22.1
185.09671	6.1
185.13277	8.0
186.10333	2.1
187.11188	6.5
187.14830	4.6
189.12785	3.8
193.10150	4.2
195.11737	7.7
197.09621	5.2
197.13303	8.6
199.11215	5.7
199.14882	5.2
201.12729	4.2
205.10278	2.3
206.11003	2.4
207.11717	4.4
209.13338	3.3
211.11246	9.1
211.14853	5.7
213.12711	10.1
215.14270	2.9
221.13319	4.6
221.15367	2.7
223.14868	6.3
225.12770	4.6
225.16388	4.2
227.14537	4.1
231.13747	2.9
233.15469	3.5
235.11302	3.9
235.14848	3.9
237.12820	2.1
241.16109	2.6
247.11278	3.6
247.16995	5.4
249.12923	4.1
251.14297	4.2
253.15907	2.5
255.17537	3.3
256.66428	2.1
263.14169	4.3
273.18509	3.5
275.20288	2.1
277.19635	2.1
286.84821	2.4
291.17465	2.4
303.17642	3.4
305.19006	6.7
307.20734	2.1
325.25397	3.8
335.23792	5.8
343.26306	5.6
353.24707	16.5
359.03015	5.4
371.25769	19.3
389.26706	20.3
407.14117	2.1
417.28030	16.8
427.26285	9.8
445.29260	100.0
446.29868	4.0
463.28506	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	445.3307
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
55.05505	4.9
57.07064	2.6
65.37450	1.2
67.05482	6.6
69.07064	8.7
71.04986	5.9
71.08621	1.4
79.05477	1.8
81.07050	18.6
83.04974	1.9
83.08596	3.8
91.05470	3.5
93.07028	8.1
95.08602	17.0
97.06569	1.7
97.10162	3.9
98.20741	3.7
99.08067	2.6
105.07023	2.9
107.08567	2.9
109.06480	3.1
109.10132	12.8
119.08549	3.2
121.06517	2.2
123.08042	2.9
123.11658	8.7
127.11137	2.4
133.10100	2.5
135.08083	2.4
135.11649	1.9
137.05965	9.0
137.13248	5.7
138.06763	3.8
139.07539	4.0
141.12685	1.8
147.07997	1.6
149.06050	2.6
151.07529	26.2
161.05914	2.7
161.09625	2.2
163.14833	1.6
165.05421	13.2
165.09103	6.8
166.06194	5.6
166.39825	1.2
167.07019	100.0
167.50888	1.3
168.07372	1.5
175.07513	3.6
175.11244	1.6
177.09090	3.8
179.06964	2.7
179.10651	2.8
181.08607	2.0
185.09653	1.4
188.08337	1.3
189.09084	21.2
190.09593	1.4
191.10600	2.5
192.07721	1.8
193.08585	4.4
195.10266	1.6
201.08984	1.7
201.12784	1.8
202.09911	1.5
203.10646	12.2
205.12183	3.1
207.10170	8.1
215.10693	1.4
217.12206	6.2
221.11772	3.1
235.13213	2.0
281.28174	3.1
399.32632	1.4
409.30820	3.1
427.32016	30.2
428.32483	1.6
429.17059	1.4
445.33112	22.4
446.33472	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	445.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05502	12.7
57.07066	5.7
59.56143	1.3
67.05499	18.1
69.07064	14.9
69.20418	6.3
69.20842	9.3
71.08630	1.9
77.91979	1.4
79.05480	6.7
81.06570	2.8
81.07047	53.4
83.08626	8.0
85.06550	1.6
88.42935	1.4
91.05483	3.4
93.07030	10.5
95.08038	2.5
95.08600	32.1
97.06530	1.4
97.10166	5.1
100.26349	1.2
102.48039	1.6
105.07026	4.5
107.08609	4.1
109.06530	4.0
109.10148	19.1
111.08088	1.7
111.11732	2.0
119.08574	2.6
121.06489	3.1
121.10172	4.5
123.08035	3.1
123.11687	12.9
135.08031	2.2
135.11687	3.4
137.05948	14.5
137.09593	1.6
137.13261	3.6
139.07526	4.2
143.08591	2.1
147.08038	4.2
149.05986	4.1
149.13266	2.2
151.07532	38.8
159.08041	1.6
161.05986	3.7
161.09567	2.9
165.05443	11.5
165.06490	1.2
165.09108	11.0
167.07024	100.0
168.07396	1.5
175.07582	6.6
175.11101	2.0
177.09058	2.7
179.07069	2.8
179.10658	2.7
181.08632	3.4
183.11626	1.4
184.91217	1.6
185.09720	1.5
189.09091	11.6
191.07036	1.9
191.10684	1.9
193.08601	7.6
195.73355	1.4
203.10626	6.9
205.08556	2.9
205.12376	2.1
207.10162	9.9
217.12260	3.9
219.10201	3.5
221.11761	3.4
223.48668	1.4
231.13789	1.8
233.11801	1.8
247.65578	1.5
277.62180	1.5
277.65561	1.2
391.36127	2.2
399.32538	1.7
427.32074	10.4
445.33075	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01849	0.6
55.05503	9.9
56.63937	0.3
57.03400	1.0
57.07071	5.1
59.04979	0.5
63.27585	0.3
65.03907	0.8
67.01850	1.8
67.05497	15.7
69.03403	1.1
69.07058	13.7
69.39476	0.7
69.39881	1.8
71.04981	2.4
71.08623	1.4
77.03872	0.4
79.05474	4.6
81.03393	0.6
81.07043	34.0
82.07359	0.7
83.01315	0.4
83.04991	1.8
83.08611	6.7
85.02876	0.8
85.06531	11.4
85.10146	1.1
91.05448	3.7
91.25507	0.3
93.07031	11.1
95.04964	1.3
95.08594	27.5
96.08901	0.3
97.06501	0.4
97.10161	5.5
99.08050	1.0
100.02840	0.3
105.07014	3.2
107.08574	4.3
109.06503	3.4
109.10138	16.1
110.10479	0.3
110.21182	0.3
111.04418	0.3
111.08039	1.0
111.11684	2.5
113.09619	0.4
117.06970	1.0
119.04934	0.4
119.08559	2.9
121.06497	3.2
121.10138	2.2
123.04404	0.4
123.08060	3.2
123.11689	10.9
124.12020	0.3
125.05978	0.7
125.09559	0.5
125.13232	0.7
127.03901	0.5
127.11172	0.6
129.07057	0.3
131.08511	1.4
131.20976	0.3
133.06474	1.1
133.10126	1.6
135.08026	2.1
135.11668	2.2
137.05957	10.1
137.09564	0.3
137.13228	6.5
138.06654	0.4
139.03885	0.9
139.07524	4.9
141.05428	1.8
141.12666	0.3
142.07784	0.5
143.08559	0.9
144.09361	0.4
145.06517	0.3
145.10103	1.0
147.08051	1.9
147.11632	0.9
149.05966	5.4
149.09575	0.8
149.13222	2.1
151.07520	23.5
151.14790	1.9
152.07793	0.3
153.05437	0.8
155.06966	0.4
155.08424	0.3
157.10097	1.2
159.08008	1.7
159.11653	0.9
160.08804	0.4
161.05977	2.9
161.09659	1.4
161.13190	0.7
163.07532	1.4
163.11142	0.4
163.14796	1.1
165.05457	9.3
165.06873	0.6
165.09084	6.1
165.16393	0.3
167.07010	100.0
168.07373	2.0
169.10107	0.3
171.08014	0.4
171.11694	0.4
172.08763	0.4
173.09579	1.1
173.13245	0.4
174.06801	0.4
175.07509	3.6
175.11154	1.2
177.05383	0.6
177.09090	3.3
177.12642	0.4
177.16367	0.8
178.06265	0.7
179.07031	2.7
179.10608	2.5
179.17952	0.5
181.08548	3.2
185.09645	1.0
187.07434	0.5
187.11133	0.8
188.08322	1.1
189.09073	11.7
189.12729	1.2
191.06964	2.7
191.10609	2.6
191.17825	0.4
192.07756	0.8
193.08572	5.3
193.19527	0.5
195.10197	0.9
199.11121	0.5
201.09077	0.7
201.12822	0.3
202.09932	0.5
203.10628	5.2
204.11026	0.3
205.08578	4.5
205.12216	2.2
205.19563	0.7
207.10135	8.0
207.13852	0.5
213.12686	0.4
215.10712	1.9
215.14418	0.3
217.12196	3.6
219.10207	2.0
219.13840	0.4
221.11705	3.5
229.12082	0.6
231.13768	1.5
233.11752	1.9
235.13264	1.2
245.11710	0.3
245.15231	0.5
247.13336	1.2
249.14961	0.5
257.15170	0.5
259.17041	0.4
261.14774	0.3
263.16464	0.4
277.17993	0.7
279.26730	0.8
285.18387	0.6
289.18048	0.4
291.19458	1.1
291.26712	0.4
292.59390	0.3
303.19574	0.4
331.22662	0.3
345.24069	0.6
357.24057	0.4
371.26056	0.3
381.31558	0.3
399.32697	1.0
409.30997	1.2
417.33685	0.6
427.32004	9.6
428.32541	0.9
445.33160	11.2
446.33551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3306
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
53.03936	1.1
55.05504	7.9
57.07071	3.8
61.86404	0.4
65.03912	0.5
67.01842	1.0
67.05495	10.2
69.03429	0.6
69.07060	16.1
69.44456	3.7
71.08610	0.9
76.00740	0.4
79.05483	3.4
81.03449	0.5
81.07048	32.2
83.04958	1.1
83.08610	6.9
85.02905	0.6
91.05462	1.4
93.07035	8.3
95.04965	1.1
95.08598	26.7
96.08960	0.5
97.10153	4.7
99.08113	0.8
105.07018	1.7
107.08581	3.1
109.06505	2.0
109.10146	14.7
111.04385	0.6
111.11693	2.7
117.07008	0.7
119.08578	1.9
121.06521	2.7
121.10114	2.1
123.08076	1.2
123.11684	9.9
125.13251	1.2
131.08548	0.4
133.06374	0.7
133.10144	1.3
135.08040	1.6
135.11673	1.9
137.05966	5.7
137.13240	7.8
138.06755	0.4
139.03882	0.8
139.07530	4.0
141.05473	3.8
143.08600	0.5
145.10144	0.7
147.08055	1.4
147.11636	0.9
149.05966	4.8
149.09566	0.8
149.13237	2.3
151.06398	0.9
151.07521	10.2
151.14767	2.3
153.05412	0.8
157.10071	0.6
159.08018	0.7
159.11649	1.3
161.05966	1.9
161.09601	0.8
163.07510	1.0
163.14799	1.3
165.05473	4.9
165.09137	3.3
165.16370	1.0
167.07022	100.0
168.07391	1.9
171.08246	0.5
173.09502	0.7
175.07538	2.0
175.11147	0.9
177.05389	0.7
177.09079	1.4
177.16376	0.7
178.06230	0.6
179.07007	1.9
179.10677	1.6
179.17943	0.6
181.08607	3.0
187.07521	0.4
187.11177	1.0
189.09067	2.2
191.07022	2.6
191.10622	1.2
191.17917	0.8
192.07805	0.5
193.08604	3.4
197.09554	0.8
201.09129	1.3
203.10609	2.1
205.08537	3.3
205.12189	2.1
205.19487	1.0
207.10121	6.6
209.11707	0.5
215.10677	2.0
219.10089	2.3
221.11691	2.8
229.12131	0.7
233.11731	3.1
235.13324	0.6
247.13298	1.5
277.17917	0.9
289.17996	0.9
291.19525	1.1
303.19357	1.0
317.21036	0.6
331.22546	1.2
345.24222	1.2
347.25815	0.8
359.25745	1.0
371.25772	1.7
409.31018	0.8
427.26035	0.6
427.31931	11.3
445.27103	0.6
445.33154	10.1
445.39124	0.4
446.33704	0.8
469.87012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.6
57.07065	2.7
67.05471	1.3
69.07059	9.6
71.08614	1.2
71.28342	0.8
71.28680	1.1
79.05486	0.7
79.46112	0.5
81.07057	3.5
83.08617	5.6
91.05452	0.8
93.07016	1.1
95.08591	2.5
96.51219	0.5
97.10155	3.1
107.08568	1.4
109.10117	2.0
110.05228	0.5
111.11687	1.2
116.80392	0.5
119.08533	0.8
121.10118	0.9
123.11625	0.9
125.13172	0.6
135.08038	1.3
137.09622	2.7
139.07509	0.9
146.09238	0.5
149.09587	4.9
163.11111	2.3
164.08311	0.7
165.09106	34.3
166.09341	0.6
175.11145	1.2
177.09065	2.5
181.08646	0.6
187.11101	0.7
189.08948	0.8
189.12677	0.7
190.09871	0.7
191.10580	2.7
199.11136	0.8
203.10600	2.4
203.14197	0.6
205.12248	5.0
210.80206	0.7
216.11357	0.8
219.09111	0.8
219.13821	1.2
231.13667	0.7
289.21866	0.6
345.27826	0.8
346.13113	0.8
348.15024	0.7
358.12692	0.6
359.13174	0.8
360.14905	1.1
361.15628	1.0
370.13028	0.9
371.13129	1.8
372.13821	2.7
373.14395	2.8
374.15332	1.0
385.14447	2.4
386.15198	3.0
387.16037	9.7
388.16534	3.2
389.17331	2.3
399.16144	0.8
400.12585	1.2
400.17001	1.4
401.13489	2.3
401.18155	7.0
402.18384	4.7
403.19296	4.2
403.24002	0.7
409.35037	0.7
413.13818	0.7
414.14426	3.4
415.15213	12.2
416.15271	5.3
416.20029	2.1
417.16495	2.9
417.20612	4.3
418.21240	1.6
427.35663	4.3
428.16031	1.2
428.36206	1.6
429.16846	9.7
430.17511	15.9
430.22488	1.0
431.18045	5.9
444.18881	1.8
445.19934	100.0
446.20563	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.8
57.03426	0.9
57.07060	2.4
59.04981	1.0
59.42467	0.6
61.30619	0.6
67.01836	1.0
67.05499	7.4
69.07054	5.8
70.74841	2.2
71.04974	2.3
71.08608	1.2
79.05480	2.2
79.95492	0.7
81.07051	9.5
83.04958	1.3
83.08612	3.0
91.05467	1.9
93.07034	3.1
95.04939	0.9
95.08598	10.4
97.10139	1.6
99.08031	0.9
105.06963	1.6
107.08567	2.1
109.06519	1.5
109.10142	10.0
111.11744	0.7
117.07006	1.0
119.08579	3.4
121.06519	1.6
121.10131	0.9
122.07265	1.7
123.08057	1.3
123.11713	4.4
133.10066	1.0
135.08022	1.2
137.05980	4.6
137.09583	12.7
137.13210	2.1
139.03842	0.8
139.07503	1.4
147.07973	1.3
149.05971	2.1
149.09596	0.9
151.07521	10.8
151.14726	0.8
159.07953	0.9
161.05939	1.8
161.09656	1.1
163.51776	0.7
165.05496	5.4
165.09094	100.0
166.09442	2.6
167.07019	39.5
168.07327	1.6
175.07529	3.4
175.11157	0.8
177.09067	2.0
179.06973	0.8
179.10648	0.9
181.08565	0.8
189.09106	8.0
191.10641	1.7
193.08543	2.0
199.11185	0.8
201.60027	0.6
203.10738	5.0
204.10945	0.6
205.12250	1.9
207.10147	3.7
217.12267	3.1
231.13712	0.8
259.90176	0.7
291.26416	0.7
427.31879	9.6
428.32254	0.9
445.32434	7.3
446.33972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	18.8
57.07063	31.4
67.05502	18.8
69.07058	41.3
70.86893	25.8
71.08624	22.1
81.07040	55.7
83.08616	45.8
85.10182	21.4
93.07041	18.3
94.36620	9.2
95.08600	40.7
97.10168	24.1
107.08562	16.4
109.10152	31.5
111.08127	10.4
111.11687	38.3
114.44174	9.4
123.11688	12.1
125.13249	18.3
135.11716	18.5
139.07500	100.0
149.13248	24.3
151.07576	13.0
163.14737	22.3
165.05447	19.3
165.09117	31.4
176.17599	9.7
177.09065	10.9
193.08575	30.0
214.91548	8.8
221.11676	11.9
231.13750	12.7
244.66422	8.7
289.28891	41.0
307.29929	41.7
430.01462	10.3
445.36893	67.0
446.68643	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	446.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.5
56.05037	6.8
58.06589	8.4
60.04512	16.9
65.03934	28.8
67.05490	28.6
69.03411	11.4
71.52611	7.9
72.08141	5.8
73.04749	9.3
75.05589	8.9
76.07618	6.1
79.05487	8.2
81.03413	13.2
83.04976	60.2
84.04485	36.1
85.02897	18.1
89.08093	5.3
91.05865	28.5
93.03393	24.9
94.06557	13.7
95.04951	26.8
97.02861	8.1
97.03616	5.2
100.04030	8.5
106.06509	7.2
107.04957	8.9
107.07336	6.4
108.04424	6.7
108.08135	8.0
109.02885	15.7
110.06065	8.9
111.04446	82.5
118.06521	9.3
119.04909	11.4
120.04451	23.8
121.02854	22.9
122.06006	11.1
123.04430	25.7
124.07589	7.8
126.05509	8.1
127.03914	12.1
129.05469	27.6
133.02837	21.0
134.06036	29.2
135.04420	15.6
136.03961	7.8
136.07564	39.3
137.02342	16.1
137.05975	8.9
138.05469	16.8
138.06511	6.6
139.03894	39.7
146.06007	37.3
147.04411	14.8
148.03905	14.0
148.07585	7.7
149.02351	24.8
150.03156	18.2
150.05525	20.0
151.03877	9.8
152.03456	7.3
152.07056	18.3
153.01906	9.3
155.03383	7.4
157.04976	20.2
162.05510	42.8
163.03883	30.0
163.06201	18.9
164.03329	7.9
164.07051	100.0
165.01822	11.2
165.05438	11.1
166.04996	18.2
167.03392	11.4
167.05539	6.9
172.03932	5.9
174.05524	10.2
175.03963	10.3
175.06123	15.3
176.03407	8.8
176.07101	11.6
177.01785	12.7
178.02560	6.9
178.05013	14.8
179.03400	17.1
179.05748	9.3
180.06564	78.3
181.04976	8.1
182.08112	6.7
190.04938	28.4
191.03357	9.6
191.05737	13.4
192.06522	53.5
193.01260	7.3
193.04893	9.1
193.07018	6.5
194.04494	19.3
194.08125	11.4
195.02887	20.8
202.04942	12.0
203.05664	9.1
208.06015	36.0
210.07640	28.0
212.05522	9.4
218.04483	19.3
219.02893	10.3
219.05000	7.6
220.06042	25.4
236.05557	31.7
238.07088	10.8
254.06683	29.9
272.07532	11.4
274.75769	6.3
360.02863	17.8
394.11441	9.9
410.10715	8.5
412.12192	11.1
413.13251	9.6
428.11581	34.0
446.12741	57.6
446.17834	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.05503	4.7
59.19033	1.9
67.05480	5.7
68.99754	2.3
69.03422	11.7
69.07050	7.7
71.54237	3.5
72.08141	1.9
73.02888	9.9
79.05470	5.1
81.03390	2.8
81.07038	4.6
83.04952	7.1
85.02891	12.3
91.05408	13.6
93.07040	8.6
95.04959	9.3
95.08568	4.1
97.02866	6.1
97.06534	4.8
98.97526	2.1
105.07004	7.6
107.04928	2.5
107.08579	32.2
109.02876	18.5
109.06470	3.6
109.10121	7.3
111.04398	3.5
113.05978	2.8
115.05403	3.4
116.06227	2.7
117.06985	11.0
119.08557	24.6
121.06460	3.9
121.10133	6.8
123.08072	2.4
129.07005	2.8
131.08574	3.6
133.10104	6.1
135.08035	27.6
135.09009	3.3
137.02296	3.3
137.05968	4.3
137.09654	9.3
145.10078	2.2
147.08015	55.7
147.11644	1.9
149.09610	13.7
151.07471	4.0
153.01791	5.0
161.05995	3.6
161.09583	5.1
161.13240	5.7
165.09108	7.4
167.05562	1.9
171.11725	2.9
175.07521	18.7
175.14813	2.6
180.08722	1.7
185.13188	5.9
189.08983	3.3
189.12688	6.9
203.14326	10.0
213.12743	4.8
229.05020	3.0
231.13763	49.0
249.14815	100.0
257.04401	2.1
285.03891	2.5
287.05322	3.9
303.04916	71.0
343.04413	6.2
440.81131	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.7
57.07027	0.4
62.47758	0.3
67.05502	2.9
69.07070	1.9
69.95808	2.0
81.07040	1.3
83.04973	0.4
83.08584	0.8
88.19308	0.3
91.05445	0.7
93.07023	1.4
95.08580	1.3
108.09360	0.4
109.10145	4.1
119.08551	2.4
121.05647	0.7
121.06493	9.6
121.10133	0.4
122.07285	2.1
123.08119	0.5
135.08028	1.1
136.08826	12.6
137.09604	12.3
138.09914	0.4
147.07898	0.4
149.05984	0.6
149.09616	1.4
151.07567	0.5
151.79189	0.3
152.08284	1.1
159.11736	0.6
163.07552	0.4
163.11237	0.5
164.08321	33.2
165.09096	100.0
166.09422	5.5
172.08743	0.4
176.08226	0.4
177.09114	1.4
177.12823	0.5
178.09787	0.5
182.58128	0.4
184.30104	0.4
187.11200	0.4
189.09073	1.2
190.09819	0.9
191.10648	1.2
203.10706	0.8
205.12225	6.9
206.12366	0.4
330.19119	0.3
388.16992	0.5
389.17615	1.0
401.17242	0.4
402.18088	0.5
403.19131	0.7
416.15717	0.6
419.22342	1.0
428.36462	47.8
429.36725	2.4
430.17871	0.5
431.18451	1.5
446.20563	9.8
446.37552	20.3
447.21515	4.4
447.37943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58821	0.7
69.07061	1.1
71.56706	0.8
74.80158	0.8
110.70195	0.8
121.06455	2.1
136.08791	2.2
137.09563	2.8
163.76727	0.7
164.08304	5.8
165.09082	19.3
166.09480	2.6
191.58620	0.8
201.12842	1.0
205.12251	1.1
274.07129	0.8
372.13855	1.1
373.14017	2.6
374.14972	2.0
375.15814	1.2
386.15201	1.0
387.15823	4.9
388.16577	4.7
389.17542	6.0
390.18304	1.0
401.17764	1.5
402.17844	3.0
403.19318	6.6
404.19638	2.5
415.15323	1.9
416.15784	5.0
417.16458	6.4
417.21588	1.2
418.21252	3.1
419.22391	8.1
428.36423	27.3
430.17184	3.2
431.18079	10.1
432.18695	2.7
445.19650	2.0
446.20584	100.0
447.21545	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	447.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46031	0.9
53.00291	2.9
53.03928	4.1
55.01858	2.9
55.05505	11.7
55.83415	1.1
57.03429	1.4
65.03935	20.7
67.05496	38.8
68.99771	2.7
69.03421	20.5
69.60476	4.5
69.60893	2.7
71.01323	2.0
71.26041	0.9
73.02900	1.0
73.04752	1.9
76.04032	1.0
81.03395	1.5
83.04971	80.6
84.04489	1.1
85.02892	17.9
87.00800	1.6
87.04449	1.1
89.03923	1.0
91.05814	7.3
93.03390	24.2
94.99667	0.9
95.04958	37.6
97.02870	3.3
99.00807	12.6
101.05999	3.1
102.05547	1.3
105.04510	1.6
106.06544	2.5
107.04950	1.4
109.02850	0.9
111.04429	100.0
112.04785	2.1
115.03899	2.3
117.01863	2.6
117.03291	1.0
118.06542	1.3
120.04460	1.2
121.02868	11.0
127.03860	1.1
129.04477	1.9
129.05461	41.0
132.04436	2.1
134.05962	1.9
135.04367	2.9
137.02321	1.3
139.03880	37.8
145.02766	1.4
147.04408	1.4
147.06529	2.4
149.02322	2.9
157.04953	31.1
163.03873	7.3
164.04184	1.0
164.07059	1.1
167.05504	2.7
175.05989	6.8
179.03381	1.0
183.81339	1.0
209.04439	4.2
213.05447	3.9
225.04237	1.1
226.98563	1.2
227.05508	9.2
245.06734	1.3
250.82895	1.0
255.04747	1.0
259.11832	6.2
273.06009	22.1
273.08820	1.6
284.11395	1.0
291.07074	2.2
302.12442	3.4
361.02493	3.6
401.10715	4.4
429.10324	6.0
441.62668	1.2
447.11249	22.4
448.19305	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	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12156	0.8
53.03942	1.0
55.01627	1.1
55.01867	16.2
55.05505	38.6
57.03429	51.1
57.06828	0.9
57.07071	13.8
61.21196	0.9
65.45329	1.0
67.05498	11.2
69.03442	1.0
69.07059	37.3
71.08622	8.7
71.42760	2.0
73.02889	1.8
79.05488	8.0
81.07044	13.5
83.04976	1.2
83.08607	33.7
85.10155	3.1
91.05481	1.9
93.04153	0.9
93.07030	10.1
95.04976	1.0
95.08580	8.4
97.06515	3.1
97.10149	21.7
98.98453	73.2
101.21356	0.9
105.07037	1.4
107.08562	5.1
109.10123	3.9
111.08044	2.4
111.11712	5.8
112.92874	0.9
116.99481	2.7
118.27062	1.1
121.10114	8.9
123.11681	2.0
125.00005	1.0
125.09598	1.4
125.13213	1.7
128.86639	1.1
129.05461	1.7
129.09236	1.0
131.91833	1.2
135.11646	4.5
136.99971	75.3
149.13277	2.3
155.01016	63.2
167.07118	1.3
173.02037	1.0
178.02629	2.0
193.02586	13.1
211.03618	10.7
237.22086	18.4
265.04733	1.3
272.77255	1.1
293.24615	1.9
311.25754	57.6
312.26196	2.0
330.98331	1.0
363.88721	1.1
385.38657	1.8
447.25009	100.0
447.41849	5.0
448.25348	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.01867	6.1
55.05260	2.3
55.05503	25.2
57.03434	12.0
65.03938	3.0
67.05497	46.5
69.03403	4.5
69.07056	12.3
69.45145	4.7
69.45570	7.2
71.01344	2.7
71.04983	5.9
72.86758	1.4
76.20806	1.5
79.05485	48.1
81.03410	71.5
81.07046	32.4
83.04974	10.4
83.08618	18.2
85.06522	2.8
91.05462	34.9
93.07034	41.2
95.04956	36.9
95.08599	12.2
97.06518	8.7
97.10144	12.9
105.07024	22.3
107.04952	13.3
107.08582	23.7
109.06511	6.7
109.10135	6.7
111.04459	1.7
111.08052	10.3
115.05449	2.3
117.07005	11.9
119.04949	2.4
119.08584	17.2
121.06487	10.6
121.10122	7.6
123.08081	2.0
125.09613	9.1
128.06129	2.2
129.06982	16.9
131.04942	1.8
131.08537	15.3
133.06493	5.8
133.09239	1.7
133.10104	9.8
135.08066	4.6
135.11670	30.3
137.09624	3.5
141.07013	2.6
143.08536	7.3
145.06454	7.2
145.10104	12.3
147.08012	6.3
147.11652	5.8
149.09610	4.6
155.08519	3.1
157.10115	12.1
159.08025	4.0
159.11653	5.7
161.09666	2.2
163.11157	8.5
169.10088	1.9
171.11691	2.3
173.09575	2.9
175.11150	8.5
177.12668	1.6
181.12265	4.2
183.11667	2.7
185.09647	3.1
185.13255	5.5
187.11151	3.8
189.11205	4.9
189.12794	2.1
193.12212	30.1
193.13852	2.7
203.10657	1.8
203.14267	3.1
205.12227	2.8
219.13805	1.6
223.50281	1.8
227.12854	1.7
231.14011	2.3
249.14885	6.0
261.14786	1.8
267.15988	1.8
329.20993	12.8
337.21652	5.0
347.22134	3.6
355.22687	12.9
373.23853	9.1
403.24905	11.2
411.25726	2.0
429.26419	10.6
447.27371	100.0
448.27664	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	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60023	1.6
52.19827	1.4
52.98573	1.7
53.03928	7.3
55.01855	6.7
55.05261	2.2
55.05507	29.2
57.03432	10.2
65.03932	3.8
67.05502	65.2
67.05863	4.1
69.03416	3.4
69.07063	15.5
69.45824	7.0
69.46256	6.8
71.01334	4.6
71.04974	5.3
77.03940	2.1
79.05489	63.9
81.03411	78.1
81.07048	38.2
83.04969	13.0
83.08610	23.1
85.06538	2.8
87.53130	1.6
91.05474	52.5
93.07037	45.8
95.04960	43.8
95.08589	13.5
97.02879	3.7
97.06538	10.8
97.10162	16.0
99.08076	1.9
105.06361	2.7
105.07027	31.1
107.04970	14.2
107.08581	32.3
109.06508	10.2
109.10159	12.0
111.08048	7.1
115.05435	3.1
117.07009	17.5
118.32986	1.9
119.04914	3.9
119.08572	23.5
121.06481	15.2
121.10146	11.2
123.08071	6.3
125.09641	9.6
128.06230	4.3
129.07007	17.5
131.04939	3.3
131.08565	19.7
133.06511	5.1
133.10100	11.4
135.08044	4.8
135.11682	38.0
137.09621	3.7
141.06982	3.9
142.07764	3.4
143.08546	7.6
145.06473	10.2
145.10094	15.9
147.08060	9.3
147.11690	6.9
149.09601	6.6
155.08511	3.3
157.10118	13.4
159.08040	3.5
159.11652	4.4
161.09596	2.0
161.13261	1.8
163.11137	11.8
165.12735	3.5
167.07227	1.7
167.08549	2.2
169.10168	4.6
171.08017	2.2
171.11719	4.8
172.33333	1.7
173.09598	2.6
173.13243	2.1
175.11165	12.7
181.10107	1.7
181.12247	6.2
183.11649	3.9
185.09674	2.3
185.13246	8.0
187.11165	3.2
189.11186	6.5
189.12752	2.2
193.12224	27.5
201.12708	2.9
203.10664	1.8
203.14330	4.8
205.12221	2.2
211.13300	2.2
213.12785	2.2
219.13873	2.7
225.12750	4.2
227.12669	3.0
231.13879	2.5
243.13686	1.7
245.15317	2.2
249.14838	3.5
261.14966	2.2
267.15851	1.9
329.21136	9.0
337.21695	8.7
347.22455	1.9
355.22635	23.8
373.23798	12.0
391.24628	2.5
403.24802	10.0
429.26328	16.7
447.27405	100.0
448.27689	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	447.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01855	4.7
55.05500	7.4
67.05201	1.9
67.05502	18.4
69.07043	6.1
69.56455	14.5
71.04952	2.8
77.00298	2.0
79.05468	16.9
81.07047	18.5
83.04958	12.3
91.05471	16.9
93.07032	37.5
95.04951	6.2
95.08035	4.2
95.08597	45.0
95.09194	1.5
97.06496	5.5
105.07024	28.5
107.08571	33.5
109.06502	7.3
109.10136	9.9
111.04453	3.4
111.08083	8.9
113.05979	2.8
115.05428	2.9
117.07016	6.7
118.17834	2.0
119.08557	23.4
120.97275	2.0
121.06501	3.9
121.10120	15.6
123.08044	10.7
123.11697	3.6
128.06206	8.4
129.06981	10.2
130.07776	2.4
131.08545	19.1
133.10107	22.4
135.08022	7.9
135.11700	6.5
139.07501	6.7
141.06996	5.2
142.07741	9.0
143.08548	28.3
145.06433	5.2
145.10095	23.5
147.11685	11.2
149.09619	2.3
153.07008	5.2
154.07729	3.5
155.08496	11.6
156.09329	7.0
157.06447	7.5
157.10118	23.7
158.07283	4.2
158.10802	3.1
159.08043	13.7
159.11656	21.8
161.09619	9.9
161.13191	4.4
167.08562	7.9
168.09314	3.6
169.06467	2.5
169.10106	12.8
170.07341	5.5
170.10857	5.4
171.08035	56.5
171.11693	18.4
172.08775	4.7
173.09657	11.8
173.13297	11.6
175.11269	5.9
175.14792	2.6
179.08525	8.8
180.09273	3.1
181.06458	3.3
181.10080	7.9
182.10776	2.6
183.08046	18.7
183.11609	14.4
184.08823	4.4
185.09619	19.2
185.13223	18.5
186.10394	3.0
187.11148	17.3
187.14775	11.1
189.12749	3.6
192.09215	2.2
193.10112	3.9
194.10826	2.8
195.07985	4.8
195.11668	10.0
197.09567	9.1
197.13252	8.3
198.10382	9.6
199.11153	17.0
199.14810	7.2
200.11906	2.6
201.12770	17.6
204.09404	2.4
206.10933	3.1
207.11688	7.3
209.09578	6.5
209.13263	7.0
211.11168	9.7
211.14778	4.0
213.12708	100.0
213.16161	3.8
214.13179	4.7
215.14261	25.2
219.11671	4.8
219.13712	3.1
221.13249	5.3
223.11169	6.4
223.14809	8.0
225.12743	14.9
225.16345	2.5
227.14258	21.3
229.15831	11.0
233.13187	3.7
235.14783	3.9
237.12704	2.9
237.16434	3.3
239.14252	5.0
241.15834	3.1
245.13239	2.8
246.14037	2.4
247.14677	4.3
249.16403	3.2
251.14346	5.9
251.17816	2.5
253.15674	2.8
259.14737	2.3
263.14322	2.8
263.18066	3.2
265.15881	8.0
265.19284	4.1
267.17361	3.6
279.17395	3.3
279.21066	4.6
289.19522	6.1
291.17496	3.1
293.18823	3.8
305.18921	2.9
307.20529	18.4
333.22079	6.4
359.23248	2.4
369.21982	2.9
387.23123	7.1
401.28430	6.8
405.23972	3.6
411.26797	7.6
419.29327	15.2
429.27759	31.4
447.28839	86.4
448.28986	2.8
465.29132	3.9
473.53720	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	447.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
54.03533	2.0
55.01862	3.7
55.05498	11.8
56.96552	2.6
57.03437	4.8
57.07076	3.3
67.05493	21.0
69.03419	8.8
69.07062	12.0
71.04984	5.1
71.24937	5.3
73.02927	2.3
79.05499	17.0
81.03398	7.5
81.07050	32.1
81.20344	1.9
83.01345	2.8
83.04967	7.1
83.08593	9.5
85.02895	5.9
85.06551	3.3
91.05414	12.4
93.07043	18.1
95.04964	10.0
95.08598	26.6
97.02914	4.8
97.06530	4.4
97.10165	7.6
99.04491	2.8
99.08067	3.0
100.11250	3.3
105.07005	17.1
107.04951	3.9
107.08575	15.6
109.02882	3.0
109.06522	5.3
109.10165	13.2
111.04438	9.5
111.08046	4.3
117.07024	8.2
119.08562	10.5
121.06501	5.6
121.10150	10.6
123.04417	2.3
123.08082	13.8
123.11691	7.4
125.09655	6.6
127.03909	2.6
129.06963	2.6
131.08546	9.4
133.06473	3.2
133.10182	5.0
135.08003	13.5
135.11653	9.0
137.05963	9.9
137.09647	5.1
137.13194	5.2
139.03860	3.1
139.11192	2.8
143.08571	6.7
143.94637	2.4
145.06538	3.3
145.10136	10.6
147.11594	3.8
149.02332	6.3
149.09618	10.2
149.13301	4.0
151.07533	100.0
151.11169	4.2
152.07834	3.0
153.05461	5.6
155.08580	2.3
155.93437	2.4
157.10130	6.1
159.08080	5.2
159.11739	4.9
161.09615	3.0
162.06721	3.6
163.11180	12.7
165.09081	9.5
167.07037	3.1
170.15320	2.6
171.11691	2.4
173.09621	7.3
173.13284	3.5
175.07556	2.8
175.11163	3.4
176.08345	7.7
177.09106	61.9
177.12616	2.4
182.15427	3.2
190.09962	2.7
191.10664	97.6
193.08539	3.6
193.12207	4.5
203.14311	2.5
205.12213	61.0
210.14883	4.2
247.79433	2.5
249.14757	2.9
267.09003	3.7
285.10101	9.0
286.42032	2.5
287.74277	2.6
303.05103	3.1
337.21512	4.7
355.22638	6.3
361.02640	3.6
373.23608	2.6
381.39001	2.3
429.25815	3.6
429.30750	3.0
447.21988	24.3
447.26935	5.0
447.31900	4.1
448.22095	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	447.3462
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
51.46859	0.4
55.05495	0.8
57.06812	0.5
57.07068	6.7
65.68317	0.3
67.05491	0.9
69.03405	0.6
69.07052	1.1
69.19808	4.4
71.08627	3.8
79.05484	0.9
81.07017	1.1
83.01330	0.7
83.08604	0.5
85.10189	1.8
87.54306	0.4
93.07015	0.7
95.01313	1.6
95.08579	1.1
99.00800	8.8
99.04439	1.6
107.04943	0.5
107.08583	0.7
109.02827	0.8
109.10140	0.7
113.02364	2.1
117.01849	1.3
118.93568	0.4
121.06502	0.5
121.10039	0.4
123.04410	0.5
125.05958	1.1
135.04410	1.0
135.08029	1.2
137.05974	1.0
139.07552	0.4
139.54651	0.4
146.84331	0.5
149.05904	0.8
149.09587	0.8
151.07504	1.1
153.05409	2.6
163.07521	1.9
163.11034	0.5
167.06934	2.1
177.09123	1.8
181.04939	11.5
183.06464	0.7
191.07024	1.5
191.10658	1.3
195.06503	28.4
196.06909	0.7
199.05981	1.1
205.08595	2.0
209.08063	16.5
223.09622	15.7
224.09979	0.4
237.11176	10.7
237.13429	0.7
240.18474	0.4
251.12753	8.4
251.15213	0.7
265.14322	5.4
279.15900	1.6
293.17285	2.1
307.18967	1.1
321.20554	1.2
335.22375	0.7
363.25226	0.4
391.28229	0.8
401.30133	0.4
425.44357	0.4
429.33328	0.6
447.34634	100.0
448.35080	5.0
474.22849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3461
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
50.86386	1.6
55.05500	15.4
57.07069	11.3
65.05733	1.4
65.98598	1.8
67.05516	3.7
69.06718	2.5
69.07060	31.9
69.55854	3.8
69.56257	9.5
71.08615	4.8
79.05474	2.4
81.07032	8.8
83.08607	19.8
85.10161	4.1
93.07021	7.5
95.08614	10.2
97.10149	13.9
98.20744	2.6
100.30262	1.5
107.08574	2.3
109.06458	2.1
109.10134	6.7
111.11707	6.5
121.10082	2.4
123.11703	3.8
125.13236	4.3
137.05945	8.0
137.13264	3.2
139.03931	2.4
139.07533	3.7
141.05460	3.4
147.07971	2.0
149.05974	2.3
151.07527	15.1
159.08012	2.4
161.05995	3.3
165.05461	7.1
165.09096	6.3
167.07019	100.0
175.07465	3.5
177.09094	4.3
178.06258	1.9
179.06929	4.2
179.10579	2.2
181.08583	3.3
187.11082	1.7
189.09048	3.1
191.07080	3.3
191.10625	2.6
193.08563	7.1
203.10632	3.7
205.08611	6.8
207.10196	13.8
215.10568	2.4
217.12109	2.8
219.10121	3.9
221.11656	5.8
233.11794	3.1
235.13171	3.9
239.58240	1.7
247.13319	3.6
260.87372	1.6
278.39938	1.6
291.19443	2.5
333.24240	3.0
347.25748	5.2
373.27286	3.6
411.32672	2.3
429.33594	20.5
430.34113	2.7
447.34775	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	447.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34908	4.0
52.67904	4.5
55.05510	12.2
57.07061	15.2
57.84612	3.7
67.05520	6.0
69.07056	37.3
71.08630	5.9
79.66924	4.6
81.07053	9.4
83.08611	18.5
88.46054	3.7
93.07024	7.3
95.08583	11.9
97.10165	11.9
101.18445	4.0
111.11689	8.9
111.49950	4.0
125.13332	5.0
137.05960	6.9
138.06714	10.3
139.07433	5.6
141.05447	4.6
151.07504	21.9
165.05537	8.4
165.09068	6.7
166.06171	20.7
167.07007	100.0
175.07503	5.3
175.11249	4.2
189.09039	5.5
193.08556	6.3
205.08563	7.5
207.10153	14.5
215.10580	4.7
347.25949	7.9
429.33493	20.7
430.34216	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	447.3466
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05511	18.7
57.07073	17.5
61.60993	2.6
67.05482	8.4
69.06721	3.4
69.07063	41.9
69.60160	16.9
71.04968	2.4
71.08609	7.9
79.05459	2.3
81.07053	16.7
83.04971	4.6
83.08604	23.0
85.10168	5.0
91.05444	5.1
93.07028	10.9
95.04972	2.7
95.08611	18.6
97.10169	12.3
105.06960	2.6
107.08558	4.2
109.06478	3.6
109.10117	9.1
111.11705	7.1
119.74052	2.9
121.06481	4.9
123.07984	2.9
123.11723	5.8
133.10069	2.9
137.05957	13.7
137.13251	4.4
138.06686	3.0
139.03873	7.4
139.07545	5.7
141.05402	5.4
147.08064	3.2
149.05920	3.3
149.09514	2.7
151.07544	20.2
153.05458	3.1
157.10089	2.7
159.11784	3.2
161.05989	3.7
163.07585	2.8
164.08311	2.6
165.05457	9.6
165.09140	18.6
166.06253	6.6
166.09470	3.6
167.07027	100.0
168.07375	2.8
175.07492	2.6
177.09151	4.7
179.06961	3.0
179.10585	2.4
181.04968	18.8
181.08492	4.0
189.09100	7.8
189.12766	3.7
191.06998	4.2
193.08568	7.0
203.10661	3.1
205.08548	7.8
205.12202	4.4
207.10123	12.1
217.12303	3.7
219.10031	2.9
221.11601	3.8
233.11751	5.2
347.25610	5.4
411.32022	2.9
429.32901	20.6
447.21335	3.3
447.33820	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	448.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	4.0
55.93490	4.5
58.06594	5.7
59.51770	3.5
59.68093	3.5
60.04502	10.2
67.05478	11.4
68.99777	3.9
69.03409	11.2
69.45730	33.9
70.06557	4.7
75.25397	4.1
76.40031	3.9
79.05460	5.9
81.03404	6.5
83.04974	35.9
84.04485	15.8
85.02878	7.2
91.05461	6.4
93.03375	14.9
94.06565	7.3
95.04961	18.9
97.02886	5.8
98.20719	5.3
100.03954	6.0
102.05502	6.2
105.03354	5.3
105.07057	4.2
106.06547	23.1
107.04965	4.1
108.08105	4.2
109.02855	6.9
109.06501	4.4
110.06030	5.5
111.04431	33.2
111.05564	7.2
118.06518	15.8
119.04900	5.2
120.04418	20.7
120.08083	7.1
121.02832	18.1
122.06075	5.9
123.04362	24.3
126.05556	9.0
126.06596	13.4
129.05458	16.0
131.04971	4.0
132.04436	30.3
133.02805	5.9
134.03586	3.5
134.05960	15.4
135.04382	8.1
136.07567	9.8
137.06026	7.1
138.05490	5.7
139.03886	23.2
144.06497	5.0
146.05972	9.9
147.04356	8.9
148.07520	12.4
149.02330	15.4
149.05951	5.1
150.03114	5.1
150.05453	7.1
151.03860	10.3
151.06142	11.7
152.07033	8.4
154.08606	4.3
157.04903	8.7
158.05995	6.1
159.77191	3.8
163.03900	23.2
164.07042	21.4
165.05424	9.9
166.04935	6.1
166.06306	3.8
166.08566	4.1
167.03384	7.9
168.06493	6.4
174.05516	5.5
175.03867	6.0
175.06070	5.1
176.07043	10.9
177.01770	7.0
178.02570	5.1
179.03374	11.2
180.06573	7.5
182.08078	10.5
192.06522	25.9
193.04915	4.9
194.08067	9.8
195.02881	12.0
202.04927	9.0
202.09798	10.6
203.03511	5.2
205.96703	4.4
210.07634	7.2
212.09196	4.5
214.07190	4.2
216.11147	5.5
220.06079	24.4
221.04410	4.9
222.07530	6.0
230.09161	12.2
238.07021	25.5
239.05446	5.3
242.09128	7.3
256.08096	15.9
257.10373	8.2
259.11890	100.0
260.22708	4.1
269.98398	4.9
274.09116	4.8
287.05478	33.1
301.14017	12.9
302.12500	48.7
340.72510	4.5
347.24854	3.9
366.11740	4.8
396.12842	5.4
406.17099	13.6
412.12296	15.2
426.02393	12.1
430.13443	31.6
448.14120	51.2
448.19330	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.4
56.05022	1.7
57.05787	0.4
57.14804	0.3
60.05614	1.1
67.05500	0.4
69.03399	0.9
70.06563	0.8
70.71140	0.3
70.71480	0.9
79.05471	0.5
81.03368	0.5
83.04944	1.4
83.06087	1.7
84.04462	0.7
85.02871	1.1
91.05443	1.4
93.03365	0.5
95.04937	0.7
95.06078	0.7
97.02875	0.6
97.07633	0.4
98.07155	0.7
99.05579	0.8
104.04927	0.6
105.03387	3.0
105.05782	0.8
106.06544	7.4
111.04436	1.5
111.05555	7.5
113.07078	1.0
118.06544	2.8
120.04451	14.7
120.08098	0.5
122.06001	0.7
123.05515	1.3
124.07484	0.4
126.06624	11.5
127.07391	0.8
129.05486	0.5
130.06480	0.8
132.04437	25.3
132.08040	0.9
133.05157	0.5
134.05995	10.1
135.04333	0.4
136.07567	0.4
137.04662	2.5
138.05577	0.4
139.03873	0.7
140.08119	1.4
145.03928	0.7
146.02356	1.0
146.05977	0.6
147.04378	0.5
147.05463	0.6
148.07564	0.9
149.02281	0.7
149.07068	0.6
150.05487	0.6
151.04092	0.5
151.05017	0.6
151.06139	10.0
152.06960	0.5
158.05887	0.3
159.05502	0.6
160.07495	0.5
161.07036	0.3
162.06548	0.8
163.03871	1.3
164.07063	0.7
168.08754	3.5
170.05673	0.4
179.03410	0.5
185.07069	0.7
187.08669	0.5
192.06528	0.5
201.09070	0.4
202.09729	16.0
203.08263	0.3
207.96559	0.3
215.08093	0.7
215.36145	0.3
216.11311	4.4
220.06059	0.5
227.09167	0.4
230.09227	11.8
231.12376	1.2
232.08922	0.4
232.10817	5.0
233.71114	0.4
238.07137	0.7
242.09180	3.8
255.27544	0.3
256.08313	0.4
257.10324	6.4
259.11871	87.7
260.12256	2.5
268.11700	0.5
277.12949	2.7
284.11325	4.9
286.12738	0.4
287.05444	4.7
301.14038	10.1
302.12430	38.3
303.12689	0.9
319.15100	2.5
360.16486	0.8
362.18301	1.2
382.61292	0.4
385.16064	0.6
406.17184	16.3
407.17487	0.5
413.15631	0.5
426.02399	0.7
430.13312	0.5
430.18466	1.3
431.16663	1.2
448.19348	100.0
449.06985	0.3
449.19690	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	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74760	0.6
53.03953	1.0
55.01855	0.9
55.05498	1.6
57.03431	8.1
57.83989	0.5
59.05003	0.8
61.02915	1.8
65.39191	0.6
69.03427	4.1
69.03741	0.8
69.64529	3.8
71.01373	0.6
71.04987	66.7
72.05314	1.0
73.02910	2.4
75.04472	5.5
81.03407	1.2
83.04972	6.9
85.02896	100.0
86.03226	1.1
87.04465	2.1
92.35590	0.5
93.07011	0.7
94.98801	0.6
95.47723	0.5
97.02884	5.1
99.04466	1.5
101.06013	0.6
103.03922	1.1
105.07041	1.8
109.02857	1.3
109.83479	0.5
111.04417	5.2
127.03893	6.4
129.05464	47.8
135.04457	0.7
145.04953	7.8
146.08130	1.8
147.06503	27.4
153.05603	0.7
155.76833	0.5
163.06038	2.5
164.09138	6.9
171.73239	0.5
175.61633	0.5
175.71561	0.5
189.50830	0.6
193.29095	0.5
225.07892	0.6
229.04967	0.6
233.15376	0.8
255.08765	2.6
273.09689	0.9
285.13290	0.8
287.05548	1.4
303.04965	10.3
309.11850	2.1
349.07166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.0
56.05028	15.0
57.03423	4.4
57.07063	2.3
58.06585	10.7
60.04503	2.6
61.02901	5.4
65.04004	2.1
67.05491	10.2
69.03419	15.7
69.07063	6.7
70.06570	7.5
71.04497	4.6
71.04971	3.0
71.77621	2.0
72.04495	1.8
72.63099	1.8
73.02908	2.9
74.06051	4.6
79.05470	8.7
81.03399	6.1
81.07045	12.6
82.06559	6.9
83.04972	14.6
83.08595	9.4
84.04487	5.0
84.08131	6.7
85.02896	24.3
85.06525	4.6
86.06031	6.3
87.04455	3.6
91.05453	3.4
93.07025	15.4
94.06583	3.1
95.04974	9.5
95.08588	10.9
96.08119	5.0
97.02865	13.9
97.06517	4.8
98.06024	5.9
98.09667	15.0
99.04410	9.0
100.07584	10.1
104.63893	1.8
105.07027	11.4
107.08585	19.6
108.08104	8.8
109.02851	3.6
109.06503	11.6
109.10153	13.2
110.06040	7.3
110.09663	5.3
111.04427	5.9
111.08070	3.0
113.02334	1.9
113.06007	2.4
114.05496	3.9
115.03941	2.8
117.06991	3.6
119.08549	13.0
121.02884	1.9
121.06458	3.4
121.10122	16.3
122.09658	5.1
123.04432	1.8
123.08050	8.6
123.11699	7.1
124.07553	4.7
124.11212	4.2
125.09636	9.0
126.05511	2.4
126.09155	4.8
127.03893	8.2
129.06989	3.2
131.08542	5.9
132.04449	4.1
133.10098	9.7
134.09634	3.1
135.08051	5.3
135.10493	1.8
135.11682	3.3
136.07503	2.0
137.05988	3.4
137.09561	3.9
138.05481	4.6
139.03897	2.9
139.07603	2.0
142.08623	6.5
145.04915	2.9
145.10101	4.0
147.11644	9.2
148.11163	5.1
149.09650	12.1
149.13242	3.0
150.09155	3.0
150.12770	2.3
151.07504	3.8
151.11176	10.1
154.08601	6.3
157.04929	3.7
157.10117	2.4
159.11723	2.4
161.13216	3.9
163.03865	3.6
163.11145	4.1
163.14792	2.3
164.14305	5.2
165.12735	5.4
166.12170	2.8
167.10681	2.8
167.14314	4.4
168.10187	2.5
168.13828	2.2
171.11775	2.1
173.13222	4.5
174.12732	3.3
175.11142	4.8
178.84102	2.0
181.12167	2.4
186.07617	6.0
187.06035	4.9
189.12715	4.0
190.15854	3.7
191.14302	4.7
192.06657	1.9
192.13805	4.5
193.12265	6.2
202.09752	3.0
204.08658	18.3
207.13824	9.4
208.17152	2.4
209.15372	13.6
211.13359	3.0
213.05479	2.2
215.14244	3.5
222.09724	21.2
224.16466	3.7
225.14777	7.3
230.09218	2.7
232.16937	8.1
233.15344	7.0
250.17979	65.1
251.16319	14.6
251.18591	2.4
259.11850	13.0
268.19034	100.0
286.20215	9.9
287.05478	14.8
302.12442	4.5
367.36801	2.0
406.17224	3.3
412.23285	3.0
430.24298	29.4
448.19223	20.8
448.25287	84.2
449.20096	3.1
449.25848	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	448.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36322	0.5
55.05476	2.2
57.03414	1.0
57.07073	7.6
58.06562	1.9
61.02895	0.5
64.22610	0.7
64.28518	0.6
65.03937	0.6
67.05486	6.1
68.05009	0.5
69.07041	1.8
69.90798	2.2
69.91219	1.3
70.06583	17.7
71.08630	3.1
76.03134	0.6
79.05478	4.1
81.03404	0.7
81.07043	5.1
83.04974	1.1
83.08591	1.2
85.10158	1.0
85.70157	0.5
88.07623	23.0
91.05453	4.0
93.07045	5.3
95.04937	1.4
95.08584	2.9
97.06499	1.2
97.10143	0.8
97.49801	0.5
97.95850	0.6
102.09167	16.7
104.02560	1.4
105.06990	2.6
107.08574	4.2
109.06463	0.6
111.08100	0.6
117.07001	0.6
118.04134	1.1
119.04928	3.2
119.08549	1.9
120.20514	0.6
121.10099	1.1
123.08056	0.7
131.08519	1.6
132.01132	0.7
132.02071	9.1
133.10091	1.5
135.11661	3.1
136.01530	7.7
143.08540	0.6
145.10074	1.4
147.04393	23.6
148.05145	1.1
149.02303	1.8
149.13261	1.4
157.10074	1.1
157.21970	0.6
159.11662	1.8
169.10088	0.6
171.07973	0.7
175.03888	51.6
176.04553	2.4
180.04175	9.9
182.10786	0.7
187.11133	0.7
191.07056	2.8
201.12802	0.7
215.14337	1.2
219.06500	87.4
220.06877	2.0
256.26318	56.6
257.26627	2.9
287.05450	1.4
303.05029	0.8
308.20654	0.6
322.29309	0.6
448.30545	100.0
449.30612	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	449.1074
Annotation	CHEBI:75893
Peak:m/z	Relative Intensity
50.13080	0.8
51.23722	0.9
55.01863	1.1
55.05498	1.3
55.44021	0.9
57.03415	2.9
61.98125	0.8
67.05503	2.2
68.99772	1.1
69.03410	2.6
70.06563	0.9
71.04627	1.3
71.04986	18.5
74.06046	0.9
81.03408	1.0
81.07036	2.4
85.02896	21.0
91.05449	3.1
93.07050	1.8
95.08585	1.1
103.03910	1.0
107.04933	2.1
107.08553	0.9
109.02856	1.7
109.10108	2.9
111.00796	1.5
111.82368	1.0
114.62900	1.0
119.04925	2.2
121.02837	2.9
123.04433	1.3
127.03848	0.9
129.05464	5.0
131.08534	1.4
135.04355	2.4
137.02327	8.1
141.01826	1.4
147.04358	6.3
148.04680	1.4
149.02339	2.4
153.01787	6.3
161.02376	1.1
163.03876	1.9
165.01816	11.6
167.03365	3.1
173.11700	3.5
179.01685	1.0
179.03307	1.2
183.02867	4.9
187.03802	1.5
191.03363	1.3
195.02837	1.7
201.05411	2.2
203.03505	1.2
215.03413	1.4
229.04930	4.7
229.68971	0.9
251.60239	0.9
257.04453	3.7
271.05872	2.0
274.04736	1.2
280.10733	1.3
283.06152	5.5
285.04089	1.2
286.04575	2.8
287.05460	11.3
297.04367	1.3
297.07370	4.9
299.05460	56.9
300.06158	6.5
303.04959	100.0
304.05225	3.7
311.05380	5.9
311.08624	1.7
313.07086	1.9
315.04907	2.2
321.07584	1.1
323.05414	1.4
324.06229	1.2
325.07028	11.3
327.05017	1.3
329.06522	40.6
330.06992	1.6
339.08710	8.0
345.06079	3.2
353.06537	19.0
365.06546	5.9
367.08011	2.2
369.05850	1.4
377.06674	5.1
383.07574	10.4
395.07574	10.6
413.08551	15.0
431.09924	6.0
449.10736	4.9
449.20465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02919	5.4
68.70325	0.5
69.03422	0.7
69.40000	5.3
70.20467	0.5
73.02915	1.6
74.94975	0.5
84.41992	0.5
85.02905	5.5
89.04331	0.5
90.90833	0.6
91.03951	3.1
97.02879	2.3
98.20760	1.2
111.00800	1.0
121.02855	2.2
127.03903	1.2
137.02310	1.1
153.01828	4.2
165.01852	2.1
169.66679	0.7
183.02815	1.1
214.20749	0.6
218.49265	0.6
223.44624	0.6
248.24258	0.6
258.05267	1.1
287.05472	100.0
288.05798	4.6
325.22803	0.7
327.17645	0.6
404.57684	0.7
449.17834	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	449.1072
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.12292	1.0
55.22641	1.1
57.03421	3.4
67.39790	1.1
69.43240	2.5
69.43652	8.2
71.04985	23.8
85.02899	21.8
129.05486	6.6
137.02315	2.3
153.01837	3.1
165.01819	1.9
201.05460	1.4
229.04897	3.4
257.04456	2.1
264.81348	1.4
303.04962	100.0
304.05350	3.6
315.04767	1.9
345.05908	2.7
377.65686	1.4
413.08688	1.6
431.09854	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	449.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38779	0.7
57.03423	8.2
66.91531	0.8
68.99770	1.0
69.39916	3.2
69.40355	3.6
71.04967	1.9
73.02898	2.3
75.04470	22.8
76.37854	0.8
85.02896	5.0
100.32565	0.7
113.18331	0.7
117.11726	0.7
121.02837	1.1
132.67389	0.7
137.02316	2.7
153.01797	3.8
165.01846	1.1
183.02901	0.9
190.07698	0.8
201.05440	1.5
204.97406	0.8
219.06595	0.9
229.04997	4.1
257.04385	2.8
285.03867	2.3
287.05460	3.5
303.04950	100.0
304.05347	3.9
305.05435	1.2
317.06406	2.3
456.08585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01865	2.5
55.05504	26.9
57.03428	14.7
59.05002	2.4
65.03939	4.9
67.05495	68.5
69.03419	5.5
69.07054	21.1
71.04987	11.5
79.05482	57.1
81.03410	41.6
81.07047	100.0
83.04976	15.5
83.08612	22.3
85.02894	21.1
85.06553	6.9
91.05469	60.9
93.07033	53.0
95.04956	41.0
95.05534	3.4
95.08588	37.3
97.02889	4.5
97.06530	9.1
97.10151	15.3
98.21490	5.9
99.08038	4.5
99.56433	2.2
103.05472	2.5
104.28037	2.3
105.07014	69.9
107.04955	12.6
107.08575	37.0
109.06500	13.5
109.10162	14.1
111.08080	9.4
115.05445	2.4
117.07025	10.1
119.04910	2.8
119.08570	37.8
121.06496	8.3
121.10118	20.1
123.08067	8.2
123.11705	9.0
125.06068	2.9
125.09624	9.1
129.06996	13.0
131.08536	15.9
133.06496	4.3
133.10062	11.9
135.08064	7.3
135.11685	7.6
137.06001	4.0
141.06984	3.2
143.08562	7.5
145.10085	14.7
147.08041	6.1
147.11652	38.6
149.09657	6.1
149.13284	4.1
151.11246	2.7
153.05539	2.9
153.09094	2.4
155.08530	2.6
157.10097	12.8
159.08051	2.5
159.11752	6.5
161.09651	5.2
161.13283	3.0
162.49760	2.4
163.11130	3.6
165.12775	11.6
169.10094	3.2
170.07446	2.4
171.11719	9.2
175.11127	11.9
177.12682	3.5
181.10167	2.8
187.14871	3.7
189.11235	6.8
189.12721	5.0
193.12228	38.5
195.11688	2.4
201.12894	2.3
205.12238	3.9
205.15877	4.0
211.13240	26.1
227.12785	4.9
230.24892	2.5
239.16467	4.7
261.18454	2.2
267.15982	4.9
285.16983	6.2
287.05560	11.5
303.04980	15.2
339.22983	15.4
357.24203	32.5
375.25241	7.3
423.33765	2.6
431.27847	32.2
449.28986	91.3
450.29346	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	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
53.04156	1.3
55.01871	6.4
55.05505	30.8
57.03432	12.5
57.07053	4.3
62.47515	1.4
65.03931	5.9
67.05498	100.0
69.03410	1.8
69.07063	33.1
69.96174	7.7
71.01342	4.1
71.04996	8.2
71.19687	1.3
79.05486	81.6
80.05825	2.2
81.03421	10.0
81.07048	85.2
83.04973	14.9
83.08617	15.0
85.02890	1.4
85.06533	7.3
89.03281	1.2
91.05035	0.8
91.05472	43.0
93.07035	97.7
94.07384	1.7
95.04955	15.1
95.08604	30.7
97.06524	24.1
97.10143	12.0
99.04470	2.0
99.08086	5.5
104.86737	1.3
105.04478	2.3
105.07011	15.3
107.04934	3.2
107.08585	62.6
109.06531	5.8
109.10162	8.7
111.08054	9.0
115.05442	1.3
117.07018	13.4
119.08549	10.0
121.06528	4.2
121.10124	23.7
121.82772	1.6
123.08006	2.0
123.11743	3.0
125.09612	3.0
129.07034	2.3
131.08528	10.2
133.06458	1.4
133.10124	10.1
135.08046	3.1
135.11681	56.9
137.09618	2.9
139.11172	2.0
143.08580	2.8
145.10107	13.8
147.08011	2.1
147.11703	3.8
149.09575	1.4
149.13243	38.1
153.12750	2.8
157.10124	3.4
159.11659	11.6
163.11137	9.5
165.12733	1.3
171.11696	3.9
177.12701	7.4
181.12172	9.0
185.13303	2.1
195.13799	10.1
199.11302	2.2
199.13179	2.0
213.14810	3.3
287.05618	4.2
303.04916	3.1
357.24353	2.8
431.28568	2.1
447.82706	1.3
449.28961	73.6
450.29309	2.5
458.68726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3044
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03931	5.9
55.01855	7.8
55.05507	19.1
56.58602	3.2
57.03413	3.0
59.04979	2.6
60.32963	2.7
67.05496	43.2
69.03406	3.5
69.07069	18.2
69.40249	5.3
69.40656	22.0
71.04977	2.8
79.05480	31.8
81.07047	59.5
83.04969	17.3
83.08591	7.6
85.17864	2.8
91.05466	38.7
93.07032	62.3
95.04951	16.1
95.08599	100.0
97.06519	11.1
97.10171	3.3
97.83120	2.8
98.20729	5.8
99.04447	2.9
105.07015	61.9
107.08581	58.5
109.06529	13.9
109.10147	22.3
111.04420	9.3
111.08051	12.0
114.09132	4.5
115.05418	5.1
117.06989	20.6
119.08568	69.3
121.06484	10.2
121.10129	39.1
122.94865	3.7
123.08076	15.3
123.11732	16.1
125.09619	4.7
125.78519	2.7
127.40691	3.1
128.06195	9.3
129.07011	16.0
131.08549	47.2
133.06451	8.6
133.10114	52.6
135.08043	19.5
135.11674	24.0
137.05939	3.8
139.07530	4.0
141.06947	6.8
142.07758	12.9
143.08546	48.1
144.09322	5.8
144.75739	2.9
145.06458	9.1
145.10104	62.1
147.08035	23.6
147.11661	31.3
149.09563	6.3
149.13216	7.9
155.08517	21.7
156.09341	8.4
157.10120	33.4
158.10867	4.7
159.08041	36.6
159.11687	51.2
161.09612	39.5
161.13196	19.2
163.07637	2.8
163.11179	7.3
163.14766	3.2
167.07164	2.9
167.08516	8.9
168.09288	3.7
169.10123	25.5
170.10849	5.5
171.07988	7.1
171.11671	29.0
172.08847	6.8
173.09616	37.6
173.13228	32.8
175.11137	20.7
175.14821	13.7
177.12732	5.2
179.10683	3.3
181.10086	9.0
182.10870	5.2
183.11658	29.2
185.09592	22.3
185.13234	27.5
186.10318	6.5
187.11159	36.1
187.14783	26.5
189.12746	22.6
189.16399	9.4
191.14275	4.4
193.10159	6.1
195.11670	9.3
197.09590	6.4
197.13245	20.0
199.11171	20.6
199.12714	3.1
199.14792	20.1
200.11841	3.4
201.12746	59.7
201.16324	11.6
203.14302	18.4
207.11562	6.3
209.09633	3.3
209.13194	10.6
211.11301	4.6
211.14813	14.9
213.12727	21.9
213.16373	11.7
215.14272	56.1
217.12244	3.5
217.15900	14.9
219.06514	3.5
219.13661	4.6
221.13391	7.2
221.15311	5.2
223.14780	7.4
225.12766	6.9
225.16347	10.0
227.14253	17.6
229.15837	45.7
231.13794	5.3
231.17441	9.1
233.15280	3.8
234.14101	3.1
237.16370	5.1
239.14409	4.6
239.17885	6.4
241.15727	6.9
243.17569	3.4
245.15332	5.6
247.14757	3.9
247.16972	4.6
249.16336	4.8
251.14337	4.4
253.15791	4.7
255.17493	4.4
267.17441	12.2
277.19629	3.7
281.18848	3.5
281.22522	6.0
287.05289	6.6
291.20947	7.6
293.22281	3.5
303.04828	4.0
307.20587	9.3
309.22073	28.0
335.23636	9.1
375.26813	6.0
389.24597	4.2
403.30243	17.6
413.28256	10.6
421.30997	9.2
431.29358	55.9
432.29428	5.8
449.30841	77.9
450.31088	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	449.3043
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03935	2.2
55.01854	2.0
55.05504	11.2
57.03431	16.5
57.07070	13.3
67.05495	17.8
69.03432	2.3
69.07066	9.3
69.18194	1.0
69.21914	3.1
69.22322	10.2
71.04951	1.8
71.08615	6.4
79.05480	9.1
81.03415	1.5
81.07046	21.9
83.04967	6.1
83.08612	7.6
85.06488	1.1
85.10146	3.2
91.05463	13.3
93.07037	18.3
95.04955	9.1
95.08595	35.7
97.06512	3.1
97.10159	3.4
98.21499	2.7
98.98447	26.1
99.04459	1.4
99.08069	1.3
105.07014	18.0
106.40690	1.1
107.04956	3.2
107.08583	19.1
109.06490	4.6
109.10129	14.1
111.04421	4.1
111.08067	3.6
113.00004	2.2
115.05452	1.3
115.98210	1.0
116.29661	1.0
117.07015	5.2
119.04863	1.1
119.08566	18.6
121.06490	4.2
121.10139	11.5
123.08050	4.9
123.11697	4.2
125.09620	1.4
128.06233	2.0
129.07002	11.3
130.07755	1.8
131.08539	13.5
133.06477	1.5
133.10121	13.9
135.08055	3.9
135.11681	5.2
136.99971	20.6
137.05980	1.2
137.09587	1.5
137.13235	2.8
139.07486	1.4
141.06987	1.8
141.09013	1.3
142.07782	3.6
143.08533	11.3
144.09348	7.8
145.06462	1.8
145.08998	2.1
145.10104	27.2
147.08032	5.1
147.11688	8.6
149.09586	2.3
149.13188	2.9
153.05472	2.0
154.84122	1.0
155.01018	21.7
155.02176	2.0
155.08557	5.7
156.09293	3.8
157.10107	12.7
158.10887	3.4
159.08025	6.4
159.11646	15.8
161.09587	7.4
161.13203	3.3
163.11153	1.8
163.13173	1.2
166.07471	1.1
167.08632	2.4
169.02576	1.3
169.10106	6.2
170.10847	2.0
171.08051	2.7
171.11615	7.6
172.08878	1.2
172.12395	1.8
173.09625	8.6
173.13208	6.8
175.11198	2.7
175.14790	4.9
178.02710	1.5
179.08455	1.4
181.10085	8.9
182.10896	3.8
183.08040	2.6
183.11674	8.9
184.12221	1.4
185.09637	5.2
185.13199	7.2
186.10422	1.8
187.11195	5.7
187.14784	10.7
188.11975	1.8
189.12737	2.3
189.16446	1.8
193.02589	4.9
193.10100	3.1
195.08060	1.3
195.11661	8.9
197.09558	1.7
197.13235	10.3
198.13870	1.3
199.11156	4.0
199.14851	5.9
200.11845	1.7
201.12740	4.3
201.16336	5.0
203.14279	4.6
207.11674	3.5
208.12419	1.4
209.09677	2.0
209.13242	6.8
211.03685	4.7
211.11153	3.5
211.14795	5.3
212.11844	1.8
213.12685	5.4
213.16277	2.8
213.91743	1.0
215.14308	7.6
217.15892	3.0
219.11496	1.4
221.13214	4.0
221.15245	1.4
222.14063	1.3
223.14784	11.0
224.11864	1.3
224.75349	1.1
225.12682	3.5
225.16199	2.9
227.14288	4.1
228.15092	1.7
229.15871	4.8
231.13715	2.0
233.13148	1.1
235.14793	1.8
237.12747	2.1
237.16412	4.5
238.17130	4.9
239.14220	3.3
239.17877	4.3
243.17401	1.7
247.16814	1.7
249.16423	3.2
251.14236	2.6
251.17973	1.8
253.15927	3.1
255.17526	1.9
263.17960	1.7
265.15845	2.6
265.19516	1.3
267.17441	3.0
275.17868	1.3
279.20953	2.1
281.19055	1.7
281.22397	2.1
283.20639	1.6
291.21207	1.5
307.20520	1.8
309.22101	11.2
313.27292	19.1
323.92535	1.4
325.21622	1.5
335.23544	3.0
337.27512	2.4
357.24008	5.4
363.23514	1.6
375.25159	1.6
389.24582	1.3
403.29944	4.0
406.24954	38.9
407.25381	2.5
413.27945	1.2
421.31030	8.0
431.29211	14.2
449.30804	100.0
450.31158	6.6
467.31552	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	449.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	10.2
55.05511	26.1
57.03428	7.8
67.05167	4.1
67.05497	63.7
69.03410	3.8
69.07069	27.1
71.04999	5.5
71.57203	3.9
71.57650	5.8
74.85722	3.7
79.05482	50.5
79.33631	2.9
81.03397	6.0
81.07047	79.0
83.04977	22.8
83.08594	11.9
85.06554	3.1
86.62114	3.7
91.05467	44.4
93.06448	5.4
93.07034	100.0
95.04966	19.2
95.08597	93.0
97.06506	16.7
97.10158	6.1
98.45782	3.9
100.55742	3.5
105.07030	55.7
107.08582	69.4
109.06477	5.2
109.10138	23.4
111.04449	6.6
111.08066	14.8
115.05499	4.3
117.07011	25.9
119.07890	4.2
119.08578	49.2
121.06487	14.0
121.10128	42.7
123.08054	9.0
123.11669	14.1
125.09589	7.0
128.06219	10.8
128.48694	3.5
129.06982	14.7
130.07715	5.4
131.08556	42.3
133.06522	5.1
133.10101	36.8
135.08035	13.7
135.10942	3.2
135.11710	33.9
137.09636	7.0
141.06952	10.9
142.07762	18.8
143.08543	33.9
145.06459	9.5
145.10106	47.9
146.07234	3.8
147.08069	19.4
147.11681	29.5
149.09581	9.7
149.13219	21.7
155.08554	16.4
156.09294	11.9
157.10104	48.9
159.08038	27.2
159.11665	43.0
161.09579	24.1
161.13245	15.2
163.11136	7.8
167.08490	6.1
169.10118	24.2
170.10873	5.0
171.08037	6.4
171.11665	32.2
172.08907	7.5
173.09586	28.6
173.13206	37.6
175.11145	20.2
175.14734	10.8
177.12781	6.1
181.10132	7.3
182.10899	6.3
183.11690	25.9
185.09653	20.6
185.13194	28.7
186.10414	5.7
187.11157	24.7
187.14821	21.8
189.12666	17.1
189.16374	7.7
191.14244	5.2
194.10982	6.3
195.11658	10.9
195.13704	6.2
197.13219	20.3
199.11163	14.1
199.14799	15.9
201.12726	46.3
201.16325	8.2
203.14302	10.1
207.11674	7.5
209.13234	13.4
211.11243	4.2
211.14787	17.1
213.12714	11.9
213.16325	14.6
215.14296	41.9
217.15822	9.6
219.13658	6.6
221.13293	8.1
221.15396	4.1
223.11205	4.2
223.14742	9.4
225.12717	6.1
225.16289	8.3
227.14285	17.4
229.15923	24.7
231.17413	5.3
233.15436	4.2
235.14824	6.6
239.14183	4.3
241.15906	5.3
243.17625	4.8
247.16959	6.0
249.16422	8.2
253.15921	4.2
265.19461	7.1
267.17361	10.6
287.05417	5.3
291.20959	12.1
293.22617	4.6
303.04852	4.1
307.20401	3.8
309.22171	19.0
335.23575	6.7
349.24463	5.5
357.24060	8.5
389.24658	6.1
403.29828	10.0
413.28198	7.1
421.30853	10.1
431.29370	45.7
449.30161	69.0
450.30127	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	450.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.3
57.03224	1.9
57.03431	21.7
59.04984	8.7
60.04523	4.4
61.02907	6.5
69.03423	97.3
70.06585	2.5
70.10679	2.4
71.04976	2.1
71.06162	1.9
71.52469	2.1
72.89830	2.0
73.02892	5.3
75.04440	2.9
81.03403	9.0
83.04967	2.3
85.02894	84.0
87.04459	64.8
91.03949	4.4
91.05470	7.4
92.78150	2.1
93.07082	2.5
95.04951	3.9
97.02882	80.4
97.03508	4.8
99.04437	4.3
103.03928	4.3
105.43924	2.2
107.04954	17.9
109.02845	4.8
111.04431	2.7
115.03913	98.6
117.03371	4.8
117.07010	7.6
121.02856	7.0
121.06490	52.1
123.04416	7.6
124.07631	3.2
126.22665	2.7
127.03916	16.1
133.04950	100.0
135.04396	8.6
137.05983	3.4
139.03917	6.8
144.08003	4.3
145.02791	5.7
145.04956	19.7
145.06464	38.9
147.04384	5.3
150.07602	20.0
153.54614	2.1
159.08002	6.0
159.09193	5.2
163.03905	14.3
163.06039	5.9
163.07530	26.7
165.01788	6.7
165.05577	2.6
169.04929	3.5
171.08025	3.4
173.02359	2.3
175.07480	18.2
177.01770	3.9
177.05482	10.5
179.03363	2.6
179.07085	4.9
181.08615	2.2
183.02821	3.6
183.08005	3.6
187.07507	16.4
189.09074	3.6
191.03413	3.1
193.04895	3.0
195.02867	9.3
201.09129	2.6
203.03406	4.7
205.08546	15.7
207.10167	6.9
217.08563	24.1
219.02953	2.8
229.08585	7.2
234.96870	5.9
235.09680	10.5
239.07013	3.2
241.07124	5.3
244.68655	2.1
245.04605	2.6
245.09134	3.9
247.09651	5.3
249.03926	5.9
252.97923	19.2
257.08139	3.5
259.08289	4.0
265.10681	6.0
271.05957	2.7
277.09219	2.5
281.08032	3.4
283.06061	2.8
285.07648	5.4
287.05493	7.3
288.03024	2.3
288.05807	16.1
289.52377	2.6
295.10175	2.7
301.06955	3.7
313.06989	4.2
409.02191	4.0
427.02966	2.6
450.16144	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	451.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	0.5
57.03433	7.5
61.02905	2.0
68.99776	1.5
69.03418	0.9
69.25985	3.9
69.26394	1.2
72.78464	0.5
73.02908	14.0
78.69193	0.6
83.99142	0.4
85.02885	1.0
85.36066	0.5
98.20794	1.1
101.57793	0.5
109.02858	0.9
111.00806	2.6
115.03883	0.7
133.05026	0.5
137.02344	1.9
137.05989	0.9
139.03860	0.8
153.01804	12.6
161.05949	0.7
163.03825	0.7
165.01801	3.4
169.77478	0.5
179.03401	1.3
183.02870	1.8
199.03893	0.8
203.03308	0.6
207.02872	0.7
217.04953	3.9
220.94507	0.5
245.04407	3.9
255.02849	0.9
259.09662	0.6
263.05341	0.7
271.05814	0.6
273.03928	5.1
274.78372	0.6
285.68430	0.5
289.10715	1.7
290.04108	1.1
301.03351	1.4
319.04446	100.0
320.04788	4.1
343.04425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0865
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
57.03189	0.5
57.03433	7.5
61.02905	2.0
68.99776	1.5
69.03418	0.9
69.25985	3.9
69.26394	1.2
72.78464	0.5
73.02908	14.0
78.69193	0.6
83.99142	0.4
85.02885	1.0
85.36066	0.5
98.20794	1.1
101.57793	0.5
109.02858	0.9
111.00806	2.6
115.03883	0.7
133.05026	0.5
137.02344	1.9
137.05989	0.9
139.03860	0.8
153.01804	12.6
161.05949	0.7
163.03825	0.7
165.01801	3.4
169.77478	0.5
179.03401	1.3
183.02870	1.8
199.03893	0.8
203.03308	0.6
207.02872	0.7
217.04953	3.9
220.94507	0.5
245.04407	3.9
255.02849	0.9
259.09662	0.6
263.05341	0.7
271.05814	0.6
273.03928	5.1
274.78372	0.6
285.68430	0.5
289.10715	1.7
290.04108	1.1
301.03351	1.4
319.04446	100.0
320.04788	4.1
343.04425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63019	2.3
55.01859	2.6
57.03426	4.9
68.99794	2.8
69.03426	5.5
71.56094	4.3
81.03405	3.5
85.02887	13.0
89.03898	3.5
95.04984	4.3
97.02888	5.6
103.03979	2.8
107.04945	100.0
109.02837	4.2
115.03899	2.8
117.03358	6.9
119.04961	3.9
121.02819	12.2
123.04419	12.1
133.04929	3.0
135.04402	9.9
139.02979	2.5
139.03883	12.2
144.08075	4.0
145.02809	12.9
147.04385	6.6
147.33813	2.1
149.06007	2.5
151.03879	5.4
153.01855	4.8
154.29300	2.2
159.04323	2.5
163.03911	14.8
165.01833	24.5
165.07111	3.1
173.02333	10.9
175.03831	3.4
177.01845	15.7
177.05443	19.8
179.03346	3.6
183.02846	18.9
183.08119	3.5
184.64992	2.4
187.03888	2.8
189.01799	5.2
191.03374	8.4
195.02895	31.3
203.03369	6.1
205.04997	5.1
215.03525	2.7
217.04918	2.9
219.02922	8.4
231.02942	9.6
233.04471	5.6
239.06973	15.5
243.02687	2.6
243.06526	3.1
249.03922	11.4
252.40356	2.6
253.08353	3.7
253.98286	2.7
255.06528	6.3
257.04672	2.2
257.08072	9.9
261.03900	6.3
267.06454	10.6
271.06131	3.3
277.05386	2.8
281.08081	9.4
283.05963	3.3
285.07602	21.8
295.06052	7.2
301.07004	19.4
309.07547	16.5
313.06949	15.1
331.08231	12.1
337.07150	5.0
351.08514	7.0
355.07968	17.0
367.07938	11.7
379.08237	4.6
397.09262	3.9
415.09753	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.7
55.01872	18.6
55.05506	26.7
57.03432	14.7
57.07066	5.9
59.50953	3.0
61.02909	5.2
62.35061	2.9
65.03916	4.8
65.17131	2.5
67.05505	51.2
68.99776	16.7
69.03072	5.0
69.03426	85.6
69.06758	3.5
69.07059	36.3
69.40321	9.4
69.40749	19.3
71.04986	32.9
73.02891	11.6
79.05479	36.8
81.03404	51.5
81.07053	70.1
83.04973	16.4
83.08595	12.6
85.02416	4.7
85.02901	71.3
85.06521	6.5
85.09143	2.9
87.00824	41.1
87.04464	4.7
91.05470	46.5
93.07039	54.4
95.01335	3.2
95.04964	27.2
95.08599	99.1
97.02879	39.2
97.06531	53.6
97.10168	7.5
98.20761	5.9
99.04433	13.4
99.08053	6.4
101.03901	2.9
103.03929	11.3
105.01846	13.3
105.07020	85.1
107.04935	14.2
107.08577	55.8
108.41679	2.8
109.02877	26.3
109.06505	17.5
109.10150	73.6
111.04433	19.0
111.08065	6.4
111.11680	3.2
115.03921	19.1
115.05414	6.3
117.01804	4.6
117.07033	16.3
119.04891	3.7
119.08572	100.0
121.06502	17.9
121.10136	53.7
121.44458	2.8
123.04409	7.8
123.08045	16.1
123.11697	28.4
125.05981	8.7
125.09592	5.2
127.03916	32.6
127.07544	6.6
127.11243	17.3
128.06195	5.2
129.01820	10.3
129.07022	15.6
130.07742	4.8
131.04805	3.2
131.08566	43.8
133.06479	10.1
133.10126	55.0
135.04407	6.9
135.08051	12.0
135.11688	23.6
137.05980	11.9
137.09613	16.9
137.13249	5.6
139.11203	5.8
141.06938	9.5
142.07787	18.5
143.08548	37.1
144.09309	7.0
145.06444	6.9
145.10106	72.4
147.02904	5.3
147.08018	10.9
147.11678	49.1
149.05988	8.0
149.09584	10.5
149.13248	14.5
151.07542	6.1
151.11142	9.4
153.05421	4.6
153.07034	3.6
153.09056	4.4
153.12741	3.8
155.08496	18.5
156.09352	15.6
157.08789	2.1
157.10120	61.4
158.10843	4.3
159.02861	11.3
159.04288	3.1
159.08040	8.3
159.11681	66.6
160.12535	3.0
161.02335	11.5
161.05922	3.4
161.09593	12.2
161.13229	24.3
163.03883	22.1
163.07529	4.5
163.11150	6.4
163.14897	4.0
165.06924	3.4
167.07072	4.7
167.08528	9.0
168.09329	5.3
169.10112	20.5
170.10808	3.2
171.08040	9.7
171.11685	31.3
172.12471	4.2
173.02290	21.8
173.09586	8.8
173.13268	25.3
174.10138	3.1
175.07492	3.7
175.11160	13.9
175.14821	11.3
177.12723	8.7
177.16307	6.7
179.08530	6.6
179.10617	3.0
181.10080	11.1
182.10895	4.1
183.08035	3.8
183.11681	18.5
185.09592	11.4
185.13206	12.3
187.07533	4.2
187.11172	8.8
187.14780	23.4
189.03929	12.4
189.09079	5.7
189.12714	9.1
189.16365	35.5
191.10667	6.2
191.17912	3.8
192.09308	4.8
193.12206	4.2
195.11673	9.6
197.13318	15.7
199.11163	7.1
199.14778	10.1
201.03845	14.5
201.12744	8.9
201.16373	32.6
203.10579	3.6
203.14275	4.5
203.17928	24.5
207.11668	9.2
207.13681	4.2
209.13225	11.5
211.14862	4.2
213.12730	6.9
213.16380	18.4
215.07004	27.9
215.10675	2.8
215.14320	8.6
215.17923	24.3
217.12230	3.7
217.15884	3.4
219.11827	4.7
219.17375	5.8
223.11284	4.4
223.14809	8.6
225.12738	19.1
225.16377	10.5
227.14293	5.2
227.17911	10.5
229.16003	3.5
231.05011	4.9
231.17404	14.9
233.18932	9.3
239.14359	6.5
239.17886	4.4
241.15800	9.0
243.13765	14.6
243.17375	11.3
245.18979	13.1
251.09500	3.3
251.14117	3.9
251.18031	6.0
255.17606	3.7
257.19046	7.6
259.09671	67.0
259.16873	4.1
260.09860	5.1
261.14929	4.2
261.18433	6.7
267.17526	4.0
269.18991	5.2
275.17700	4.3
275.20328	4.3
283.20456	4.3
287.20132	4.7
293.18857	8.6
311.20013	26.2
329.21005	26.9
337.12888	3.2
347.14828	4.0
347.21954	8.4
365.15930	6.6
365.23099	4.9
389.22931	6.1
397.20004	5.1
407.24435	4.3
415.20908	15.6
433.21951	27.8
451.23187	73.8
452.23578	4.4
477.12915	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	451.3202
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
51.27154	2.2
55.05504	13.2
57.07059	4.4
67.05495	25.9
69.03404	2.0
69.07063	14.9
70.02413	6.3
70.02830	3.0
71.04990	2.7
79.05489	14.3
81.07047	32.5
83.04985	12.6
83.08626	6.2
85.06551	1.7
91.05469	17.5
93.07037	37.4
95.04955	9.8
95.08595	100.0
96.08986	1.6
97.06516	10.4
97.10165	4.1
97.54030	1.5
98.20773	1.9
98.51763	1.8
99.04478	2.6
105.07023	34.1
107.04952	3.3
107.08579	44.7
109.02394	1.7
109.06497	6.0
109.10143	21.9
111.04432	6.1
111.08051	13.3
113.06001	2.2
117.07007	6.3
119.08562	50.8
121.06519	10.0
121.10132	27.7
123.07307	1.8
123.08051	10.5
123.11676	13.9
125.09642	2.5
128.06172	2.0
129.06993	7.2
130.07735	2.0
131.08534	19.8
133.10117	47.1
133.11067	3.5
134.10820	2.3
135.08051	9.9
135.11662	17.0
137.09613	3.5
137.13226	2.7
137.61140	1.8
139.07532	4.9
139.11192	2.2
141.07037	3.0
141.09111	1.7
142.07742	5.1
143.08557	13.4
144.09288	1.7
145.06441	2.5
145.10100	36.9
147.08034	5.8
147.11667	22.6
149.09601	5.6
149.13260	5.5
150.57722	1.6
155.08557	5.3
156.09334	6.0
157.10118	21.5
158.10898	4.6
159.08073	6.2
159.11678	31.4
161.09584	19.4
161.13235	21.4
163.11195	4.7
163.14742	4.0
169.10143	7.9
171.08015	1.7
171.11664	18.3
172.08861	3.4
173.09631	11.0
173.13258	25.5
175.11151	13.3
175.14799	14.4
177.09314	1.6
177.12729	5.2
177.16440	2.9
181.10143	4.6
182.10928	2.6
183.11693	9.1
184.12483	3.0
185.09680	4.6
185.13228	14.7
186.10480	3.0
186.92256	1.8
187.11172	7.1
187.14786	19.4
189.12737	7.7
189.16336	14.2
191.14268	3.9
193.10069	2.1
195.11734	5.1
196.12479	2.4
197.13176	9.4
199.11223	4.7
199.14807	18.1
201.12766	11.0
201.16284	10.4
203.14317	10.3
203.17987	2.9
205.15891	8.9
207.11751	1.9
209.13197	8.3
211.14865	7.8
213.12691	8.5
213.16299	9.7
215.14311	22.9
215.17822	4.1
217.15852	16.9
219.13770	3.2
219.17354	9.3
221.13361	2.0
221.15387	3.8
223.14819	4.9
225.12788	1.9
225.16350	5.7
227.14265	4.6
227.17868	3.1
229.15886	12.5
229.19412	2.8
231.13815	4.0
231.17377	18.4
233.15337	17.8
235.14847	3.2
235.16956	3.7
237.16321	5.1
239.17891	3.7
241.15924	4.2
241.19707	2.4
243.17397	3.4
245.15282	5.5
247.16972	2.4
249.16386	2.5
251.17986	6.6
253.15942	2.8
253.19456	2.5
255.17387	2.4
257.19016	4.2
263.17862	2.0
265.19406	2.8
267.17361	2.0
269.19025	3.6
279.21176	2.1
281.18948	2.0
283.24268	5.1
293.22598	6.0
295.20566	3.2
295.24231	3.1
309.22278	4.8
311.20050	3.6
311.23627	34.5
319.24142	2.6
323.23651	2.7
337.25204	9.6
349.21490	1.7
363.23178	2.0
377.24289	2.2
405.31668	10.2
409.31015	2.4
415.29944	8.6
433.30991	52.0
434.31274	2.7
451.10773	2.9
451.32050	80.6
452.32410	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	451.3201
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03939	6.1
55.01858	5.3
55.05502	12.0
57.07057	4.8
58.02793	3.5
67.05499	44.1
69.03409	5.1
69.07047	13.0
69.89494	10.7
69.89902	10.2
79.05480	23.1
80.50737	4.0
81.07049	47.6
83.04973	17.4
83.08611	5.0
85.06528	5.1
90.77737	3.9
91.05466	31.9
93.07038	59.6
95.04954	9.3
95.08038	6.5
95.08601	100.0
97.10170	5.1
99.07993	3.6
105.07022	49.5
107.08586	50.2
109.06487	14.9
109.10139	45.2
111.08057	8.8
117.06986	23.8
119.08561	46.2
121.06465	5.2
121.10132	40.2
123.08046	16.4
123.11689	17.0
129.07004	8.8
131.08591	20.6
133.10136	34.0
135.08031	40.2
135.11653	25.6
137.09570	14.3
139.07538	4.9
141.06926	4.4
141.09076	11.7
142.07788	6.8
143.08501	18.3
145.10120	33.9
147.11682	16.8
149.09512	5.1
149.13225	22.2
155.08539	10.3
155.10645	4.3
157.10089	30.8
159.07988	4.3
159.11653	43.0
159.12880	6.3
161.09644	13.3
161.13214	20.9
163.11122	9.6
163.14825	8.2
167.08481	5.6
168.09288	4.7
169.10147	17.2
171.11690	25.4
173.09677	3.8
173.13266	17.4
175.11160	10.4
175.14832	6.9
177.12665	19.8
181.10144	6.9
183.11679	13.2
185.13222	13.4
187.11183	8.5
187.14835	6.2
189.12749	8.1
191.14314	11.5
195.11603	6.7
197.13223	11.5
199.11185	4.5
199.14748	7.9
201.12721	16.8
201.16347	5.5
203.14352	25.0
209.13210	7.8
211.14775	9.2
213.12712	6.9
213.16377	9.9
213.35872	3.9
215.14294	7.8
215.17780	4.6
217.15790	7.4
225.16254	4.2
229.15826	6.6
231.17471	6.3
233.06024	3.6
235.17010	9.6
239.18082	4.0
241.15814	4.8
243.17438	20.5
251.17905	8.7
255.17436	11.9
261.18530	4.4
267.17627	5.4
269.18954	11.5
271.20636	4.3
275.20160	7.1
281.18903	4.5
283.20551	6.9
295.20209	4.5
309.22089	9.3
311.23657	10.9
349.96060	4.4
353.24725	4.5
405.31558	6.9
409.27448	7.7
415.29858	7.5
433.31110	42.2
451.31995	61.3
471.69022	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	451.3201
Annotation	Argentatin F
Peak:m/z	Relative Intensity
55.01859	1.7
55.05502	8.9
57.07074	2.7
59.04981	1.5
65.03929	3.7
67.05498	27.3
69.03419	1.8
69.07062	14.9
69.26102	7.1
69.26522	4.4
71.04978	2.0
79.05479	14.5
81.07043	33.9
83.04966	3.6
83.08633	5.7
85.02891	1.4
85.06533	3.2
91.05459	16.2
93.07035	27.9
95.04964	15.2
95.08596	44.3
97.06524	9.1
97.10146	3.0
105.07014	33.3
107.08583	33.3
109.06500	5.7
109.10146	32.1
111.08067	4.0
113.05990	1.3
117.07023	7.7
117.27679	1.1
119.08572	35.1
121.06496	7.1
121.10130	23.1
123.08041	9.9
123.11681	11.7
125.09589	4.2
128.06169	1.8
129.06975	6.3
130.07755	1.4
131.08543	17.8
133.06532	2.1
133.10118	26.8
133.11090	2.3
135.08058	6.9
135.11667	12.9
137.09601	8.8
137.13228	3.0
139.11176	2.4
141.06955	2.4
142.07776	4.6
143.08546	13.4
144.09352	3.3
145.06493	1.1
145.10097	26.5
147.08044	5.7
147.11671	18.2
149.09598	7.1
149.13240	5.7
151.11179	2.0
153.09081	1.5
155.08530	8.4
155.10574	1.4
156.09337	2.8
157.10109	22.3
158.10980	1.6
159.08029	5.1
159.11679	22.4
161.09590	14.1
161.13261	11.6
163.11206	4.8
163.14809	5.4
165.09171	2.2
165.12787	1.4
167.08492	2.5
168.09372	1.4
169.10106	13.5
169.45451	1.1
170.10902	2.5
171.08006	1.9
171.11668	18.4
173.09595	7.7
173.13255	12.9
175.11211	9.0
175.14839	6.8
177.12750	5.6
177.16360	2.2
179.08675	1.7
179.10646	2.7
181.10143	5.8
181.12170	1.1
182.10919	3.1
183.11673	12.9
185.09637	3.0
185.13252	8.7
187.11169	8.1
187.14764	8.7
189.12701	6.6
189.16400	3.9
191.14244	2.2
193.10107	3.3
193.12184	1.3
195.11696	9.2
195.13544	2.1
197.13268	13.4
199.11143	3.3
199.14790	10.5
201.12726	7.5
201.16393	4.1
203.14323	4.0
203.18057	2.1
205.12259	1.9
205.15839	2.1
207.11806	2.9
207.13837	1.7
208.12363	1.7
209.13216	6.6
210.14038	1.9
211.11217	3.6
211.14815	8.6
213.12773	5.2
213.16385	7.9
215.14349	7.4
215.17934	3.3
217.12279	1.4
217.15904	4.4
219.11797	2.2
219.13757	2.8
221.13228	3.0
221.15320	2.1
223.11217	1.4
223.14841	6.6
225.12801	1.5
225.16269	6.3
227.14326	3.5
227.17984	3.7
229.15817	10.4
229.19524	1.8
231.17371	2.1
233.13205	2.2
233.15311	2.1
235.14812	3.7
237.12711	1.6
237.16415	4.6
239.14334	3.5
239.17987	4.3
241.15796	6.6
241.19489	1.9
243.17491	7.0
247.14742	1.8
247.17065	1.7
249.16357	3.6
251.14214	1.7
251.17928	4.0
253.15894	2.7
253.19574	2.8
255.17441	5.1
257.19012	2.9
259.17023	2.2
261.18494	1.5
263.17929	3.1
265.19608	2.7
267.17484	3.3
267.21069	2.0
269.15524	1.5
269.18945	4.6
271.16959	3.3
271.20642	1.7
273.18610	2.3
277.19440	2.8
279.21069	2.4
281.18979	5.0
281.22006	1.4
283.17047	1.9
283.20178	1.5
291.20963	2.1
293.19098	2.0
293.22412	2.1
295.20551	4.8
297.22192	2.5
299.20041	3.0
305.22830	1.7
307.20483	2.8
307.23956	1.2
309.22098	6.0
309.25519	2.0
311.20157	1.6
311.23480	2.9
313.21521	2.4
317.22382	1.4
319.20847	1.8
319.24200	2.7
321.22067	2.9
323.23758	3.4
325.21646	3.5
327.23242	8.4
335.23703	3.2
337.25116	10.5
339.23328	2.1
355.26288	4.1
363.26825	1.5
375.26938	1.7
377.24728	3.6
391.25998	2.8
393.27841	3.2
395.25613	1.6
405.27298	1.4
405.31616	12.3
415.29968	12.8
421.51978	1.1
423.32703	8.8
424.32993	1.3
433.31006	62.7
434.31342	4.6
451.10931	2.3
451.32068	100.0
452.32401	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	451.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.4
55.23224	1.4
57.07059	1.7
59.68493	1.5
67.05496	18.9
68.99348	1.5
69.03403	1.7
69.07058	9.7
69.31258	13.4
79.05481	10.8
81.07047	20.5
83.04970	10.2
83.08606	2.5
91.05451	10.1
93.07040	18.4
95.04961	4.8
95.08595	100.0
97.06514	3.0
105.07021	18.7
107.08582	25.9
109.06485	3.7
109.10151	10.2
111.04426	4.0
111.08073	5.2
117.06977	4.5
119.08561	31.9
121.06500	2.9
121.10126	19.8
123.08060	5.6
123.11684	5.9
129.06984	2.3
131.08543	16.5
133.10117	31.1
135.11671	8.9
137.09567	1.8
138.70563	1.5
139.07542	5.9
141.06918	1.6
142.07767	2.2
143.08553	6.2
145.10115	19.6
147.07996	2.9
147.11678	12.6
149.09566	3.0
149.13295	2.4
155.08495	2.0
156.09340	4.0
157.10095	10.1
158.10887	2.9
159.08067	2.8
159.11685	27.5
161.09644	6.5
161.13214	15.3
163.11237	1.6
163.14854	2.6
169.10085	4.2
171.11641	12.1
173.09605	3.3
173.13249	14.8
175.11163	4.1
175.14801	11.9
177.12660	2.4
177.16309	3.7
183.11659	2.4
185.13239	6.7
186.10373	2.4
187.11139	4.5
187.14801	18.2
189.12773	2.9
189.16315	11.8
197.13222	5.6
199.14830	9.7
201.12712	3.4
201.16408	6.6
203.14294	3.1
205.15924	8.7
211.14839	3.3
213.12741	2.8
213.16350	6.0
215.14294	17.8
217.15860	14.4
219.17482	6.9
225.16252	2.1
227.17978	2.2
229.15790	8.1
231.17409	15.6
233.15344	13.9
235.16992	2.4
239.17900	2.0
243.17363	2.1
247.16901	2.1
255.17531	2.0
257.19205	1.7
268.21637	1.5
283.24335	4.3
293.22528	2.7
309.22122	3.3
311.23700	22.1
323.23746	1.9
337.25226	5.8
405.31433	5.2
415.29724	4.0
433.31244	15.9
433.36832	2.9
451.32001	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3199
Annotation	Argentatin F
Peak:m/z	Relative Intensity
53.03931	2.1
55.01850	2.3
55.05507	11.5
55.69053	1.1
55.74487	1.2
57.03424	1.3
57.07076	1.9
65.03921	2.8
67.05496	27.5
69.03386	1.4
69.07066	16.9
69.45158	11.8
71.04960	2.8
71.49234	1.1
77.19553	1.2
79.05487	16.6
81.07047	31.6
83.04959	4.6
83.08601	7.4
85.06535	2.6
91.05470	18.3
93.07034	30.2
95.04946	9.8
95.08591	46.7
97.06499	8.2
97.10146	2.8
98.20732	2.2
105.07018	36.6
107.08587	31.2
109.06517	6.1
109.10145	27.6
111.08073	3.4
117.07005	9.2
119.08561	42.8
120.18807	1.2
121.06475	8.6
121.10122	28.8
123.08050	8.1
123.11678	9.1
125.09648	3.2
128.06219	3.0
129.06978	8.1
131.08549	23.5
133.06410	1.6
133.10107	25.3
135.08066	7.6
135.11679	12.5
136.87611	1.1
137.09576	7.7
137.13222	2.0
139.11163	2.0
141.06952	2.9
142.07727	5.0
143.08521	16.7
144.09283	2.1
145.06439	2.3
145.10106	32.8
147.08055	7.8
147.11650	18.5
149.09593	8.6
149.13242	6.5
151.11188	2.6
153.09120	1.5
155.08531	8.8
156.09338	3.4
157.10114	22.9
159.08057	6.1
159.11661	26.9
161.09586	14.2
161.13226	14.6
163.11134	5.7
163.14781	6.1
167.08522	4.1
167.10689	1.9
168.09370	1.6
169.10130	11.6
170.10817	2.3
171.08047	3.0
171.11659	16.1
172.12305	2.0
173.09610	9.5
173.13255	17.7
175.11177	8.5
175.14810	7.7
177.09131	2.0
177.12703	4.5
177.16331	2.6
179.14197	1.5
181.10123	5.1
182.10982	1.5
183.11656	12.7
185.09575	4.4
185.13242	11.3
187.11209	7.4
187.14771	10.2
189.11250	1.6
189.12738	6.4
189.16380	5.5
191.10687	2.2
191.14279	5.3
193.10158	2.4
194.10814	2.0
195.11647	7.9
196.12341	2.3
197.09584	2.4
197.13258	10.3
199.11163	6.2
199.14769	12.0
201.12733	11.3
201.16310	6.5
203.10605	2.2
203.14246	6.3
203.17992	2.0
205.12152	2.6
205.15828	3.5
207.11682	2.3
209.13257	7.3
210.13788	1.4
211.11249	2.7
211.14740	10.6
213.12679	5.6
213.16321	9.7
215.14311	10.2
215.17896	2.9
217.15894	7.3
219.13747	2.5
219.17464	1.5
221.13200	3.7
221.15303	2.5
223.14757	5.5
225.12723	3.1
225.16322	9.3
227.14235	4.4
227.17941	3.3
229.12048	1.5
229.15758	9.4
231.17439	5.3
233.13246	2.5
233.15344	2.3
235.14784	3.7
237.16370	3.7
239.14247	2.3
239.17952	2.8
241.15836	6.5
241.19502	2.9
243.13780	1.6
243.17456	7.2
245.18835	1.9
249.16354	3.1
251.17960	6.1
253.15851	3.5
253.19630	3.1
255.17480	4.9
257.18997	3.1
261.18597	2.5
263.17941	2.8
265.19574	2.6
266.29852	1.3
267.17334	3.4
267.21109	2.3
269.18878	4.7
273.18628	1.7
279.17548	1.6
279.20966	3.0
281.18973	5.4
283.20547	2.4
291.21033	2.2
293.19144	2.1
293.22647	4.8
295.20569	4.2
295.23871	1.3
297.22092	2.9
299.20114	2.5
303.21274	1.4
305.22479	1.6
307.20648	3.2
309.22098	8.4
311.23465	6.5
313.21698	2.0
317.18271	1.3
317.22409	1.7
319.24057	2.6
321.22095	1.9
323.23645	3.9
325.21457	2.6
327.23132	7.5
333.22073	1.8
335.23672	3.1
337.25095	8.0
339.23120	3.4
341.24646	2.6
349.25089	1.9
353.24762	2.1
355.26321	3.4
363.22992	1.5
367.26407	2.3
375.26788	1.8
376.31531	1.3
377.24622	4.7
387.30743	1.5
391.25980	2.1
393.27576	3.5
395.25586	2.0
405.31592	14.8
415.29846	12.6
423.32605	8.6
433.30948	69.6
434.31149	4.8
451.10712	2.2
451.31989	100.0
452.32166	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	451.3201
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
51.07183	2.8
53.03928	5.1
55.05495	14.7
57.07056	5.9
59.04981	3.2
59.13543	3.7
65.03928	3.1
67.05502	37.9
69.07058	18.1
71.04989	4.3
71.08618	3.2
71.33220	5.3
79.05479	22.1
80.30138	2.4
81.07047	51.1
83.04971	7.1
83.08609	5.8
89.06021	9.5
91.05462	32.0
93.07030	48.2
95.04948	10.7
95.08594	90.7
96.08955	3.3
97.06516	10.3
102.24985	2.8
105.07011	48.9
107.08591	60.9
109.06507	11.0
109.10145	49.0
111.04389	4.8
111.08080	11.6
113.09608	5.9
117.07027	10.9
117.13271	2.6
119.08572	48.2
121.06480	9.4
121.10123	37.6
123.08073	19.1
123.11687	12.1
125.05981	3.3
125.09601	12.8
128.06274	5.6
129.06993	11.1
131.08551	42.1
133.06497	4.7
133.10120	52.3
135.08061	13.6
135.11676	22.0
137.09639	5.8
137.13251	3.4
139.07559	6.3
141.06981	5.7
141.09102	7.0
142.07788	8.6
143.08537	36.0
144.09302	3.6
145.10101	55.5
147.08012	6.5
147.11652	29.3
149.09634	9.7
149.13278	10.1
151.11183	3.3
155.08543	15.9
155.46283	2.7
156.09306	5.0
157.10123	33.7
158.10918	3.2
159.08035	4.8
159.11662	46.2
161.09616	20.7
161.13249	25.6
163.11201	3.8
163.14827	5.1
165.31079	2.7
167.08549	5.3
168.09402	3.6
169.10060	19.4
171.11668	27.7
173.09659	11.4
173.13231	44.7
175.11195	12.6
175.14815	10.3
177.12822	4.3
177.16322	3.1
181.10103	5.5
182.10912	4.3
183.11649	18.9
185.09570	4.5
185.13237	22.1
187.11209	11.7
187.14816	18.9
189.12746	11.1
189.16406	11.1
191.14378	4.5
193.10144	3.1
195.11760	9.5
197.13182	18.7
199.14798	24.3
201.12720	14.4
201.16353	13.7
203.14333	7.6
203.17992	4.2
207.11795	3.6
207.13814	3.6
209.13251	8.2
210.13947	3.1
211.14847	11.9
213.12726	6.5
213.16397	11.3
215.14270	17.5
215.17958	5.6
217.15836	21.2
223.14824	9.4
225.16389	13.2
227.17894	5.0
229.15979	15.8
231.13885	3.2
231.17491	8.1
233.15335	7.6
235.14896	3.1
237.16383	7.1
239.17960	3.8
241.15775	3.6
241.19591	8.9
243.17438	5.9
245.15422	5.2
245.19034	4.7
247.17043	4.9
249.16159	4.0
253.15648	3.1
253.19588	6.8
255.17455	7.3
257.19003	5.1
266.60266	2.7
267.17636	6.3
269.18942	4.6
271.20694	3.3
277.19516	3.1
283.20572	6.2
293.22620	5.6
297.21970	6.2
309.21902	5.0
311.23669	26.4
313.21622	7.5
352.27798	3.2
365.24838	3.2
403.66074	2.7
405.31543	16.2
415.30008	9.4
421.05640	5.5
433.30969	48.3
449.51053	3.0
451.10599	4.3
451.32034	100.0
453.56284	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	453.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	52.3
65.03921	1.0
66.24149	0.9
69.03463	0.9
71.36440	1.1
71.95283	0.9
72.40844	0.7
74.97601	0.9
83.04964	1.7
84.96023	2.2
85.02892	1.7
89.03902	13.9
90.04220	0.9
91.05496	0.8
95.04940	2.3
97.02894	1.5
98.63648	0.8
98.97565	10.6
105.00270	0.9
107.04914	2.8
111.04462	1.1
112.99173	1.9
116.22031	0.9
116.98625	7.2
117.03363	10.7
118.03693	0.8
119.01883	2.1
119.04881	1.1
121.37345	1.0
123.04367	1.2
124.99123	2.5
128.98598	1.7
131.00143	4.6
131.04927	1.0
132.09106	0.8
134.99623	5.1
135.04391	23.4
136.04758	0.9
139.03918	1.7
141.02229	3.8
143.00133	12.5
145.01724	1.5
145.02763	14.0
146.03305	1.0
146.99666	1.6
147.04382	2.9
149.00214	0.8
149.01143	4.9
151.00679	1.0
156.01546	0.8
157.01567	0.9
158.99611	1.4
159.03284	11.7
161.01196	19.1
163.03880	100.0
164.04227	8.7
167.00232	1.3
169.01698	3.9
170.99704	2.8
171.05026	1.0
173.03027	1.3
173.04781	1.9
174.99146	2.8
175.00717	2.4
175.02705	1.4
177.00752	2.0
177.04372	2.0
179.02257	3.8
185.01163	7.8
186.99216	1.4
187.02759	12.4
187.04340	1.7
189.00751	5.3
189.04286	1.0
191.00229	1.3
191.05911	3.2
193.00174	3.8
193.01726	8.1
203.02228	13.0
203.03996	0.8
205.00209	2.9
205.03764	4.3
207.01743	1.9
209.01199	7.4
210.04330	1.1
211.01031	1.4
211.02779	12.1
211.04669	1.2
213.00673	11.4
215.05875	2.7
218.99706	4.2
219.01715	2.3
221.03227	11.1
221.05093	1.5
225.00768	1.5
227.02222	4.7
229.03845	4.0
231.01738	17.9
233.06926	1.5
237.00661	19.7
237.02747	1.9
249.02773	15.5
255.01726	50.8
257.03317	1.7
265.02170	1.0
267.03894	4.0
271.04245	1.0
273.02759	69.9
274.03088	1.9
278.03302	2.6
287.84589	1.0
291.03799	4.0
291.06979	0.9
293.03717	0.9
296.04486	2.5
305.03299	2.1
309.04666	1.0
311.04196	1.1
315.05103	0.9
323.04340	5.4
331.04520	2.0
333.02841	1.1
335.10052	3.9
341.05643	1.6
347.04358	2.0
349.02090	2.0
349.05902	3.0
353.11151	1.1
365.05463	3.1
367.03271	3.1
367.07339	1.1
375.03726	5.2
377.05948	1.5
383.06393	1.1
393.04813	17.4
395.07278	1.4
411.05969	30.5
412.06143	1.2
413.07635	1.7
416.06262	1.2
429.07001	23.1
430.06500	1.1
434.07166	1.6
453.07001	8.5
453.13354	2.8
471.07889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77299	0.7
53.03947	0.8
55.01853	2.4
55.05495	1.5
56.42482	0.9
65.03886	0.8
67.05480	2.7
68.99795	1.6
69.03419	1.6
69.15460	0.8
69.48202	6.7
79.05485	4.1
81.03408	2.8
81.07054	1.6
83.04996	0.8
83.08603	0.9
85.02867	1.5
89.03906	2.0
89.51914	0.8
91.05461	5.4
93.03371	2.3
93.06998	1.3
95.04928	2.8
95.08585	1.1
97.02884	1.2
100.11239	2.5
103.05446	1.0
105.03349	1.0
105.06994	1.0
107.04937	5.4
107.08573	1.3
111.04464	2.0
115.05448	1.5
117.03342	1.9
118.49911	0.9
119.04934	6.7
121.02880	1.4
121.06509	1.0
123.04414	63.4
123.11663	0.9
124.04775	1.0
127.03857	0.8
131.04916	1.5
131.08534	0.9
133.06512	1.2
133.10091	1.6
135.04413	15.7
137.02327	38.8
137.05934	2.5
137.09583	2.2
139.03922	5.6
143.04893	2.2
145.02820	2.6
147.04396	24.4
151.07607	1.0
153.01768	3.0
153.05450	1.2
161.05975	8.3
163.02505	1.8
163.03889	34.6
165.01817	3.5
165.05479	13.1
171.04347	1.4
173.05940	1.0
177.01831	1.1
177.05457	1.2
179.03400	4.4
179.07001	2.6
183.02849	3.4
185.50194	1.0
187.03873	2.9
189.05467	2.6
191.03377	100.0
192.03772	1.8
203.03401	6.7
203.07085	1.0
205.05045	4.1
207.02808	1.7
207.06502	7.7
213.05299	2.1
217.04953	1.1
221.04483	3.1
229.05023	0.9
233.04424	1.4
241.04938	1.7
243.06514	0.9
243.08754	1.4
247.06027	1.4
253.05003	1.0
253.08539	0.9
259.06000	7.1
268.10678	1.1
271.05966	10.2
273.07440	1.2
285.07581	1.3
299.05536	1.0
301.07056	29.0
302.07159	1.3
313.07001	25.8
317.06528	9.5
317.10022	1.5
325.07007	2.6
343.08112	28.1
393.17599	3.7
411.10681	9.2
435.11023	4.2
453.11765	2.4
453.20538	2.7
453.34192	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	453.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01870	3.0
55.05498	2.7
57.03439	1.1
67.05493	3.5
68.99777	2.6
69.03413	1.7
69.07050	2.0
71.04991	2.8
71.52961	1.6
79.05476	3.6
81.03416	3.2
81.07057	5.7
83.04992	1.6
83.08624	1.6
85.02903	4.7
85.06548	2.2
89.03906	2.7
90.80547	1.0
91.05478	4.6
93.03407	5.0
93.07027	2.2
95.04978	5.0
95.05473	1.1
95.08598	3.4
97.02856	1.3
100.11250	2.9
103.05449	1.1
105.03398	1.6
105.07035	3.1
107.04924	4.7
107.08591	2.1
109.02882	2.0
109.06557	1.2
109.10176	1.7
111.04436	2.0
115.05442	2.5
117.03364	2.7
119.04935	7.0
119.08574	2.1
121.02843	1.4
121.10127	2.0
123.04419	61.6
123.11713	1.4
127.03906	2.1
128.98633	1.0
131.04916	2.0
131.08542	1.4
133.10078	2.0
135.04407	14.2
135.08112	1.4
137.02328	44.4
137.03386	2.6
137.05968	3.6
139.03932	6.4
141.58028	0.9
143.04927	2.7
143.08565	1.0
145.02786	3.1
145.10069	1.5
147.04393	22.6
149.05951	1.7
149.09683	1.1
151.04001	1.7
151.07475	1.5
153.01729	1.5
161.05959	9.1
163.03896	34.5
163.05225	2.1
165.01764	2.3
165.05460	11.9
165.09071	2.1
171.04375	1.5
175.03853	1.1
175.07535	1.0
177.05421	1.6
179.03391	4.7
179.07019	3.8
183.02910	2.5
187.03886	2.1
189.05457	2.9
191.03380	100.0
192.03671	1.5
199.03856	2.2
203.03299	6.3
205.04997	3.6
207.02895	2.8
207.06479	7.4
210.14929	1.7
213.05573	2.0
221.04472	3.4
233.04428	1.7
241.04921	1.5
259.05936	9.0
271.06039	3.7
289.07086	1.5
291.15686	1.9
301.07019	36.9
313.07101	16.6
317.06638	6.1
325.07022	1.6
343.08105	42.1
361.02170	2.3
379.03802	1.3
411.10779	9.9
429.90796	1.1
435.10635	3.9
453.11740	2.7
453.20682	4.1
453.34421	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	453.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01843	4.6
55.05486	9.6
56.05005	6.6
56.96547	2.7
57.03422	2.6
58.06592	4.2
59.06115	12.0
60.04494	8.8
65.03927	13.1
67.05499	14.3
69.03429	10.5
69.88133	7.1
69.88564	6.1
70.06554	2.5
72.38982	2.1
74.06045	2.6
79.05457	3.3
81.03401	3.3
83.04971	45.1
83.06076	11.6
84.04494	27.5
85.02905	10.5
85.04006	4.1
91.05452	6.8
91.28940	2.2
91.82384	2.1
93.03386	14.0
93.07035	2.2
95.04938	13.8
95.08569	2.2
96.04484	2.9
98.06026	1.9
99.05563	4.8
100.03951	7.1
100.06359	2.2
100.11220	8.8
101.04740	2.9
101.07161	2.5
102.05502	3.8
103.05403	4.0
104.05003	2.2
107.04921	6.1
108.08101	2.4
109.02804	3.5
111.04418	48.0
115.03880	2.8
115.05415	3.6
117.06923	2.4
118.06506	7.2
119.04903	9.7
120.08092	2.4
121.02844	6.2
122.06028	2.8
123.04416	20.4
126.05523	2.8
127.03853	2.9
128.04916	2.2
129.05453	16.8
130.06509	4.2
131.04869	8.3
132.04448	2.5
132.08116	3.2
133.02831	5.4
134.03604	2.8
134.05959	7.3
135.04411	14.8
136.07527	8.1
137.02319	4.8
137.05928	3.8
138.05490	2.7
139.03885	24.6
143.04880	2.5
144.08006	5.2
145.02789	3.3
145.06464	3.6
145.07506	2.3
146.05980	19.5
147.04375	15.8
147.06677	4.4
148.03857	5.8
148.05040	3.2
148.07533	9.4
149.02307	2.3
149.05952	7.2
150.03094	2.8
150.05443	5.5
151.03847	4.6
152.07051	4.5
155.03325	2.1
156.04361	2.7
157.04921	11.6
158.06009	3.6
159.04390	5.2
160.07520	9.6
161.02336	2.6
161.05901	6.6
162.03108	2.1
162.05455	30.4
163.03893	33.7
163.06206	8.3
164.07043	36.5
165.05444	4.5
165.07782	5.0
170.06020	7.2
172.03854	5.4
172.07579	5.1
173.05905	5.9
174.05473	18.9
175.03905	10.2
175.06166	18.7
175.08635	2.8
176.07042	27.9
177.05380	8.5
177.07779	5.9
178.02495	3.7
178.04939	9.6
178.08557	6.1
179.03378	7.1
180.06561	3.8
184.03897	2.7
186.05431	4.4
187.08643	9.7
188.07066	18.0
189.05322	3.7
189.10307	2.6
190.04988	4.5
190.08562	7.0
191.03404	5.0
191.08110	8.5
192.06497	11.2
193.04887	3.5
193.07278	3.1
194.08075	4.1
198.05455	7.8
199.03749	2.6
199.08597	3.0
200.07062	5.5
201.06683	5.0
202.04982	32.7
203.03494	4.3
203.05688	16.6
203.08089	7.7
204.06494	6.3
204.08810	6.0
205.09689	6.2
206.08099	4.9
215.08134	19.8
216.06602	22.0
216.08517	4.4
217.06003	3.2
217.09702	13.5
218.04460	10.1
218.08139	4.4
219.07661	13.6
220.05991	20.8
221.04712	2.5
221.06729	11.1
222.07468	2.3
225.06493	3.9
226.04973	6.7
227.11810	2.3
227.17441	9.1
233.09166	20.9
234.07541	5.8
234.09746	3.4
235.10777	4.8
237.00739	2.8
237.08739	2.9
243.07632	34.5
244.06012	9.1
255.01755	3.5
261.08673	57.0
262.06952	12.7
273.02704	9.7
276.10620	2.5
279.09720	42.4
394.11288	3.6
395.12088	4.0
399.16281	2.3
399.61499	2.4
407.14319	16.5
408.12762	3.3
409.11816	2.6
411.14304	2.9
413.13116	3.6
426.13803	7.0
435.13950	33.4
436.12204	5.0
453.14874	100.0
454.14999	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	453.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.8
55.05505	16.0
65.03932	3.9
67.05495	47.7
69.03417	5.5
69.06722	3.0
69.07059	21.6
71.04971	3.6
71.54045	6.7
73.94484	3.1
79.05477	25.9
81.03400	4.0
81.07044	56.5
83.04949	12.5
83.08614	4.2
91.05482	24.7
93.07038	56.1
95.04952	10.9
95.08598	100.0
97.06494	6.8
100.11193	4.1
105.07029	43.0
107.08585	52.5
109.06520	10.1
109.10165	19.3
110.49586	3.6
111.04408	8.2
111.08057	11.0
117.07012	8.6
119.08580	38.5
121.06476	8.6
121.10143	32.0
121.96302	2.9
123.08049	18.3
123.11684	22.3
125.09634	4.3
128.06247	3.5
129.07022	6.6
130.07750	5.8
131.08554	21.8
133.10121	31.8
135.08020	6.7
135.11694	11.4
137.05936	3.7
137.09625	6.4
137.13191	3.1
139.07567	5.4
141.09027	4.4
142.07739	5.9
143.08571	21.2
144.09314	6.8
145.06493	5.9
145.10120	36.3
147.08034	7.4
147.11685	14.9
155.08551	16.4
156.09332	11.9
157.10088	34.1
158.10890	4.0
159.08034	7.6
159.11685	32.9
161.09531	8.7
161.13280	11.7
163.11182	8.9
163.14931	3.4
165.07071	3.8
167.08478	8.8
168.09402	3.7
169.10144	17.8
170.10791	4.9
171.08031	5.6
171.11713	22.6
173.09613	5.6
173.13228	26.5
175.11185	3.8
175.14728	6.7
179.08525	5.1
181.10030	8.5
182.10838	7.2
183.11710	20.8
185.09654	4.0
185.13290	16.3
187.11169	10.3
187.14806	12.9
189.12770	7.5
189.16367	4.2
193.10085	6.7
195.11700	15.2
196.12469	6.6
197.13217	15.9
199.11133	3.6
199.14801	8.1
201.12709	14.1
203.14252	7.7
206.10751	3.4
207.11832	8.0
209.13199	13.7
211.14839	18.6
213.12746	7.2
215.14294	11.2
219.13741	6.2
221.13205	8.5
222.60872	3.2
223.14798	9.6
225.16339	9.5
227.14355	5.1
227.17761	3.8
233.13109	4.7
233.15269	7.6
235.14742	12.2
237.16406	8.6
239.14301	9.4
239.17798	5.4
241.15756	4.7
249.16319	6.2
251.17963	18.8
252.18762	3.8
253.15875	4.7
253.19460	6.3
265.19357	5.2
267.21118	9.3
269.15234	3.3
271.03275	3.1
277.19446	6.4
279.17474	7.1
285.18454	4.0
294.19666	7.7
295.20523	10.7
312.20749	4.7
313.18073	7.1
313.21472	5.0
315.22528	3.4
325.21576	4.1
331.19034	6.2
343.22644	33.2
389.28397	4.6
391.26160	9.8
393.27969	4.3
407.29282	14.9
417.27988	23.3
435.23184	6.4
435.28906	96.3
436.29166	6.0
453.29926	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	453.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.6
67.05495	27.3
69.07059	7.2
70.15439	7.2
70.15848	10.3
71.05011	3.5
79.05505	15.2
81.07040	24.7
81.07428	2.7
83.08623	3.5
85.20121	3.4
91.04977	3.6
91.05447	20.6
93.07041	29.8
95.04979	9.5
95.08595	54.9
97.06532	7.3
102.36662	2.9
105.07010	31.4
107.08579	25.7
108.05709	3.4
109.06548	5.0
109.10155	24.3
111.04452	3.4
111.08084	13.0
114.04443	3.8
117.07027	14.0
119.08562	29.1
121.06502	8.2
121.10123	23.6
123.08073	18.8
123.11718	12.7
125.09643	3.0
129.06998	19.0
131.08530	23.7
133.06572	3.1
133.10109	20.4
135.08067	10.1
135.11714	12.2
139.07536	3.5
141.06982	5.0
141.09131	5.8
143.08548	23.9
145.06535	11.3
145.10098	100.0
147.08051	7.4
147.11699	9.1
149.09621	9.9
149.13264	4.4
149.33659	3.7
155.08574	14.5
156.09377	6.6
157.10106	16.3
159.08012	22.5
159.11659	31.6
161.09595	25.7
161.13243	11.2
163.11217	6.3
163.14912	4.1
167.08525	3.8
169.10120	16.3
171.08044	6.0
171.11708	12.7
173.09680	8.4
173.13310	8.5
175.11137	19.4
181.10136	9.3
183.07994	3.9
183.11743	12.7
185.09662	9.9
185.13260	10.5
187.11151	75.7
187.14795	8.2
189.12781	20.2
189.16411	4.0
193.10139	7.8
193.12169	3.2
195.07886	3.9
195.11746	7.0
195.78564	3.6
197.09619	8.0
197.13274	9.8
199.11200	7.8
199.14745	4.5
201.12717	65.7
201.14420	4.1
203.14272	3.2
205.12167	40.7
207.11725	11.1
209.09624	6.9
209.13283	10.9
211.11166	6.4
211.14856	11.2
213.12790	7.4
215.14291	11.1
216.13139	3.5
217.12410	4.1
217.15895	9.8
219.11789	4.5
219.13795	7.3
221.13333	5.9
223.11214	5.5
223.14778	7.7
225.12737	5.0
229.15903	13.5
231.13896	5.1
233.13345	6.4
235.14911	7.1
235.17053	12.2
237.16393	5.2
239.14340	8.5
243.17435	23.3
245.15414	5.3
249.12782	7.0
249.16451	5.8
251.14287	6.9
253.15933	9.9
257.15430	10.5
263.17999	5.6
265.15945	5.9
271.16998	8.1
277.19501	12.6
279.17554	5.2
285.18579	5.1
291.17447	5.5
293.19098	9.0
295.20474	8.2
311.20135	6.1
319.20554	4.9
321.22089	10.1
339.23267	4.7
357.21890	4.3
375.23346	10.7
389.28497	10.4
393.24399	7.4
399.26819	13.3
407.29517	7.5
417.27737	44.7
434.08765	3.7
435.28888	35.8
453.29489	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	453.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
55.05496	6.4
56.35771	2.2
57.03418	2.5
66.61005	2.4
66.83245	2.9
67.05495	16.6
69.03402	3.3
69.07045	7.6
69.22144	30.8
75.41081	2.7
79.05472	10.5
81.07052	15.8
83.04941	8.7
83.08603	2.9
89.05751	2.8
91.05442	10.4
93.07036	19.7
95.04962	3.5
95.08585	29.9
97.06491	4.3
105.07038	16.0
107.08585	36.0
109.06472	5.1
109.10141	22.9
111.08060	5.0
119.08580	21.1
121.06496	3.9
121.10122	11.2
123.08064	3.9
123.11655	4.6
125.09611	4.3
126.00995	2.8
129.06960	5.3
131.08533	11.0
133.10106	14.0
135.08044	4.6
135.11650	6.4
137.09644	2.8
141.06967	4.1
143.08493	10.6
145.10056	15.6
147.08041	2.6
147.11655	9.4
155.08553	4.8
156.09341	3.5
157.10109	13.4
159.11679	16.7
159.12807	2.7
161.09641	2.8
161.13113	3.6
163.11092	3.2
169.10091	9.0
171.11674	5.9
173.09613	6.2
173.13177	8.0
175.11169	4.1
177.12679	3.5
181.10104	4.3
183.08025	3.7
183.11655	5.4
185.09592	3.9
185.13237	6.6
187.11142	6.4
189.12712	8.5
193.31165	2.8
195.11693	4.9
197.09549	4.7
197.13200	9.2
199.14734	5.0
200.11861	2.5
201.12675	4.4
201.16296	5.7
207.11613	3.2
209.13176	4.8
211.14806	6.8
213.12746	4.6
213.16249	3.7
215.14302	6.2
225.16295	3.8
227.14218	5.5
229.15858	7.8
237.12704	4.1
237.16264	3.1
239.14311	12.6
241.15729	3.3
247.16855	6.9
251.14204	3.3
253.15843	9.1
255.17416	6.0
267.17328	3.9
269.19016	5.3
279.17535	6.4
293.18863	11.4
294.19766	3.3
295.20465	17.5
307.20538	3.9
312.20743	4.1
321.21945	5.6
389.28177	5.0
417.27661	11.9
435.28830	29.5
453.29797	100.0
454.30511	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	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	1.2
55.05522	7.6
56.52167	1.1
57.07052	4.4
57.62764	1.2
59.04996	5.8
67.05493	13.8
69.07057	10.3
69.96165	6.9
79.05479	11.4
81.07044	20.0
83.08598	4.3
84.13638	1.3
86.94926	1.2
89.06003	5.1
91.04954	1.8
91.05467	19.8
93.07030	34.4
95.04967	3.3
95.08598	27.5
97.10125	2.2
100.11224	2.6
105.07016	35.8
107.07847	2.5
107.08578	52.0
108.08912	1.5
109.06486	3.1
109.10144	15.9
111.08084	1.2
111.13853	1.2
117.06998	3.7
119.08566	36.1
121.10129	34.9
123.08066	2.9
123.11701	16.9
129.06999	3.1
131.08542	11.8
133.08632	1.4
133.10115	32.1
135.08055	2.5
135.11676	100.0
136.11993	3.9
137.09598	2.9
137.13228	3.8
139.11147	1.9
142.07729	3.6
143.08546	7.6
144.09340	1.9
145.10114	15.2
146.10773	1.2
147.11670	23.6
149.09596	2.0
149.13260	11.3
151.11115	3.1
155.08566	2.7
156.09404	2.1
157.10114	12.5
158.10785	1.8
159.11661	15.9
161.09610	1.8
161.13217	12.2
163.11136	2.5
163.14801	1.7
169.10114	3.4
170.10899	2.6
171.11642	8.0
173.13251	7.5
175.11182	2.6
175.14821	15.3
176.15227	1.2
177.12718	1.3
177.16367	7.3
183.11765	2.7
185.13272	6.4
187.14734	7.4
189.16367	16.2
193.15889	3.0
195.11684	1.7
197.13214	7.2
199.14815	18.0
200.15230	2.3
201.16365	8.4
203.18015	2.0
205.15897	1.7
209.13109	1.4
209.16360	1.5
211.14777	4.1
213.16338	4.2
215.14386	1.4
215.18048	1.6
217.15891	6.0
221.13226	1.9
223.14796	1.5
226.13982	1.3
227.17789	2.4
237.16481	1.6
239.14737	3.4
239.17841	2.5
240.15251	1.9
241.15848	1.4
241.19406	1.5
243.21169	1.9
253.19539	1.4
255.21223	1.6
257.22623	1.9
267.21140	3.9
271.20444	1.5
285.22220	2.5
287.20090	8.1
301.21796	1.6
303.23083	5.3
327.23032	2.7
379.33359	1.6
389.32239	2.4
399.30447	1.4
407.32993	7.4
417.31433	10.1
425.28781	2.6
425.34094	30.5
426.34290	3.1
435.32608	28.1
453.33588	68.6
454.34064	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.39377	1.8
53.03942	2.3
55.05503	29.4
57.07053	3.7
57.86208	2.1
67.05502	10.5
67.55414	2.2
69.07046	9.1
79.05483	6.5
81.07047	24.2
82.06563	7.2
83.04966	3.7
83.08606	22.2
85.06546	2.8
91.05487	10.1
93.07026	27.1
95.04936	2.2
95.08601	20.0
98.20780	5.3
100.07590	5.3
100.10580	4.6
100.11246	95.8
101.11578	2.3
105.07007	15.3
107.08581	35.7
109.10143	21.0
111.04431	8.7
112.07619	3.7
115.70379	2.4
117.07041	2.8
119.08562	17.8
121.10123	23.7
123.08035	4.1
123.11687	9.6
126.09152	3.5
128.07085	7.7
131.08577	5.7
133.10110	18.6
135.11688	13.7
137.13264	4.5
139.08611	3.8
140.07010	2.6
145.10075	12.3
147.11658	9.8
149.09554	2.9
149.13239	11.5
151.11172	2.7
157.10155	8.0
159.11681	9.5
161.13242	7.8
163.14861	5.5
171.11739	3.5
173.13196	6.9
175.11317	2.7
175.14769	3.0
177.16434	3.0
181.10071	3.0
182.15381	26.2
187.14758	7.2
189.16411	4.4
191.14293	2.2
197.13222	2.4
199.14828	3.2
201.16353	7.8
203.17917	2.5
209.16481	17.3
210.14941	16.8
226.19144	7.1
227.17650	3.8
326.27954	3.5
348.07867	2.0
395.72638	2.4
407.32913	2.6
435.32941	24.8
453.34000	100.0
454.34378	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	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05497	12.7
67.05488	26.2
69.07066	14.1
71.03699	7.7
71.04066	4.8
79.05491	18.7
81.07053	48.6
83.08607	8.7
86.93571	3.3
91.05467	18.0
93.07043	44.5
95.04956	10.0
95.08595	90.9
97.06533	6.8
97.10139	8.3
105.07021	39.1
107.08578	67.4
109.06493	5.7
109.10136	54.7
111.08056	8.0
117.06992	4.3
119.08554	60.0
121.06514	3.9
121.10132	58.4
123.08051	18.3
123.11701	20.5
125.09646	10.9
129.07036	5.7
131.08565	15.7
133.10103	48.2
135.08063	6.2
135.11676	31.9
137.09612	14.8
137.13223	4.6
141.06903	4.0
141.09116	9.4
143.08591	10.4
145.10100	27.4
147.07970	4.3
147.11674	33.7
149.09639	4.0
149.13210	19.2
151.11163	8.7
155.08614	3.7
155.10619	6.6
157.10129	16.7
159.11664	43.8
161.09552	9.3
161.13225	26.1
163.11098	6.1
163.14839	10.4
165.12758	6.2
171.11703	16.9
173.13272	20.8
175.11159	7.7
175.14777	20.3
177.12816	9.9
177.16408	7.8
183.11711	10.0
185.13245	18.9
187.14789	19.2
189.12755	5.2
189.16377	13.4
195.13718	3.5
197.13290	6.5
199.10965	3.7
199.14857	13.0
201.12770	3.9
201.16405	11.1
203.14343	8.9
203.17857	5.8
205.15884	7.5
207.13757	3.7
211.14821	8.6
213.16431	13.4
215.14313	7.1
217.15793	6.1
219.17506	4.3
221.15398	11.5
225.16324	4.7
227.17952	8.1
231.17484	10.8
233.15263	4.5
235.16864	6.9
239.17854	5.5
241.19487	3.8
243.17447	4.7
245.18970	24.0
247.16890	6.3
248.11902	3.6
253.19505	4.9
257.19046	11.4
271.20425	8.0
295.92786	3.4
296.71765	4.6
299.23615	4.3
309.22067	4.6
311.23743	6.1
315.23151	15.2
325.25067	4.0
329.24615	6.8
407.33017	13.6
411.10648	3.9
417.31488	12.4
435.32602	73.0
436.32663	5.5
453.33771	100.0
454.33621	9.5
455.27032	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	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.23802	1.2
52.05557	1.2
53.03924	3.4
55.05495	14.8
57.07059	4.4
65.03919	1.7
65.71817	1.3
67.05488	26.8
69.03413	2.1
69.07053	16.6
69.74734	4.4
69.75162	4.4
71.04983	2.2
79.05476	16.7
81.07040	47.1
82.07386	1.6
83.04963	2.5
83.08601	13.4
85.06538	1.8
89.05994	1.9
91.05455	14.8
93.07023	37.8
95.04945	7.8
95.08583	56.1
96.08927	1.4
96.57108	1.2
97.02776	1.3
97.06490	6.9
97.10160	4.7
99.04446	4.2
100.11237	20.6
100.14066	1.2
101.06013	1.3
104.01844	1.4
105.06293	1.4
105.06503	0.8
105.07014	41.2
107.08569	61.0
108.08905	1.5
109.06493	6.6
109.10134	34.7
111.04385	2.0
111.08071	3.9
113.06010	2.0
117.06994	6.7
119.08560	54.1
121.06503	5.9
121.10118	49.0
123.08038	11.1
123.11681	17.3
125.09589	9.2
128.07062	2.5
129.07010	2.7
131.08513	14.6
133.10106	60.3
134.10423	1.7
135.08046	9.2
135.11668	23.7
137.09602	3.7
137.13248	6.9
139.11163	2.3
141.06973	2.4
141.09033	1.6
142.07722	2.2
143.08545	7.6
145.10091	29.5
147.08061	3.7
147.11656	29.1
149.09572	7.8
149.13219	14.2
151.11189	4.2
153.09036	3.0
153.62048	1.4
155.08514	4.6
156.09360	3.1
157.10094	18.3
158.10811	1.6
159.08005	3.0
159.11659	28.6
160.12193	1.4
161.09569	12.1
161.13226	24.1
163.11115	7.5
163.14813	5.3
165.09085	2.2
165.12785	1.5
167.10641	3.3
169.10081	6.6
171.11678	15.1
173.09647	6.2
173.13222	18.6
175.11150	9.8
175.14825	16.3
177.12770	3.8
177.16423	6.2
179.10657	2.9
181.10155	2.3
181.12236	3.9
182.15366	4.6
183.11703	4.5
185.09604	2.0
185.13237	8.3
187.11279	3.6
187.14787	16.4
189.12762	5.2
189.16362	12.1
191.10797	1.5
191.14265	2.6
195.11902	1.5
195.13876	3.9
197.13177	9.6
199.11093	1.6
199.14774	12.5
201.12593	3.3
201.16339	13.2
203.14230	7.3
203.17883	7.2
205.15837	7.9
207.13846	3.0
209.13284	3.2
209.16469	4.3
210.14908	7.4
211.14833	5.5
213.12697	2.3
213.16341	13.0
215.14314	5.2
215.17911	4.7
217.15787	11.7
219.13782	1.5
219.17430	4.7
221.13322	1.4
221.15334	5.7
223.14920	2.1
223.17021	2.2
225.16322	3.2
226.19017	2.0
227.14403	1.8
227.17915	3.7
229.15799	6.6
229.19495	1.5
231.17363	10.6
233.15378	3.6
235.16907	6.3
237.16191	1.6
239.17828	2.7
239.70401	1.5
241.15958	1.5
241.19356	2.3
243.17409	2.9
245.18935	1.7
247.16910	3.0
249.18512	2.7
253.19388	2.9
255.17322	2.1
255.21141	2.2
257.19135	2.8
267.21051	1.7
269.19165	2.7
271.20535	2.5
273.22220	2.1
307.24048	1.6
309.21979	2.2
311.23596	5.1
313.21683	2.0
325.25162	2.5
326.27609	1.4
329.24655	9.3
337.25122	2.5
339.27011	3.1
355.26410	1.7
357.28397	1.8
389.32156	2.7
395.29749	2.1
407.33090	13.1
417.31448	11.8
425.34055	3.9
435.32605	49.1
436.32996	4.4
453.33731	100.0
454.33936	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.10229	2.0
55.05501	22.0
57.07064	6.2
67.05492	31.0
69.03407	3.6
69.07064	19.8
71.04948	3.0
74.44405	1.9
79.05469	20.2
81.07046	53.3
83.04939	3.7
83.08616	11.9
85.03651	2.0
91.05453	18.8
93.07027	55.2
95.04992	11.4
95.08592	81.8
97.06528	7.3
97.10152	6.6
99.08130	2.8
100.11236	7.3
102.94733	2.0
105.07014	45.5
107.08575	70.4
109.06493	7.2
109.10140	63.6
111.08053	8.5
111.11715	2.4
113.05953	5.5
117.07008	6.2
119.08562	59.3
121.06491	6.7
121.10129	55.1
123.08070	15.2
123.11693	20.5
125.09603	10.7
125.34652	2.0
129.06972	5.8
130.07732	2.3
131.08540	18.3
133.06421	2.3
133.10110	45.5
134.10649	2.0
135.08018	8.1
135.11664	28.0
137.09579	12.7
137.13307	5.4
139.07515	3.9
139.11197	3.2
141.09081	6.8
142.07724	3.9
142.87198	2.0
143.08539	12.6
144.09187	2.3
145.10115	26.6
147.08038	4.2
147.11670	34.5
149.09599	9.3
149.13243	13.8
151.11197	4.5
151.14821	2.8
153.09100	4.2
155.08586	2.8
155.10663	7.1
156.09171	3.1
157.10117	20.5
158.10880	3.8
158.66942	2.3
159.08070	2.4
159.11665	38.5
161.09604	8.5
161.13257	23.7
163.11130	8.7
163.14777	10.3
165.09169	3.4
165.12787	5.5
169.10190	10.0
171.11630	13.9
173.09666	3.1
173.13229	27.9
175.11169	10.1
175.14799	18.3
177.12726	10.8
177.16336	4.6
182.10960	2.6
182.15379	2.6
183.11638	12.0
183.54274	2.2
185.13203	17.0
187.11162	3.5
187.14796	21.4
188.15495	2.2
189.12737	9.0
189.16412	11.7
191.14279	4.4
195.11681	3.7
195.13786	3.6
197.13240	11.2
199.14783	15.8
201.12776	5.1
201.16316	15.2
203.14311	9.3
203.17972	6.2
205.15897	4.0
209.13297	4.3
209.15306	4.4
211.14790	8.2
212.66217	2.8
213.16371	12.5
215.14317	6.2
215.17999	6.0
217.15886	9.8
217.19501	3.4
219.17378	3.1
221.15428	6.8
223.14798	2.6
225.16516	6.2
227.17932	9.4
229.15889	7.4
229.19476	2.9
231.17462	9.8
233.15256	3.3
235.16916	5.9
239.17894	4.6
241.19389	3.0
243.17418	7.1
243.21191	3.2
245.18967	18.3
247.16869	4.3
253.19586	6.9
257.18982	11.1
267.21143	2.6
269.19141	2.8
271.20599	8.6
285.22171	5.0
293.22446	2.8
294.23532	2.8
297.22092	4.3
299.23645	7.6
309.22275	3.1
311.23618	5.2
313.25290	7.3
315.22983	3.8
327.23224	3.4
329.24783	5.8
339.26871	2.9
379.26172	3.2
393.27829	3.0
394.27405	2.3
395.29218	2.6
407.33087	12.9
417.31323	13.0
425.34082	5.3
435.32574	73.0
436.32831	5.9
453.33722	100.0
454.33893	8.4
460.77988	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	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05503	11.4
57.07082	4.8
59.04993	5.4
65.03931	2.9
67.05496	18.9
69.07053	10.9
70.70373	8.1
70.70737	2.8
71.04988	7.4
77.53867	2.4
79.05482	12.1
81.07049	37.4
83.04919	2.9
83.08617	4.0
91.05471	21.4
93.07038	43.5
95.04939	3.8
95.08588	46.8
96.08926	2.4
96.41549	2.5
105.07014	54.8
107.08583	46.5
109.06542	3.2
109.10139	33.3
111.08082	5.4
113.06011	4.1
117.07006	14.8
119.08559	46.9
121.06429	3.6
121.10123	32.8
123.08047	6.4
123.11686	9.8
125.09571	5.4
129.06966	2.9
130.07751	3.7
131.08569	30.3
133.10115	100.0
135.08061	4.7
135.11661	23.2
141.07185	2.5
143.08530	9.8
144.09343	4.6
145.10091	46.0
147.11652	37.8
149.13199	7.8
155.08510	3.0
156.09351	4.1
157.10121	18.8
159.11678	86.3
161.13226	27.8
163.11122	3.9
163.14835	7.0
169.10118	6.4
170.10922	3.1
171.11655	12.8
173.13235	23.7
175.11169	4.7
175.14731	15.6
177.16364	5.6
183.11719	3.5
185.13315	13.3
187.11147	3.5
187.14798	34.1
189.16371	13.3
191.14349	4.9
191.17885	3.6
197.13165	6.1
199.14813	11.1
201.16389	22.4
203.17915	10.8
205.15814	3.5
213.16371	8.5
215.14305	5.6
215.17986	5.2
217.15781	5.3
219.13840	4.4
219.17383	10.2
227.17960	6.4
229.15947	4.4
229.19337	3.3
231.13686	6.0
231.17442	4.6
233.15327	39.1
233.18916	3.3
234.15720	3.2
245.15401	3.4
245.19025	5.3
247.16962	9.6
253.19281	3.7
256.43082	3.1
327.23257	6.3
339.26797	3.3
353.28571	3.3
354.29269	2.8
367.26352	4.5
407.33115	9.3
417.31317	4.0
435.32471	44.2
453.33566	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.77194	2.6
55.05500	18.5
57.07056	10.1
59.04998	16.2
67.05497	33.9
69.03414	4.4
69.07052	15.6
71.08595	4.3
79.05484	25.7
81.07040	47.5
83.04949	7.0
83.08598	11.0
85.06525	3.7
91.05473	40.2
93.07030	57.8
95.04957	7.5
95.08029	6.0
95.08588	70.1
97.06525	7.1
97.10131	4.1
98.20744	10.3
100.11243	8.2
105.07017	86.2
107.07871	3.0
107.08583	62.4
109.06481	6.8
109.10143	37.7
111.08048	4.6
113.05980	3.4
115.02086	3.0
117.07014	15.2
119.08572	80.9
121.06508	3.6
121.10125	71.9
123.08025	7.4
123.11654	17.1
129.06979	5.8
131.08569	27.9
133.10112	100.0
135.08057	3.9
135.11681	48.7
136.81853	3.0
137.09583	5.0
141.21931	3.5
142.07768	6.6
143.08562	18.5
145.10088	50.4
147.11664	56.0
149.13211	16.3
155.08495	3.9
156.09283	6.2
157.10091	24.6
159.11664	44.3
161.13223	69.2
163.11171	5.4
163.14783	4.3
169.10063	10.4
171.11653	13.8
173.09653	8.0
173.13232	32.4
174.13992	7.1
175.11188	3.1
175.14830	30.1
177.12720	5.5
177.16376	5.4
181.10063	5.8
183.11644	11.0
184.12372	3.1
185.13245	13.3
187.14795	16.8
189.12622	6.1
189.16333	9.1
191.14302	6.5
195.11745	3.5
197.13188	13.8
199.11136	3.4
199.14793	26.4
201.12752	3.2
201.16370	27.5
203.14255	3.9
203.17897	7.6
209.13194	5.5
211.14798	12.0
213.16400	11.5
215.14299	5.0
215.18062	5.3
217.15802	10.2
219.13756	5.1
219.17436	25.6
221.13220	4.8
223.14923	5.0
225.16301	5.2
227.17903	4.5
229.15846	3.7
231.17303	4.0
233.15359	3.6
235.14838	3.5
237.16380	4.9
241.19502	6.8
243.17334	5.0
251.17836	3.6
253.19576	4.8
255.17369	6.0
255.21010	8.6
267.21091	7.6
286.80487	3.6
295.20670	5.2
313.21454	8.8
325.25037	3.6
389.31946	9.5
399.30243	9.0
407.33011	7.4
417.31427	50.1
418.31732	3.8
435.32553	69.5
436.32892	5.7
453.33844	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.74250	0.9
55.05501	3.3
57.03425	3.3
57.07072	20.2
57.29694	0.8
62.05782	1.4
62.06083	24.9
62.06404	1.2
67.05505	5.2
69.07058	3.7
71.08622	14.9
71.42706	1.4
77.68732	0.7
81.07056	8.0
83.08616	5.1
85.10169	8.3
95.08604	9.4
97.10135	2.2
98.98438	6.1
99.11752	1.2
109.10155	3.2
118.97147	0.8
131.70776	0.9
135.11720	1.0
142.02609	1.5
147.22386	1.0
155.01022	6.0
198.05295	1.4
216.06343	2.7
239.23723	2.4
255.89229	1.1
282.27872	11.7
313.27325	100.0
314.27628	4.1
393.23962	5.8
436.27963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.05510	5.0
56.05036	5.6
58.06593	6.0
59.06112	17.2
60.04517	17.2
65.03928	9.6
65.33620	4.7
67.05492	15.2
69.03424	6.6
70.06553	8.5
71.54502	8.7
76.47632	5.5
83.04977	44.0
83.06092	18.6
84.04505	32.9
85.02890	11.1
85.07656	39.1
86.08449	9.2
93.03394	18.3
93.07045	5.8
95.04958	14.3
100.03952	7.0
101.07154	17.1
104.23516	5.2
107.04957	7.9
110.06065	8.1
111.04421	44.8
119.04966	7.1
120.08085	6.5
121.02821	7.5
121.51859	5.2
122.06010	5.7
123.04448	19.1
129.05490	9.5
131.04936	14.5
132.04366	8.8
133.02878	10.9
134.05997	7.7
135.04414	17.2
138.05489	5.7
139.03873	26.3
144.87286	5.4
145.02838	9.9
145.06444	6.4
146.05989	15.8
147.04391	15.6
148.07538	12.6
149.05940	12.6
150.05527	14.9
152.07069	7.6
157.04984	12.5
158.05959	9.6
159.04440	11.9
160.07494	9.6
161.05968	15.1
162.05533	29.3
163.03877	49.4
164.07069	18.4
165.05482	6.6
166.97343	5.6
172.07491	9.2
174.05501	15.0
175.03937	11.7
175.06023	10.3
175.08646	6.5
176.03499	7.2
176.07034	36.3
177.05453	11.2
178.04982	25.5
178.08569	12.0
178.52490	6.1
179.03317	8.7
181.04916	5.0
186.05481	11.7
188.06978	6.8
189.07497	7.1
190.08517	12.9
191.08142	6.0
192.06519	12.3
194.08154	11.5
199.08707	8.5
200.07042	9.7
202.05005	31.1
202.08588	5.9
203.03360	6.9
203.08185	6.9
204.06471	31.5
205.04977	9.2
205.09711	5.7
216.08528	6.0
217.09724	18.1
218.08133	20.3
220.06068	23.5
220.09729	5.9
221.09262	7.6
222.07642	18.7
227.08253	6.1
228.06532	11.0
228.15309	5.4
235.10651	11.0
237.08769	6.2
238.07164	8.4
245.09233	35.3
246.07657	21.9
263.07446	6.0
263.10297	47.6
264.08771	8.5
281.11325	15.5
289.69516	5.1
391.14792	10.6
396.12793	11.8
397.13623	6.3
412.12408	13.5
428.15372	7.2
437.15607	29.2
438.13638	9.8
455.16498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08652	0.6
63.44825	0.6
69.03407	1.0
70.01112	0.6
70.06573	1.6
71.53679	1.0
83.04976	1.0
83.63490	0.6
84.04485	0.7
85.02890	1.5
91.05463	1.0
95.04935	1.0
97.02877	0.6
110.75987	0.5
115.05396	1.0
117.07005	3.1
123.04389	1.2
129.14583	0.6
135.04411	0.7
139.03847	1.2
143.07265	1.7
144.08058	100.0
145.08408	1.9
147.04402	1.1
161.10704	16.5
162.05455	1.4
163.03911	2.6
164.07053	0.8
176.07043	0.7
204.06555	0.6
239.02214	0.7
257.03391	0.7
293.14243	0.6
418.58185	0.7
455.15167	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	455.3515
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03933	2.4
55.05503	10.7
56.71355	1.1
57.07055	3.6
59.04980	4.1
65.03920	1.9
65.45325	1.1
67.05163	2.5
67.05502	39.2
69.07061	9.9
69.54426	6.0
69.54838	3.4
71.04984	2.9
71.08639	1.3
79.05124	1.3
79.05493	18.5
81.07048	48.4
83.04960	1.7
83.08604	5.1
85.06548	1.2
91.05468	20.0
93.07037	41.9
95.04991	6.9
95.08597	100.0
97.06516	5.6
97.10144	1.8
99.04439	2.3
101.52113	1.1
105.07019	43.2
107.08583	44.9
109.06480	4.2
109.10146	63.0
111.08104	9.6
111.11654	1.1
113.05952	6.2
113.09598	2.2
117.07011	7.4
119.08572	45.3
121.06475	4.3
121.10133	45.3
123.08049	5.2
123.11695	28.2
125.09595	4.7
129.07010	2.7
131.08553	12.5
133.10124	39.6
135.08022	3.0
135.10658	1.9
135.11681	30.0
136.08762	1.4
137.09572	2.8
137.13225	3.7
139.07495	4.6
139.11160	3.4
141.09081	2.7
142.07726	1.6
143.08522	4.0
145.10109	22.9
147.08047	2.6
147.11668	36.9
149.09608	2.0
149.13232	9.7
155.08597	1.7
157.10107	5.4
159.11667	24.6
161.09593	4.8
161.13240	73.4
163.11288	1.6
163.14828	3.6
171.11681	3.4
173.13261	12.4
175.11154	4.3
175.14801	13.5
177.12602	2.0
177.16354	6.9
179.10632	1.3
179.14261	1.7
182.30998	1.3
185.13240	4.4
187.14812	17.1
189.12749	2.2
189.16350	23.4
191.14174	2.1
191.17935	3.4
193.15849	2.1
197.13266	2.3
199.14787	4.8
201.12593	1.3
201.16367	22.0
203.14291	5.0
203.17944	21.5
205.15811	2.4
207.17398	2.1
213.16345	2.8
215.14282	2.2
215.17944	8.8
216.97301	1.2
217.15886	11.4
217.19406	3.6
219.17438	6.8
221.15312	10.1
227.17931	2.7
229.15857	3.6
231.17340	4.0
233.15396	5.8
233.18970	2.8
235.16914	35.1
236.17316	1.9
239.14229	1.2
241.19598	2.0
243.17537	2.0
247.16956	16.3
249.18477	2.9
259.20602	1.4
261.18494	2.4
269.22675	1.8
283.24158	2.3
288.87335	1.1
313.25238	1.9
329.24646	4.1
341.28448	1.6
381.31442	2.3
409.34729	3.2
419.32922	4.1
437.34082	32.5
438.34598	1.7
455.35168	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	456.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.8
55.05505	3.2
57.03428	32.4
57.07064	6.3
59.04970	2.2
61.02910	11.9
67.05486	6.9
69.03414	35.7
69.07058	2.5
71.01345	4.8
71.04978	3.7
71.53612	3.6
72.04491	2.2
73.02906	42.6
79.05489	3.2
81.03411	14.0
81.07052	6.7
83.08624	3.8
84.04488	2.5
85.02891	100.0
87.04453	5.9
91.03966	4.7
91.05471	7.5
93.07054	4.9
95.04956	4.3
95.08595	4.3
97.02876	54.1
99.04446	5.5
100.11255	5.7
103.03941	4.7
105.07011	4.2
107.04984	3.1
107.08541	2.6
109.02876	6.9
109.06541	2.0
109.10131	23.7
115.03123	3.7
115.03906	31.8
119.04908	8.6
119.08537	4.6
121.10101	4.0
127.03897	33.8
127.11172	16.1
132.06531	4.7
133.04959	32.7
133.10127	3.2
135.04343	3.4
145.02921	4.3
145.04933	44.3
145.10138	2.5
145.12239	6.7
147.04362	23.4
149.05925	1.9
149.09583	2.1
150.07591	6.4
150.58472	1.8
151.07480	5.1
161.09517	2.2
162.07646	3.3
163.03883	20.5
163.06013	8.8
165.09103	7.9
177.09140	2.9
180.08630	4.5
184.32773	1.9
223.05954	3.5
241.07129	7.3
259.08295	2.7
271.15454	3.3
289.16467	16.4
290.69403	1.9
355.06750	1.8
356.65005	1.9
411.23468	2.1
456.22565	2.4
457.16415	1.9
474.56982	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28183	1.4
53.03915	1.4
54.03976	1.4
55.05510	3.0
58.68443	1.5
66.21562	1.6
67.05487	4.7
69.03413	6.2
69.07051	5.4
70.06579	1.7
71.53552	3.2
79.05481	7.8
81.03397	3.4
81.07046	12.9
83.05000	2.6
85.02908	4.1
87.00824	1.8
91.05467	6.3
93.07027	6.8
95.04991	2.6
95.08582	6.4
97.02880	2.8
97.06502	3.2
105.07021	9.8
107.04932	3.3
107.08584	20.8
109.06479	4.0
109.10149	8.8
111.07999	1.7
112.09715	1.4
117.07004	1.9
118.82042	1.5
119.04945	1.8
119.08582	4.8
121.06488	3.3
121.10146	12.6
122.07294	3.9
123.08017	1.7
123.11681	1.9
127.03870	2.3
129.22227	1.5
131.08607	3.2
133.10115	100.0
135.08031	7.8
137.05956	2.1
137.09601	51.3
141.85725	1.5
145.10139	2.4
147.04395	1.6
147.11676	3.5
149.09665	3.5
149.13283	8.3
151.07501	6.1
154.82068	1.6
158.35092	1.6
158.89259	1.6
163.03809	3.4
163.14799	1.7
165.09084	16.2
173.13260	4.3
177.09079	4.2
191.10660	1.8
191.14284	44.9
203.10643	3.2
205.12276	2.2
209.15306	2.3
262.88593	1.5
289.94571	1.9
310.88440	1.9
457.24115	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	457.367
Annotation	Soyasapogenol E
Peak:m/z	Relative Intensity
55.01852	1.6
55.05504	8.0
57.07082	2.7
59.04997	1.9
61.09092	1.1
65.03922	1.2
67.05501	11.8
69.03426	3.1
69.07063	18.3
70.11693	6.1
71.04974	1.9
71.08623	1.5
79.05476	11.1
81.07052	24.9
83.04980	3.0
83.08608	7.0
85.06529	2.5
91.05462	11.6
93.07032	43.2
94.07316	1.4
95.04959	2.7
95.08598	37.7
97.06534	3.4
97.10141	3.1
98.21359	1.9
99.08107	2.9
105.07014	16.0
107.08579	59.8
108.08874	1.1
109.06488	4.2
109.10138	22.1
111.08065	7.0
117.06996	4.2
119.08570	32.6
121.10126	50.8
123.08046	2.3
123.11682	17.8
125.09630	5.0
131.08546	7.3
133.10107	21.7
135.08058	6.4
135.11679	14.3
137.09622	2.0
137.13232	7.6
139.11151	4.4
143.08591	4.0
145.10100	19.7
147.11639	12.4
149.09612	5.2
149.13242	100.0
150.13585	3.1
151.11147	1.9
157.10126	5.2
159.11687	21.1
161.09546	3.0
161.13210	10.3
163.11197	3.9
163.14856	3.5
165.12787	1.9
167.14366	2.4
169.10173	2.3
171.11725	5.1
173.13281	8.9
175.11174	4.6
175.14824	5.0
177.12727	3.6
177.16368	10.9
179.10718	4.1
183.11719	4.6
185.13240	5.6
186.14186	1.2
187.11191	1.5
187.14818	7.3
189.12712	2.9
189.16386	4.5
190.21434	1.3
191.14278	2.1
195.17448	2.3
197.13266	2.8
199.14859	4.5
201.12735	2.6
201.16335	21.9
201.18214	1.5
203.14337	5.5
203.17937	2.1
205.15858	4.2
207.17508	2.3
211.14825	2.2
213.16432	4.4
215.17891	6.8
219.17520	3.8
219.65233	1.3
223.16962	5.4
225.16319	3.1
227.17931	4.0
231.17374	2.4
233.18996	15.6
239.18024	1.4
243.17418	11.8
243.21254	1.4
245.19072	1.9
251.20033	17.9
251.22357	2.0
259.20462	1.7
261.18478	3.8
267.21149	1.7
271.20560	1.7
279.23236	1.6
281.22641	5.6
283.20483	1.6
285.22046	2.1
299.23575	7.9
335.32443	1.4
381.31339	1.6
403.33591	2.6
421.34625	19.1
439.35651	45.9
440.36078	4.1
457.36734	48.0
458.37161	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	457.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.3
57.07061	4.3
60.58906	2.4
67.05496	29.5
69.07054	29.4
71.08598	2.8
71.57477	4.1
79.05481	12.9
81.07046	53.0
83.08598	10.2
91.05467	12.6
93.07041	26.9
95.08594	100.0
95.71463	2.4
96.08955	2.6
97.10144	7.2
99.08084	19.0
105.07021	25.6
107.08584	42.5
109.10142	59.2
111.08052	4.4
113.09658	12.7
117.06986	4.7
119.08573	26.5
120.96131	2.2
121.10133	27.1
123.08018	2.7
123.11679	29.3
125.09589	3.2
131.08540	5.6
133.10100	21.0
135.11665	18.0
137.13234	7.1
141.12701	4.9
145.10117	16.2
147.11696	25.5
149.13246	29.0
157.10213	4.2
159.11656	12.4
161.13229	16.5
163.14839	13.9
173.13188	8.6
175.14848	8.6
177.16364	7.1
179.17903	3.1
185.13229	3.9
187.14754	6.2
189.16339	30.3
201.16338	7.8
203.17909	9.4
205.15845	10.0
207.17416	39.1
215.17928	8.5
217.19707	3.0
219.17369	5.4
233.18953	10.3
237.22145	8.0
249.22124	11.2
297.09567	2.8
297.25644	3.5
439.39438	15.3
457.35110	2.8
457.40665	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	457.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	9.4
56.45428	2.5
57.07061	6.5
59.04988	4.0
67.05494	21.7
69.07060	20.7
70.72094	7.2
79.05463	9.6
81.07049	41.3
83.08582	9.0
88.07620	2.4
91.05454	6.6
93.07035	20.5
95.08598	100.0
97.10165	5.5
99.08085	17.4
105.07005	12.6
107.08570	24.5
109.10146	44.0
113.09631	16.2
119.08567	14.1
121.10094	15.9
123.11689	29.5
131.08594	4.0
133.10127	10.7
135.11662	11.5
137.13234	9.2
141.12732	2.8
145.10098	8.3
147.11687	6.1
148.79025	2.5
149.13240	7.8
159.11664	5.9
161.13246	10.8
163.14857	5.9
175.14825	4.7
177.16284	4.5
189.16345	5.3
190.39455	2.9
200.20035	5.2
201.16316	6.4
201.81047	2.9
203.17969	4.7
215.90436	2.5
217.19382	3.4
219.17476	4.7
223.77205	2.6
237.22122	12.3
284.26740	3.2
439.39124	10.0
457.39395	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85036	2.2
53.98896	2.3
55.05503	12.4
57.07058	8.6
57.42045	2.2
59.05002	2.4
62.81243	2.7
67.05502	21.6
68.79345	2.3
69.07063	29.6
71.54269	3.9
71.54646	3.5
79.05478	7.1
81.07047	41.0
83.08614	10.1
89.42722	2.2
91.05476	8.5
92.34103	3.0
93.07018	15.7
95.08595	100.0
97.10155	5.2
97.23872	2.3
99.08092	22.5
105.07039	16.0
107.08566	19.9
109.10131	45.3
113.09631	16.1
119.08575	11.5
121.10126	18.4
123.11694	31.4
124.84560	2.5
127.11253	3.1
133.10114	11.8
135.11684	13.3
137.13264	9.8
139.11156	3.1
141.12737	7.0
145.10089	5.8
147.11679	9.7
149.13264	10.3
159.11653	4.7
161.13185	13.7
163.14774	5.5
173.13213	5.2
175.14743	4.2
177.16386	4.2
187.14749	4.5
189.16447	5.1
191.17804	3.2
200.20096	3.1
201.16463	5.1
201.20407	3.9
203.17949	6.8
205.15990	2.9
206.05855	2.6
214.71829	2.8
215.17986	5.1
219.17455	5.6
235.20615	3.8
237.22112	19.3
249.22157	5.1
331.29861	3.2
439.39200	11.8
457.39316	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	459.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29767	1.1
53.03928	3.2
55.01852	2.7
55.05499	11.0
57.03415	2.8
57.07061	4.3
59.04977	1.5
61.02916	1.6
65.03916	1.3
67.05161	1.6
67.05492	20.4
68.99760	2.3
69.03408	3.4
69.07056	6.5
70.78820	1.5
70.79156	2.2
71.04977	2.2
78.23669	1.0
79.05476	12.9
81.00489	1.0
81.03404	17.2
81.06567	1.5
81.07039	25.0
83.01303	1.3
83.04971	4.6
83.08606	8.2
85.02879	6.9
85.06523	5.1
87.00803	2.7
91.05462	12.6
93.07032	12.8
95.04955	10.5
95.08588	22.2
97.06499	3.1
97.10163	4.5
101.06013	1.7
103.03912	1.5
103.05450	1.0
105.03399	0.8
105.07008	12.0
107.04935	6.1
107.08570	9.2
109.02860	2.7
109.06482	6.6
109.10125	13.6
111.04395	2.8
111.08070	2.9
115.05431	2.8
117.06968	4.9
119.04939	2.0
119.08559	12.9
121.06458	4.6
121.10126	8.3
122.07216	1.5
123.04407	2.5
123.08036	11.2
123.11713	4.6
125.05949	1.3
125.09621	4.7
127.03895	1.2
128.06197	1.7
129.01845	2.0
129.06998	6.6
131.04921	2.4
131.08536	7.1
133.06467	3.4
133.10074	6.7
135.04404	1.9
135.08037	7.2
135.11642	4.5
137.05948	6.3
137.09586	13.4
137.13246	2.8
139.03911	1.6
139.07486	1.1
141.05415	0.9
141.07005	1.6
142.07726	0.9
143.04893	1.0
143.08540	3.1
145.06468	4.8
145.10101	3.7
147.04381	10.4
147.08023	2.7
147.11659	3.4
149.05945	3.6
149.09592	4.6
149.13298	2.7
151.03976	4.5
151.07513	93.3
153.05429	2.0
153.09085	1.2
153.19342	0.9
155.08479	2.0
156.09245	1.0
157.06465	2.0
157.10129	3.5
159.07996	4.2
159.11684	2.8
161.05997	4.5
161.09563	7.3
161.13242	1.9
163.03868	2.4
163.07532	2.5
163.11162	2.9
163.14771	1.6
165.05432	3.1
165.09084	100.0
166.09442	1.8
167.07048	4.1
169.10107	1.8
171.07986	1.7
171.11687	2.0
173.09599	3.8
173.13283	1.6
174.10382	1.0
175.03900	3.7
175.07516	3.0
175.11148	8.3
175.14778	0.9
176.08308	2.6
177.05591	1.3
177.09082	13.2
177.12660	1.2
177.16386	1.0
179.03369	3.2
179.06978	1.5
179.10651	1.1
181.10133	1.3
183.11636	1.5
185.09615	1.4
187.07494	1.0
187.11163	2.0
187.14821	1.3
188.08440	1.3
189.05438	2.1
189.09140	5.8
189.11154	1.7
189.12659	6.1
189.16351	1.2
191.06973	1.4
191.10637	28.8
193.04926	4.2
193.08539	1.0
193.12187	9.4
195.11650	1.1
197.13277	1.5
199.07626	1.1
199.11156	3.3
203.10645	5.3
203.14323	2.0
203.17923	1.5
205.08617	1.7
205.12199	14.4
205.19434	1.0
207.10074	1.6
211.09535	1.5
213.12712	1.3
215.10577	1.3
215.14262	2.2
217.04942	3.0
217.08540	3.6
217.12247	3.6
223.09576	1.3
231.10153	1.1
231.13736	2.4
233.15227	1.7
235.06024	2.3
235.09634	18.8
241.12231	1.1
245.04453	2.7
245.15413	1.9
247.09657	1.3
249.11174	1.8
249.14842	1.7
253.08171	1.1
253.10660	17.4
254.11061	0.9
255.13783	1.8
259.09714	2.5
259.13046	1.0
259.16846	1.0
273.11157	1.8
273.14822	3.6
277.10672	15.5
283.09601	2.0
285.11295	2.2
301.10687	9.5
304.17310	0.9
319.11734	11.7
321.24130	3.0
339.22995	1.6
349.21582	4.3
357.24078	2.0
367.22614	10.5
385.23618	8.9
395.29562	1.6
403.24628	1.7
413.30457	2.5
423.28772	2.2
441.29865	4.1
459.17847	4.2
459.26843	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05496	0.5
59.87310	0.4
65.03935	3.2
66.35396	0.5
67.05499	2.7
69.03408	1.0
69.07069	0.6
70.06570	0.9
71.01315	0.5
71.04126	1.0
72.04494	1.2
75.95795	0.4
79.05470	0.8
81.07060	0.9
82.04184	1.0
85.02892	2.5
85.06538	0.5
86.06068	0.5
88.02202	0.6
91.05443	0.5
93.03385	0.9
93.07026	1.0
95.04958	0.7
95.08597	0.8
97.06517	1.0
97.10138	0.4
102.03799	0.6
105.07025	1.0
107.08554	0.6
108.02076	0.8
109.10124	0.7
110.03633	1.9
111.04409	1.1
113.06014	0.7
114.03737	0.9
119.08562	0.8
125.05972	1.2
131.06415	0.5
131.08580	0.5
132.04767	1.6
133.10133	0.6
137.05942	1.1
138.03102	1.5
142.02599	1.8
142.08652	1.0
145.06392	0.5
147.04376	0.9
149.07443	2.0
151.07533	1.9
153.05476	1.0
161.09579	0.6
163.11153	0.4
165.09077	0.9
171.06522	3.6
177.09044	0.7
181.04935	100.0
182.05342	1.7
191.10725	0.7
227.99307	0.4
249.03374	0.4
252.08644	16.8
253.09045	0.6
261.12668	4.0
298.19418	0.5
311.10458	0.7
329.11615	12.0
441.16827	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	459.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01853	3.1
55.05509	10.1
57.03417	2.5
57.07075	2.9
60.10519	1.8
63.32809	2.2
65.87516	2.2
67.05492	28.2
69.03423	15.7
69.07062	16.4
69.70094	13.6
71.04973	4.4
71.25452	2.2
79.05491	10.7
81.03401	9.1
81.07053	27.9
83.04988	10.6
83.08607	7.8
85.02884	10.5
85.06522	3.8
87.00800	5.4
91.05463	9.5
93.07026	18.9
95.04945	5.9
95.08601	39.3
97.02907	4.4
97.06541	3.4
97.10151	3.4
99.04439	2.6
99.08054	5.1
105.07013	17.0
107.04921	2.4
107.08577	26.2
109.02874	5.4
109.06506	10.0
109.10148	100.0
110.10472	3.1
111.08085	4.9
117.07001	2.6
119.04946	2.1
119.08561	39.2
121.06497	2.1
121.10110	14.7
123.08050	17.7
123.11679	8.2
125.09591	3.6
127.03897	5.3
127.11188	2.9
131.08566	5.6
133.10123	18.7
135.08107	3.0
135.11673	95.3
136.12001	3.0
137.05937	7.3
137.09586	16.3
139.07544	2.2
139.11154	2.2
145.06528	2.2
147.04401	6.0
147.08029	2.3
147.11671	6.0
149.09608	3.2
149.13213	7.9
151.07530	18.6
151.11157	7.1
151.14761	9.8
153.12708	3.8
159.11597	3.0
159.58849	1.8
161.09596	2.4
163.11227	2.6
165.07768	3.9
165.09103	62.8
165.16347	2.4
167.07069	3.0
173.13147	2.4
175.11209	3.5
175.14819	42.0
177.09099	4.7
179.10709	2.6
191.10666	10.0
193.15869	57.6
194.16060	2.2
203.10684	3.0
205.12233	7.6
211.16899	47.6
211.18787	4.1
367.22549	4.3
382.75360	2.5
385.23447	3.1
412.90045	2.4
459.17328	3.6
459.27155	6.9
484.23621	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01848	11.3
55.05255	3.7
55.05504	63.5
57.03409	4.2
67.05166	3.4
67.05499	54.5
69.03411	6.4
69.07056	16.6
71.54434	6.0
79.05486	56.7
81.03388	13.8
81.07051	49.5
83.04962	6.9
83.08611	30.4
91.05476	46.5
93.07032	30.9
95.04948	12.3
95.08598	19.9
97.06499	5.2
97.10162	51.8
103.05450	20.0
105.07028	38.5
106.97524	3.0
107.04929	12.8
107.08588	30.5
109.06498	5.2
109.10150	15.6
109.22574	3.1
111.08005	3.2
114.90170	3.0
115.05434	13.8
117.06194	4.8
117.07008	67.1
119.08555	19.6
121.06467	7.3
121.10118	9.0
123.08059	4.8
125.09621	35.3
128.06235	4.7
129.07019	28.6
130.07774	3.2
131.04958	7.4
131.08559	46.0
133.06482	14.0
133.10106	10.4
135.08009	13.9
135.11684	3.6
137.05910	3.5
141.06956	14.4
143.08559	15.4
145.06480	17.5
145.10101	17.6
147.07965	5.1
149.09583	7.9
149.13179	3.7
153.06924	3.5
154.07776	4.1
155.08560	22.0
157.06467	11.2
157.10080	11.0
159.08072	6.7
159.11673	5.7
167.07050	8.4
167.08543	7.5
169.10110	15.8
171.08026	3.3
171.11642	7.5
173.13234	5.2
175.11163	3.3
181.10107	5.1
183.11687	3.8
185.13206	3.7
187.11365	3.3
187.14793	18.6
189.11203	25.1
193.12303	3.6
195.11682	5.2
197.11671	2.8
197.13239	19.2
199.11121	5.3
209.09615	4.4
209.13234	3.9
213.12732	5.6
215.14311	90.9
221.13194	3.5
227.12704	33.3
241.12184	4.6
245.13731	4.5
251.14265	3.5
271.17068	6.5
273.14914	3.5
313.95212	3.7
319.76773	3.3
331.20645	3.5
339.23071	8.9
349.21524	16.1
357.24496	4.1
367.22592	48.2
385.23804	27.9
403.24744	11.7
441.26349	43.5
459.27298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70012	1.0
53.03933	6.1
54.47514	1.1
55.01863	8.1
55.05503	25.8
55.96965	1.1
57.03431	5.0
60.84303	1.0
61.11687	0.9
65.03928	1.9
66.89390	0.9
67.05494	37.1
68.05815	0.9
69.03402	3.6
69.07053	9.6
71.04967	3.4
71.26888	2.4
79.05483	37.4
81.03407	69.6
81.07049	32.4
83.04972	7.9
83.08611	20.6
91.05468	43.2
93.07032	25.7
95.04954	29.0
95.08041	1.3
95.08593	14.2
97.02868	2.4
97.06511	2.9
97.10150	14.8
99.08105	1.2
103.05489	2.2
105.07018	26.5
107.04935	18.9
107.08588	12.7
109.06518	6.1
109.10146	6.6
111.04417	1.4
111.08070	6.8
113.05988	1.0
115.05448	5.3
117.07001	11.2
119.04893	2.1
119.08552	20.7
121.06489	8.4
121.10106	7.9
123.04414	2.4
123.08025	5.7
125.09603	12.2
128.06209	4.1
129.06981	15.6
131.04909	4.9
131.08556	18.3
133.06480	8.4
133.10106	12.0
135.04384	1.4
135.08029	4.8
135.11659	2.8
137.09587	3.5
141.06984	2.9
142.07744	2.6
143.08522	7.2
143.10606	2.1
144.05624	2.2
145.06471	18.5
145.10078	5.2
147.04475	1.2
147.08003	7.5
147.11665	12.8
149.06033	1.5
149.09592	5.8
151.07504	5.6
153.09085	3.7
155.08517	4.9
157.06454	5.1
157.10127	12.6
159.08047	4.7
159.11673	3.5
161.05991	2.7
161.09595	3.2
163.11197	2.6
165.09108	4.1
165.12698	2.7
167.08600	3.0
169.06464	1.4
169.10080	2.9
171.08064	4.3
171.11690	3.4
173.09592	2.9
175.07434	1.5
175.11169	11.1
177.09122	1.3
181.10059	2.1
183.08060	1.1
183.11687	1.7
185.09628	3.9
185.13190	2.6
187.11157	2.3
187.14867	1.4
189.09627	1.2
189.11218	6.7
189.12685	2.0
191.10663	1.7
193.12219	38.1
195.08086	1.5
195.11632	3.5
197.09715	1.6
197.13275	2.7
199.11058	2.4
201.12671	1.9
203.14360	1.6
205.12193	1.7
209.13310	1.4
211.11264	1.4
211.13242	2.3
211.14977	1.2
213.12720	2.8
215.14261	2.2
219.11702	1.5
221.13333	1.5
223.11267	1.8
227.14290	3.1
231.13742	2.1
233.15384	3.1
237.12694	2.6
243.13968	1.2
245.15503	1.2
249.14856	4.0
255.13782	3.2
257.15329	2.3
258.59506	1.3
259.13293	1.1
263.14401	1.2
267.15866	2.2
271.16870	2.1
273.14798	11.3
283.16916	1.2
289.17911	1.4
321.22195	1.4
331.20584	1.2
339.23178	5.8
349.21640	10.0
357.20111	1.0
357.24191	4.9
367.22620	35.4
385.23697	34.5
386.24265	1.9
403.24698	6.5
405.24146	2.0
423.25015	1.3
441.26364	3.9
459.27341	100.0
460.27542	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	459.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.01853	1.3
55.05504	7.7
55.65300	0.7
55.69471	0.6
57.03419	1.5
65.03933	1.4
67.05160	1.0
67.05495	14.6
69.03419	3.5
69.07056	5.6
69.45155	6.0
71.04979	1.5
76.87418	0.7
77.89332	0.6
79.05483	7.2
81.03408	4.3
81.07042	20.0
83.01329	1.3
83.04961	2.7
83.08610	3.6
85.02896	5.2
85.06540	1.3
87.00822	1.2
90.11735	0.7
91.05473	7.1
92.49168	0.6
93.07024	10.0
95.04945	3.6
95.08593	24.2
96.07264	0.6
96.08943	0.8
97.02870	1.9
97.06516	1.3
97.10134	2.6
101.05980	2.6
105.01859	1.3
105.07011	7.6
106.57803	0.6
107.04934	2.2
107.08571	9.7
108.05723	0.8
109.02850	1.9
109.06480	2.2
109.10143	13.8
111.04422	4.2
111.08073	2.4
112.56461	0.7
112.69652	0.7
113.09599	1.4
117.06969	2.3
119.04931	1.6
119.08556	7.7
120.05315	0.7
121.06485	3.3
121.10107	6.4
123.08049	10.6
123.11695	9.3
125.09620	2.2
125.82777	0.6
127.03865	3.1
127.11144	1.0
128.06151	1.4
129.05461	1.2
129.06952	2.2
131.04796	0.9
131.08603	3.7
133.06465	1.1
133.10121	4.1
135.08025	11.9
135.11678	2.7
137.05937	1.6
137.09598	4.3
137.13289	1.6
139.07579	0.8
139.11188	0.9
143.08566	1.9
145.04900	1.2
145.06464	1.6
145.10098	3.7
146.07176	0.9
147.04388	4.2
147.08047	1.6
147.11656	2.7
148.04729	3.9
149.05956	1.2
149.09587	5.3
149.13246	8.7
151.07516	100.0
151.14731	1.1
152.07857	2.2
154.06244	1.7
155.08559	1.2
157.08580	1.6
157.10071	2.0
157.12355	0.8
158.07240	0.8
159.02956	0.7
159.08055	3.8
159.11662	2.9
160.08789	1.0
161.05966	0.9
161.09593	8.4
161.13200	1.7
162.06726	1.5
163.07497	3.2
163.11143	5.5
163.14787	2.0
165.09091	30.0
166.09410	0.9
167.06989	1.4
169.10083	0.9
169.15839	1.0
171.08047	1.0
171.11710	1.0
173.09607	7.0
174.06702	0.7
175.07536	3.7
175.11177	8.6
175.14653	0.8
176.08243	5.4
177.09084	32.2
177.16406	1.0
179.10664	2.0
185.09663	1.2
187.11182	4.2
187.14825	0.8
188.08296	3.0
189.09099	9.7
189.10789	0.9
189.12698	5.9
189.16342	1.0
190.09859	2.7
191.10641	85.5
191.17911	1.4
192.11011	1.5
193.12212	1.9
195.10150	4.1
199.11150	7.0
201.09183	0.9
202.09886	2.0
203.10646	13.0
205.12212	29.8
205.14145	1.5
206.12531	0.8
209.49825	0.7
215.10666	0.8
215.14276	1.7
216.11392	1.5
217.12224	6.5
229.11989	0.9
231.13754	10.7
245.15334	7.5
253.18044	1.0
259.16830	1.5
271.16641	0.9
273.18372	1.1
287.20084	1.4
291.23447	0.7
295.22702	2.0
296.70612	0.7
299.20383	0.7
321.24258	4.6
349.21588	1.3
367.22653	2.0
385.23706	2.9
395.29276	3.0
403.24515	1.3
413.30511	4.1
423.28842	2.2
441.29907	3.1
459.31683	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	459.3825
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03938	2.3
55.05511	10.1
57.03408	1.3
57.07055	4.3
59.04989	2.3
65.03921	1.3
65.04428	1.2
67.05501	12.2
69.03407	2.8
69.07060	15.8
69.23447	1.3
71.04984	2.3
71.08634	1.7
79.05488	11.4
81.07048	28.4
83.08598	6.0
85.06523	2.4
91.05472	12.5
93.07035	44.2
95.04916	1.7
95.08597	42.9
97.06531	3.2
97.10152	2.8
105.07022	22.5
107.08585	59.4
109.06475	2.8
109.10142	24.8
111.08054	4.4
117.06998	2.1
119.08566	23.5
121.10137	51.7
123.08035	2.2
123.11701	14.9
125.09593	4.7
131.08510	8.5
133.10120	22.7
135.11682	32.5
137.09576	1.9
137.13228	8.9
139.11148	3.0
143.08545	3.4
145.10123	17.6
147.11676	16.8
149.09552	2.1
149.13245	58.2
157.10132	5.7
159.11667	16.3
160.12099	1.4
160.67416	1.3
161.13258	12.8
163.14833	7.5
165.09065	4.3
167.07091	1.9
167.14270	3.2
169.10075	1.6
171.11639	7.8
173.13225	10.0
175.14832	8.0
177.16325	10.1
179.14320	1.7
183.11711	2.4
185.13232	9.6
187.14798	15.0
188.26717	1.5
189.16370	4.2
191.17958	5.4
195.17479	3.2
199.14778	4.8
201.16342	27.1
202.16685	2.7
203.17941	35.4
205.15919	3.4
211.14844	2.2
213.16417	11.4
215.17964	9.2
217.19620	1.9
223.16959	7.8
225.16374	3.4
227.17915	11.9
229.19447	2.6
233.19003	16.9
234.19211	1.4
241.19397	3.3
245.18971	2.5
251.20041	23.3
253.19447	1.7
255.21146	2.2
267.21033	2.4
269.18903	1.4
279.23123	4.1
281.22754	2.7
283.24213	13.2
353.29092	1.5
405.35095	4.5
423.36169	100.0
424.36328	4.2
441.37424	12.6
443.07758	1.5
459.29935	2.0
459.38248	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	459.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.5
57.07069	5.6
59.04971	3.5
62.46625	2.5
63.75992	2.3
67.05500	26.8
67.34355	2.6
68.60300	2.8
69.07054	29.4
73.93880	2.4
76.80013	2.8
79.05473	9.6
81.07050	47.0
83.08620	13.8
91.05473	6.7
93.07016	23.9
95.08597	100.0
97.10152	8.2
99.08076	17.0
103.71986	3.5
105.07004	11.4
107.08589	31.8
109.10144	58.9
109.10827	5.1
111.11698	4.1
113.09623	10.2
119.08589	10.1
121.10133	36.1
123.11696	31.7
131.46994	3.6
133.10098	10.2
135.11681	25.8
137.13251	8.1
147.11678	5.1
149.13226	11.6
161.13248	6.6
163.14818	9.3
175.14799	2.7
177.16310	3.3
187.88275	3.1
191.17896	43.1
203.17918	4.4
205.19557	3.6
217.19429	7.0
223.20464	2.9
237.22092	5.0
249.22102	6.9
441.40771	14.3
459.41977	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.0
69.03422	2.0
69.64349	4.6
71.04985	1.0
81.03364	0.8
85.02896	5.2
86.09715	0.8
91.05471	1.0
93.07011	1.0
95.04974	0.8
95.08605	5.2
97.02888	1.9
97.06516	2.4
99.04441	0.6
105.07012	1.1
107.04938	1.2
109.06524	0.7
119.08565	1.8
123.08059	64.0
124.08378	1.0
131.08545	0.9
135.08025	1.6
137.05969	1.8
137.09660	0.8
139.07532	0.8
145.04977	1.7
145.06383	0.6
145.10089	0.9
147.08057	1.2
157.10100	0.9
159.11729	0.9
161.09589	1.1
163.07545	0.7
165.09102	100.0
166.09450	2.2
171.11710	0.7
175.11136	0.8
179.04671	0.6
187.11069	1.3
199.11159	2.3
203.10684	2.0
205.08524	1.2
215.10744	1.3
233.11644	3.9
245.11693	1.6
263.12762	21.2
281.13708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1437
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
53.03943	1.5
57.03405	0.6
61.02907	1.5
61.20576	0.5
63.94770	0.4
67.05473	0.7
69.03423	1.3
70.05104	0.5
70.75404	0.6
70.75746	1.4
73.02909	3.5
79.05476	2.1
81.03398	0.6
81.07028	1.0
85.02895	2.1
91.03938	0.8
91.05460	1.0
93.07056	0.6
95.04971	1.7
97.02881	1.0
105.06995	0.8
107.04943	100.0
108.05276	2.2
108.48930	0.6
119.04906	0.6
119.08568	0.9
127.03822	0.5
147.04373	0.5
149.05930	0.5
151.07486	1.6
163.35457	0.5
165.01872	0.6
177.05499	0.7
193.05038	0.7
205.04945	12.5
206.05650	3.7
207.06276	0.6
217.04967	3.1
219.06538	1.7
230.05765	0.8
231.06543	0.7
233.04483	1.1
235.05988	15.6
243.03191	0.6
245.08086	3.2
247.06032	1.0
247.40871	0.5
259.06061	4.5
261.03934	1.0
265.07004	0.7
273.07535	1.7
283.06097	0.7
287.05545	2.3
289.07166	0.7
299.09140	0.7
301.07117	2.1
303.05017	1.7
311.09103	11.5
311.12509	0.9
312.05960	0.6
312.09329	0.8
319.08139	1.6
323.08963	2.8
329.06677	0.6
341.10138	16.9
342.10632	0.8
345.04578	0.6
346.04813	1.0
347.04459	0.9
351.12399	0.8
353.10178	1.1
361.02304	3.5
365.10089	6.0
371.11343	1.2
377.01971	1.5
379.03217	1.0
379.11615	1.3
383.11700	0.8
395.11215	8.7
407.11343	3.7
425.12363	12.2
443.13358	20.5
444.13907	1.6
461.14426	28.2
462.14706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50313	0.4
53.03931	0.9
55.01841	0.9
69.03437	0.6
71.53581	0.9
79.05477	1.4
81.03416	0.7
81.07024	0.5
85.02894	1.2
93.07024	0.7
95.04967	2.0
97.02880	0.8
103.03178	0.3
103.03893	0.7
105.03362	0.8
105.04487	0.7
107.04939	100.0
108.05257	2.1
109.62140	0.4
111.08021	0.4
119.08593	0.6
137.05894	0.7
151.03876	0.6
151.07526	1.5
165.01843	1.7
165.09097	0.5
177.01883	0.8
183.02818	0.7
189.05382	3.3
192.04288	0.6
193.04929	1.0
203.06963	1.1
205.04942	18.2
206.05630	1.4
216.03993	0.4
217.04955	3.2
217.08466	0.7
218.05592	0.4
227.06950	0.9
229.04912	1.3
231.06467	5.1
234.05167	0.5
235.05998	11.2
245.07976	2.3
254.05800	0.6
255.06461	1.0
258.05258	0.6
259.05862	1.9
264.83752	0.5
271.05847	1.9
282.05347	0.7
283.06018	0.9
299.09076	2.4
300.06009	0.5
301.07034	1.3
311.09097	37.7
312.09467	1.5
323.09174	1.8
325.10486	0.5
335.08981	0.7
337.10602	2.6
339.08789	0.4
341.10144	31.2
342.10498	1.2
349.10876	0.6
351.12195	3.4
361.10791	0.6
365.10144	22.3
366.10526	1.0
377.10275	4.6
379.11728	1.1
389.10147	4.9
395.11230	9.1
407.11194	9.0
425.12308	9.1
425.17636	0.3
426.12677	0.7
443.13348	4.2
461.14587	1.2
461.70944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.2
55.01848	6.4
55.05506	25.0
57.03405	5.2
57.07047	2.0
65.03932	4.1
67.05495	40.9
69.03420	2.7
69.06759	1.5
69.07061	14.6
70.62061	5.0
71.04967	3.5
79.05048	2.3
79.05482	38.0
81.03400	10.4
81.07042	46.0
83.04973	18.6
83.08607	10.2
85.06508	3.4
91.05470	42.9
93.07034	38.4
95.04951	20.9
95.08039	2.6
95.08595	41.7
97.06520	8.1
97.10140	6.2
101.81235	1.8
103.05417	2.8
105.07016	43.0
107.04945	9.9
107.07932	2.7
107.08582	24.6
108.08868	1.5
109.06514	8.1
109.10153	12.2
111.04401	6.1
111.08065	6.6
111.66267	1.5
115.05407	4.6
116.06212	2.4
117.07000	22.1
119.04945	1.7
119.08558	22.8
121.06475	11.8
121.10130	13.8
123.08054	8.2
123.11655	3.0
125.05991	3.7
125.09584	6.6
128.06215	7.7
129.06984	19.0
130.07751	2.7
131.04874	2.6
131.08542	30.8
133.06477	8.4
133.10110	18.3
134.54416	1.8
135.07997	7.3
135.11626	7.6
137.09583	2.1
139.07478	3.6
141.06940	11.6
142.07716	6.7
143.08551	21.0
145.06468	11.2
145.10123	18.1
147.07983	7.1
147.11690	9.3
149.09566	5.6
149.13208	3.9
151.07445	2.6
153.06911	4.9
154.07759	2.5
155.08533	16.0
156.09262	5.7
157.10103	22.0
159.07951	6.5
159.11673	12.5
161.00836	1.6
161.09628	8.2
161.13193	2.0
163.11090	3.7
165.06935	6.6
166.07722	4.1
167.06973	10.3
167.08490	9.9
168.09273	4.3
169.06367	1.7
169.10129	16.2
170.10793	2.8
171.07988	4.3
171.11699	22.6
173.09566	5.6
173.13246	7.8
175.11127	4.0
175.14917	2.8
177.12627	3.1
179.08502	6.9
180.09369	2.2
181.10117	11.4
182.10818	2.8
183.08078	3.1
183.11682	16.2
184.08763	1.6
184.95694	1.9
185.09578	2.8
185.13132	8.8
187.11157	4.6
189.11151	2.1
189.12743	2.8
189.16074	2.1
191.08607	2.0
191.10481	1.9
192.09242	5.4
193.10065	9.9
193.12183	3.5
194.10838	3.7
195.11687	13.4
196.12289	3.2
197.09616	3.6
197.13203	10.3
199.11086	7.1
199.14748	4.9
201.12675	6.3
203.08481	2.3
203.10445	1.7
203.14293	2.6
204.09297	2.4
205.10036	6.9
205.12042	2.5
206.10806	8.9
207.11713	14.5
207.13504	3.1
209.09566	6.2
209.13211	9.9
211.11104	5.9
211.14778	3.2
213.12660	6.9
215.10562	2.3
215.14175	3.4
217.10014	4.5
217.12164	4.8
217.15782	5.4
218.10805	5.3
219.11681	10.9
220.12334	3.5
221.13229	24.1
223.11024	4.3
223.14734	6.5
225.12651	4.3
227.10628	8.5
229.12146	6.1
231.11589	3.2
231.13747	3.6
232.12334	3.1
233.09595	2.5
233.13187	9.4
233.15248	2.7
235.10974	2.5
235.14731	5.8
237.12700	2.5
237.16406	2.6
239.14177	3.9
241.12183	4.8
241.15816	2.1
243.13805	3.8
245.13208	5.6
246.14012	2.9
247.11102	2.9
247.14876	7.7
249.16310	3.3
251.14180	2.3
252.11421	1.9
253.12163	3.6
253.15764	4.0
255.13689	2.6
257.15363	3.2
259.14679	4.0
260.15381	2.4
261.12643	2.8
261.16388	8.8
265.12045	3.5
267.13715	9.1
271.16824	2.4
273.16132	3.4
275.14304	2.2
275.17838	10.6
276.18579	2.0
279.13663	5.3
281.15515	2.5
293.15280	1.9
303.17325	6.2
306.04678	1.8
306.15979	2.6
307.16858	4.8
317.22388	2.5
319.16858	2.5
321.18463	22.5
322.18649	2.0
323.20068	2.9
323.23410	1.9
329.18958	2.0
333.18396	1.8
333.22098	4.8
338.38330	1.7
341.24533	5.9
341.80704	2.3
347.19894	6.3
351.23227	14.6
362.22220	6.9
369.24200	24.7
377.25186	1.6
387.25305	13.1
401.24335	2.9
415.26300	14.4
417.27670	3.6
425.24976	6.9
433.27277	3.0
443.27094	33.1
444.27222	2.9
461.27118	100.0
462.27142	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	461.2683
Annotation	Rudbeckiolide
Peak:m/z	Relative Intensity
53.03914	6.0
54.62087	2.0
55.01862	4.3
55.05503	21.2
57.03422	3.7
65.03903	3.1
67.05173	3.1
67.05499	36.7
69.03401	2.9
69.07062	11.5
69.21450	7.4
69.21877	16.3
71.04953	6.4
74.30471	1.9
79.05482	36.1
81.03420	13.7
81.07049	44.5
83.04971	16.4
83.08614	12.6
85.06495	3.1
91.05464	42.3
93.07038	43.2
95.04958	23.7
95.08047	3.5
95.08599	44.3
97.06487	7.1
97.10136	8.9
103.05463	2.4
103.91399	1.9
105.06367	3.2
105.07014	40.4
107.04966	10.5
107.07950	2.9
107.08585	28.5
109.06467	7.5
109.10143	11.9
111.04424	5.9
111.08044	5.9
115.05399	5.1
117.07019	14.0
119.04882	3.2
119.07793	2.0
119.08572	25.8
121.06498	10.8
121.10133	14.4
123.08003	8.4
123.11668	2.6
125.05924	1.9
125.09573	5.7
128.06186	6.8
129.06995	15.6
131.04890	2.8
131.08537	21.8
133.06464	10.0
133.10101	19.6
135.07977	6.5
135.11595	4.3
137.05949	4.9
141.06934	9.6
142.07697	8.7
143.08554	19.1
145.06483	11.8
145.10089	20.7
147.07977	7.3
147.11620	7.6
149.05806	2.4
149.09601	4.2
149.13199	8.1
153.06921	4.4
154.07773	4.4
155.08530	19.4
156.09283	7.0
157.10123	22.1
159.07970	6.8
159.11696	11.5
161.05859	2.2
161.09581	4.0
161.13155	3.7
163.11195	4.7
165.07025	11.5
166.07716	3.9
167.07045	5.7
167.08507	8.4
168.09239	6.5
169.06438	3.4
169.10147	17.7
170.07260	2.7
170.10783	3.6
171.07962	3.3
171.11609	8.7
172.08846	2.5
173.09583	3.8
173.13232	4.6
175.11201	4.9
177.12660	3.4
178.07724	3.4
179.08456	9.2
180.09132	2.7
181.06383	3.2
181.10080	13.3
183.08029	7.3
183.11671	22.7
184.12289	2.6
185.09552	6.7
185.13188	9.2
187.11104	5.7
187.14746	3.4
189.09067	2.4
189.11137	4.1
191.08504	4.0
192.09254	6.2
193.10068	11.3
193.12160	7.0
194.10847	2.9
195.08051	2.7
195.11646	15.3
195.13344	2.4
196.08736	3.3
196.12262	2.4
197.09512	8.7
197.13142	7.4
198.10355	3.5
199.11171	3.9
199.14815	4.2
201.09099	2.1
203.08424	5.0
205.10094	4.5
205.11922	2.2
206.10832	7.1
207.08115	2.9
207.11728	13.3
207.13408	2.9
208.12286	3.0
209.09550	4.8
209.13152	9.0
211.11115	12.1
211.14792	2.2
212.12013	2.6
213.12631	8.0
215.10562	4.2
217.09967	3.7
217.15842	6.0
218.10855	5.8
219.11768	13.3
220.12338	6.6
221.09575	4.1
221.13237	12.3
222.13951	2.8
223.11189	4.4
223.14822	4.8
225.12685	4.7
227.10669	4.6
227.14253	3.0
229.12146	7.9
231.11649	3.9
231.13637	4.3
232.08722	3.3
232.12254	3.0
233.09444	6.0
233.13184	11.2
233.15115	2.2
235.14699	6.4
237.12813	2.1
237.16217	2.7
244.12445	2.5
245.13197	5.4
245.15395	2.6
246.10176	2.4
246.14061	3.6
247.11125	5.5
247.14801	6.2
249.12628	2.9
249.16405	2.5
251.10526	2.6
253.12149	3.2
257.15283	3.7
259.14618	3.2
261.12631	10.8
261.16333	5.7
265.11990	2.5
267.13779	11.4
275.14191	2.6
275.17871	5.9
277.15561	2.0
277.19400	3.1
279.13733	9.8
279.16595	2.1
281.15289	4.4
293.15234	4.7
301.15521	3.0
303.17303	9.4
305.18964	3.5
307.16513	3.6
321.18335	11.4
323.20123	2.3
323.23514	2.4
333.22165	3.0
347.19760	4.7
351.23004	7.8
369.24182	21.2
387.24988	8.0
415.26193	11.3
417.27359	3.1
425.24908	6.5
433.27081	7.1
443.26239	26.9
461.27155	100.0
479.27713	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	461.2684
Annotation	Rudbeckiolide
Peak:m/z	Relative Intensity
53.03915	6.6
55.01851	7.0
55.05505	20.9
57.03418	4.4
57.07056	2.9
61.68386	1.8
62.55748	1.8
63.32365	1.9
65.03899	4.6
67.05503	39.2
69.03399	5.9
69.07059	13.2
71.04971	4.3
71.33100	1.7
78.04498	1.9
79.05059	2.3
79.05486	36.3
81.03421	18.1
81.07050	43.1
83.04968	11.0
83.08601	12.1
91.05469	32.7
93.07040	38.0
95.04951	20.4
95.08597	46.3
97.06487	4.3
97.10120	6.6
103.05399	4.1
105.06378	2.7
105.07017	35.8
107.04895	8.4
107.07928	2.9
107.08575	27.8
109.06478	6.3
109.10123	10.8
111.04404	2.8
111.08041	6.3
115.05382	4.4
117.06976	19.7
119.04879	3.9
119.08566	28.9
121.06492	10.5
121.10119	17.1
123.08027	6.2
125.09569	7.5
128.06145	7.5
129.06981	16.0
131.04921	2.6
131.08546	21.8
133.06439	8.4
133.10117	23.6
135.08002	2.5
135.11597	6.1
137.05894	7.9
137.09544	2.4
139.07478	4.1
141.06990	13.2
142.07851	10.2
143.08533	24.9
144.09250	3.3
145.06528	12.8
145.09216	2.2
145.10114	25.4
147.08011	6.8
147.11612	9.2
148.37784	2.2
149.09605	4.7
149.13150	6.9
151.07443	2.8
153.06952	5.5
154.07695	3.2
155.08499	23.5
156.09239	7.1
157.06459	3.2
157.10098	23.2
159.07962	6.5
159.11665	17.0
161.09566	4.5
161.13225	4.4
163.11122	2.9
165.06944	9.2
166.07738	5.1
167.07057	4.4
167.08466	8.1
168.09227	6.6
169.06422	4.3
169.10092	21.0
170.07176	3.7
170.10823	2.9
171.07965	7.2
171.11662	16.5
173.09528	6.3
173.13277	2.6
175.11105	6.2
177.12692	3.2
178.07716	2.9
179.08556	12.2
180.09239	3.4
181.10103	13.2
182.10812	4.8
183.07968	6.9
183.11668	33.8
184.08775	4.8
184.12379	2.9
185.09554	6.8
185.13223	13.2
187.11093	4.5
189.08975	3.6
189.10971	2.7
189.12668	4.2
191.08482	3.9
192.09262	5.1
193.10007	14.6
193.12074	4.4
194.10805	4.8
195.08044	3.1
195.11713	17.1
196.08743	5.2
197.09673	12.4
197.13196	12.8
197.23199	2.1
198.10245	5.9
199.11160	7.9
199.14702	3.0
201.09026	4.2
201.12640	3.0
202.90985	2.2
203.08408	3.3
204.09341	2.5
205.10083	6.9
205.12073	3.4
206.10922	4.3
207.11674	13.7
209.09555	3.5
209.13225	9.5
211.11147	18.6
211.14651	2.3
213.12733	11.6
217.10019	5.4
217.12154	3.3
217.15723	5.5
218.10704	5.1
219.11684	13.4
220.12247	4.7
221.13171	11.7
223.11227	3.8
223.14713	5.8
225.12669	4.8
227.10506	5.2
229.10153	4.7
229.12134	9.4
231.11624	4.8
231.13625	4.1
232.12355	4.4
233.09520	5.7
233.13063	6.7
233.15157	2.5
235.11081	3.2
235.14719	7.8
237.16359	3.7
243.13635	4.2
244.12074	2.4
245.09604	2.3
245.13132	5.6
247.10947	6.5
247.14693	8.1
249.12686	4.8
257.12997	3.7
260.15536	2.7
261.12604	7.4
261.16299	5.1
263.14182	5.3
265.12119	5.4
267.13708	7.0
271.02924	2.2
273.16089	2.7
275.14081	3.0
275.17825	3.9
277.19305	4.9
279.13776	10.3
281.15265	2.8
293.15137	4.4
301.15622	3.4
303.17252	8.2
303.20517	3.1
305.18790	8.1
321.18448	14.0
323.19882	4.3
331.20453	2.8
347.19836	2.7
351.23047	8.4
362.22272	2.7
369.24203	16.2
387.24951	8.1
397.25009	4.3
415.26270	12.3
417.26941	2.7
425.24649	5.8
433.27295	10.3
443.26352	23.7
443.31705	2.1
443.32675	2.0
461.26929	100.0
462.26962	7.6
479.27814	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01872	10.9
55.05504	41.7
57.03418	8.8
57.07064	3.8
65.03934	5.1
66.12450	1.8
67.05495	72.0
69.03412	5.3
69.07054	22.3
70.72930	6.0
71.04970	3.9
77.00667	2.0
79.05039	3.9
79.05484	55.6
81.03407	53.3
81.03889	3.1
81.07044	85.6
83.04965	12.0
83.08601	26.5
85.06506	5.7
87.44042	1.8
91.05473	57.5
92.05785	2.1
93.07034	60.6
95.04955	48.5
95.08594	33.0
95.70389	1.8
97.02896	2.6
97.06539	10.2
97.10155	17.5
99.00771	4.4
103.05432	2.8
105.07019	42.0
107.04954	17.2
107.08575	30.0
109.06483	8.1
109.10137	12.0
111.08060	8.8
115.05428	5.3
117.07009	23.3
119.04917	3.7
119.08566	23.8
121.06496	19.4
121.10111	14.9
123.04428	1.9
123.08057	6.3
123.11707	3.7
125.09608	8.8
128.06181	4.6
129.07001	20.1
131.04915	5.2
131.08546	29.8
133.06461	11.6
133.10114	18.8
135.08034	8.5
135.11691	7.7
137.09604	3.1
141.06978	7.4
142.07756	4.7
143.08536	13.8
145.06474	15.6
145.10081	11.5
147.08034	8.8
147.11642	8.5
149.09601	8.6
149.13242	19.4
151.07487	2.4
155.08563	7.1
157.10098	16.7
159.08041	7.7
159.11670	15.3
161.09557	3.8
161.13205	2.4
163.11192	4.2
167.07018	11.2
167.08414	2.8
169.10112	5.9
171.08005	5.3
171.11670	5.4
173.13205	3.2
175.07503	2.9
175.11166	7.3
177.05513	2.5
177.12688	6.1
179.08586	2.0
181.04965	5.8
181.10132	3.3
183.11729	4.8
185.09677	2.6
187.11159	3.2
187.14694	2.6
189.09135	4.5
189.11214	8.5
193.12234	23.9
195.06441	11.4
195.11818	1.8
195.13728	4.9
197.13208	3.3
199.14766	6.3
201.12694	3.1
203.10469	2.3
205.12120	3.7
209.08084	6.6
215.14256	2.9
217.15831	11.6
219.13739	2.3
223.09586	6.6
225.12804	2.6
225.35820	2.0
227.12746	3.6
231.13892	3.2
237.11201	6.8
239.14272	2.9
243.13757	2.7
249.11104	3.1
249.14819	4.6
255.17598	2.7
257.15451	3.6
257.83240	2.1
259.16931	2.4
271.16821	1.9
273.15125	2.1
273.18414	2.9
275.16446	3.4
285.55432	1.9
339.27029	2.0
341.24728	5.6
351.23178	11.3
369.24225	33.8
387.25162	18.7
417.26257	4.6
443.27621	27.9
461.28009	100.0
462.29245	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	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.7
53.84146	1.7
55.01868	4.9
55.05266	2.0
55.05507	31.8
55.58874	1.7
55.69356	1.9
57.03417	6.2
57.07061	1.5
57.65968	1.5
65.03922	4.1
67.05497	57.0
69.03410	5.1
69.06775	1.5
69.07066	16.7
71.04977	5.4
79.05482	52.3
81.03408	53.8
81.07047	55.5
83.04961	7.9
83.08614	19.3
85.06537	3.8
91.05469	51.0
93.07031	53.8
93.48851	1.7
94.07354	1.8
95.04961	32.8
95.08597	19.5
97.06518	6.2
97.10181	10.6
103.05449	2.4
105.07019	33.7
107.04939	12.7
107.08582	24.0
109.06480	5.0
109.10170	8.5
111.04418	2.3
111.08067	7.0
113.25558	1.8
115.05462	2.4
117.07008	18.3
119.04925	4.9
119.08575	17.1
121.06489	16.3
121.10120	12.2
123.08077	4.3
123.11715	2.9
125.09611	9.7
128.06213	2.7
129.06987	16.4
131.04904	2.5
131.08554	29.2
133.06483	10.0
133.10150	13.0
135.08052	4.5
135.11671	6.0
141.06966	6.7
142.07802	3.7
143.08528	9.4
145.06464	14.3
145.10069	7.6
147.08025	7.5
147.11652	6.3
149.09607	7.0
149.13213	11.3
155.08507	7.7
157.10123	12.9
159.08075	5.7
159.11703	9.1
161.09584	3.3
163.11133	2.8
167.08588	2.4
169.10133	3.9
171.11649	5.5
173.09673	2.3
173.13190	2.5
175.11192	7.4
177.12724	6.8
181.10065	2.9
183.11722	3.4
185.09596	1.9
189.11208	6.2
193.12244	19.2
195.11852	2.1
195.13760	4.4
197.13350	3.3
199.14824	5.7
205.12270	2.2
217.15819	8.2
219.13867	2.2
227.12672	3.1
233.51418	1.8
235.66116	1.8
239.14325	2.9
249.14809	3.2
259.17068	2.3
273.14728	2.3
273.18469	2.1
323.23529	2.1
333.21951	2.0
341.24805	3.1
343.22769	3.3
349.20267	1.8
351.23172	12.8
369.24216	28.0
387.25336	12.3
417.26324	6.9
443.27841	28.6
444.28201	2.1
461.28934	100.0
462.29218	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	461.2892
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03936	5.7
54.30725	1.5
55.01857	5.8
55.05504	27.2
57.03416	7.7
65.03932	2.8
67.05497	59.1
69.03415	3.7
69.07051	17.8
71.04977	3.1
79.05484	53.3
81.02975	2.8
81.03413	33.9
81.07048	56.4
83.04980	10.8
83.08606	15.0
85.06522	3.5
87.80165	1.7
90.04205	1.5
91.05466	45.2
93.07033	44.8
93.07619	2.3
95.04959	38.4
95.08588	22.2
95.16399	1.6
97.06516	5.9
97.10149	13.9
103.05416	3.6
105.07021	37.1
107.04955	16.7
107.08578	20.4
109.06512	7.7
109.10135	7.7
111.04428	2.5
111.08063	6.3
115.05439	3.6
117.07014	18.1
119.08567	21.0
121.06507	16.6
121.10138	15.5
123.08064	4.8
123.11707	2.7
125.09634	10.6
128.06245	4.5
129.07010	18.9
129.93774	1.8
131.04909	5.5
131.08551	24.5
133.06496	8.8
133.10120	13.0
135.08049	4.3
135.11691	5.3
141.07002	5.5
143.08557	10.1
145.06461	15.6
145.10118	10.8
147.08034	8.2
147.11685	8.1
149.09607	6.8
149.13242	14.8
150.32904	2.0
153.09154	2.0
155.08490	6.2
157.10094	10.9
159.08066	7.6
159.11678	10.1
161.09578	2.3
163.11255	2.4
165.07066	2.2
166.62282	1.8
167.07079	1.9
167.08530	3.1
171.08025	3.8
171.10223	2.3
171.11633	4.5
173.13235	2.7
175.11177	5.1
177.12752	7.0
181.10080	4.2
183.11606	3.9
185.09576	3.0
185.13344	3.5
187.11160	3.5
189.09245	2.4
189.11223	7.2
189.16397	2.5
193.12209	13.7
195.13815	4.0
197.09573	2.1
197.13229	3.1
199.14772	2.6
201.12759	2.4
213.12868	3.3
217.15970	8.0
239.14185	2.8
249.14758	2.8
257.15524	3.4
275.16470	2.8
333.22104	2.3
341.24823	2.7
351.23172	16.3
369.24200	31.4
387.25342	14.8
417.26352	2.4
425.27002	2.6
443.27798	31.2
444.28317	2.8
461.28943	100.0
462.29007	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	461.3257
Annotation	Polyporusterone D
Peak:m/z	Relative Intensity
53.03918	1.1
55.01864	4.0
55.05504	8.7
57.03418	2.5
57.07074	3.7
59.04995	15.9
65.03900	1.1
67.01857	1.6
67.05160	1.0
67.05495	13.1
69.03419	1.9
69.06712	0.8
69.07061	11.8
69.31754	7.1
71.04949	0.9
71.08617	1.5
79.05479	5.3
81.07047	22.6
83.04969	1.9
83.08609	6.8
85.06542	1.6
85.10162	1.0
87.04456	4.3
91.05460	5.0
93.07032	13.6
95.08594	23.0
97.06518	7.0
97.10149	2.5
99.08074	1.0
105.07011	4.6
106.51497	0.7
107.08574	8.3
109.06503	3.3
109.10140	13.0
111.08065	2.9
111.11716	1.5
112.94147	0.6
113.09601	1.0
115.07558	4.5
117.07004	1.2
119.04984	0.7
119.08569	4.2
119.68478	0.6
121.06473	2.2
121.10126	6.2
123.08060	3.8
123.11685	7.9
125.02327	1.2
125.09625	1.7
129.06926	0.9
131.08545	1.6
133.06448	1.1
133.10110	3.7
135.04413	0.8
135.08014	4.3
135.11661	5.9
137.05960	10.9
137.09616	1.8
137.13226	3.6
139.03880	1.1
139.07521	4.9
139.11148	1.3
141.05472	0.8
142.07736	0.9
143.10645	1.2
145.10069	1.7
146.07274	0.7
147.08026	2.7
147.11700	1.3
149.05948	5.5
149.09581	1.9
149.13222	2.7
151.03960	0.8
151.07529	27.0
153.05438	2.3
153.12729	1.1
155.07013	0.8
157.10123	1.3
159.08009	2.1
160.08852	0.9
161.05981	4.8
161.09613	2.6
161.13235	1.4
163.07494	1.7
163.14778	2.5
165.05463	13.6
165.09085	14.7
167.07019	100.0
173.09633	2.1
173.13254	0.8
174.06700	0.9
174.10408	0.9
175.07513	6.3
175.11168	2.7
175.14780	0.8
177.09074	3.9
179.03403	1.4
179.07054	2.4
179.10667	3.3
181.08607	2.3
185.04633	0.8
185.09642	1.8
187.07628	1.0
187.11186	1.3
188.08269	2.2
189.09082	20.2
189.12656	1.8
191.06964	2.1
191.10617	3.8
193.08569	3.7
197.04376	4.5
199.11201	1.8
201.09140	1.7
202.09790	1.2
203.10658	12.9
205.08559	2.6
205.12215	2.5
205.19557	0.7
207.10144	7.7
215.10814	0.9
215.14268	0.8
217.12187	6.9
219.10191	1.6
221.11714	2.3
229.12050	1.0
231.13792	2.7
235.13318	1.5
235.20354	0.8
239.08876	0.9
245.15166	0.9
287.19928	0.7
289.25201	0.8
297.27841	2.1
385.27310	2.4
397.31158	1.0
401.26794	1.4
407.29605	1.3
413.30478	7.1
423.04770	0.9
425.30481	13.5
426.30051	0.9
431.31488	4.5
443.31552	25.0
444.31805	1.0
461.32605	7.6
476.36090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3257
Annotation	Polyporusterone G
Peak:m/z	Relative Intensity
53.03946	1.5
55.01856	1.1
55.05288	0.8
55.05506	8.6
57.07070	3.8
59.04981	2.0
67.01849	1.3
67.05201	0.9
67.05498	9.3
69.03410	2.6
69.07060	13.5
70.52844	0.6
70.90034	0.6
71.04971	2.7
71.08598	0.8
79.05475	5.2
81.07054	19.9
83.04960	2.3
83.08617	5.8
85.06530	1.1
91.05479	6.0
93.07033	12.2
95.04955	1.7
95.08597	20.3
97.06501	4.1
97.10154	2.9
98.20745	1.3
99.08081	1.0
102.58468	0.7
103.07029	0.6
105.07026	4.0
107.08587	8.2
109.06498	3.6
109.10143	12.7
111.08066	2.8
111.11707	1.3
117.06979	1.1
119.08572	4.2
120.18089	0.9
121.06496	1.9
121.10117	8.1
123.08038	3.2
123.11682	7.3
125.09614	2.3
131.08556	1.7
133.06502	1.4
133.10124	2.8
135.08044	2.8
135.11642	5.7
137.05978	8.2
137.09575	1.2
137.13239	3.0
138.06871	0.8
139.03862	2.0
139.07549	4.0
139.11143	1.4
141.05432	1.4
143.08525	1.0
145.10139	1.8
147.07996	2.3
147.11668	2.1
149.05959	4.1
149.09546	1.7
149.13234	4.3
151.07523	20.9
151.11151	0.8
151.14792	1.3
152.07913	0.8
153.05443	2.3
153.12743	1.5
155.08455	0.7
159.08069	2.4
159.11646	2.2
161.05983	3.1
161.09607	2.6
163.07530	1.1
163.11078	0.9
163.14781	2.0
165.05457	11.5
165.09108	5.3
166.06267	0.9
167.07027	100.0
168.07277	1.2
173.09641	1.7
174.06798	0.8
175.07573	4.0
175.11237	2.0
175.14915	0.8
177.09084	3.6
177.16351	1.7
179.06981	3.4
179.10617	2.1
181.04956	1.2
181.08577	2.2
187.07503	1.0
187.11093	0.9
189.09084	13.0
189.12740	0.8
189.16415	1.4
191.07013	3.2
191.10631	2.1
191.17906	1.4
193.08626	4.6
199.11137	0.8
201.09167	1.1
202.40332	0.9
203.10646	8.6
203.18011	0.8
205.08604	6.2
205.12212	1.8
205.19475	0.8
207.10135	8.8
215.10657	1.5
217.12238	3.3
219.10168	3.2
221.11717	2.6
229.12198	1.6
229.38995	0.8
231.13852	1.4
233.11603	1.8
235.13333	1.3
263.16510	0.7
275.16629	0.8
277.25049	0.9
279.26862	1.6
285.18607	0.9
289.24976	0.8
397.30890	1.5
401.30365	2.5
407.29538	2.2
425.30493	22.1
426.30457	1.3
443.31543	36.7
444.31821	1.9
461.32724	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	461.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38593	2.7
55.05508	18.1
57.07064	7.6
57.82531	2.5
67.05491	12.4
68.67255	2.3
69.07062	21.8
71.04995	3.6
71.08620	3.0
71.53906	3.6
72.08125	2.8
79.05466	3.7
81.07049	30.5
83.04964	5.0
83.08588	9.4
91.05450	5.5
93.07040	13.0
95.08588	24.6
97.06499	4.8
97.10154	7.9
105.07010	4.8
107.08583	13.3
109.06535	4.7
109.10160	15.5
111.11697	5.7
119.08554	6.7
121.06497	2.8
121.10125	7.6
123.08092	3.6
123.11678	8.5
131.08582	4.9
133.10161	5.7
135.08080	5.6
135.11671	4.0
137.05960	13.3
137.13252	3.7
139.07545	6.3
141.05434	3.1
149.05992	7.3
149.13254	6.1
151.07533	32.7
159.11684	3.5
161.05960	5.7
161.09613	3.6
165.05455	9.9
165.09111	8.1
166.06259	5.2
167.07018	100.0
167.08426	5.8
175.07568	4.8
177.09097	5.2
177.16403	3.4
179.07028	5.7
181.04930	4.2
181.08621	3.4
189.09081	13.1
191.10645	5.9
193.08617	3.3
200.37379	2.5
201.08914	3.1
203.10686	6.2
205.08635	4.9
205.12239	3.8
207.10167	6.6
215.10568	3.9
215.17810	2.9
217.12253	3.9
219.10135	4.2
221.11716	2.6
279.72803	3.3
382.93692	3.0
389.72672	2.7
397.30923	3.4
415.31927	17.1
425.30472	9.9
440.12704	2.6
443.31381	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	461.3257
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
52.49083	1.0
53.03931	1.5
53.41801	0.9
55.05507	9.6
57.07074	6.4
57.35989	1.0
60.91972	0.9
62.86947	0.9
67.05497	7.2
69.07056	8.9
71.04987	6.9
71.08631	2.0
71.45213	1.8
73.06542	3.9
79.05499	3.8
81.07050	17.3
83.04978	6.5
83.08611	3.1
85.06537	2.3
91.05473	3.2
93.07039	12.2
95.04940	2.2
95.08596	14.7
97.06520	1.7
97.10173	2.5
99.08131	1.7
100.41708	0.9
105.07037	2.8
107.08591	4.9
109.06512	2.6
109.10143	8.0
111.11679	1.2
117.07057	1.0
119.08585	4.0
121.06509	3.5
121.10126	5.4
123.08031	1.5
123.11678	5.6
125.06007	1.5
125.09637	1.4
128.80270	1.0
131.08580	1.6
133.10098	1.2
135.08047	2.9
135.11717	2.5
137.05957	8.8
137.13220	1.7
138.06685	1.1
139.07498	5.1
139.11200	1.2
141.05518	1.1
146.07169	1.1
147.08049	2.5
147.11647	1.2
149.06017	4.6
149.09657	1.7
149.13200	2.3
151.07532	18.7
151.14735	1.2
153.05423	1.9
157.10158	1.0
159.07999	1.8
159.11749	1.5
161.05974	3.0
161.09645	1.8
161.13188	2.1
163.14839	1.3
164.87614	1.0
165.05458	8.3
165.09062	4.9
167.07027	100.0
168.07397	1.1
173.09599	1.8
173.13252	1.0
173.98474	1.0
175.07555	4.1
177.09068	2.8
177.16339	1.6
179.07011	2.0
179.10652	2.1
181.08583	2.1
185.09673	1.4
188.08295	1.4
189.09082	10.5
191.07043	3.2
191.10677	1.9
192.07777	1.0
193.08612	3.8
199.11153	1.2
203.10674	8.3
205.08592	5.2
205.12161	1.5
207.10168	5.3
211.95244	1.0
215.10786	1.2
217.12230	2.5
219.10121	2.1
221.11658	1.2
229.12170	1.1
231.13838	2.0
233.11644	2.3
235.13329	1.1
263.35208	0.8
300.90945	0.9
369.24530	1.9
387.24976	1.6
425.30606	5.1
443.31473	14.6
461.32651	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	461.3255
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
53.03934	1.0
55.01870	1.3
55.05502	6.2
57.03417	1.1
57.07063	2.0
65.03921	1.5
67.05490	10.1
69.03413	1.3
69.07070	7.3
69.91838	2.7
71.04989	2.6
79.05480	7.8
81.03409	3.4
81.07047	12.2
81.07504	0.9
83.04986	3.1
83.08610	3.9
85.06542	1.3
91.05468	5.6
93.07026	8.6
95.01328	1.5
95.04967	3.6
95.08583	9.8
97.06535	1.8
97.10153	2.9
99.00803	8.4
99.04475	2.6
99.08092	0.9
105.07005	4.8
107.04961	1.6
107.08564	5.8
109.06531	1.7
109.10146	7.4
111.08043	1.0
113.02364	1.8
113.09616	0.7
115.05428	0.7
117.01813	0.7
117.07014	1.7
119.08553	3.7
121.06496	2.1
121.10123	3.3
123.08081	1.1
123.11736	2.8
125.06004	0.8
125.09654	1.0
128.06207	0.9
129.06949	1.4
131.08571	2.5
132.80803	0.6
133.06491	0.9
133.10104	1.8
135.04465	1.2
135.08058	1.8
135.11690	3.1
137.05969	1.3
137.09625	0.7
137.13231	1.1
139.07573	1.2
139.11192	1.0
141.05534	0.7
143.08534	1.7
145.06509	0.8
145.10133	2.1
147.11713	1.5
149.05989	1.0
149.09673	1.1
149.13274	2.7
151.07526	4.3
153.05486	2.6
155.07019	0.8
155.08513	0.7
157.10165	1.2
159.08023	0.8
159.11679	1.6
161.09663	1.0
161.13229	0.6
163.07555	2.4
163.11201	1.2
163.14922	0.7
165.05531	1.5
165.09123	1.1
167.07025	20.9
167.75000	0.7
169.10123	0.8
171.11713	1.8
173.09636	0.7
175.07545	0.7
177.09128	2.2
179.07109	0.9
179.10608	1.0
181.04924	11.5
183.06702	1.1
183.11765	0.9
189.09125	2.6
189.11134	0.7
189.12750	0.8
191.07060	1.8
191.10719	1.7
193.08606	0.8
193.12238	0.8
195.06523	26.2
199.05968	0.7
203.10818	0.8
205.08643	2.6
205.12440	0.9
207.10075	1.2
207.13776	1.2
209.08057	14.4
209.09853	1.0
209.13278	0.8
219.10129	1.4
223.09625	11.5
223.11572	0.7
229.12250	0.8
237.11160	9.3
243.68417	0.6
251.12712	7.7
265.14246	3.2
279.16019	1.3
293.17520	1.2
307.19080	1.3
321.20935	1.1
351.23254	1.8
369.24258	2.3
377.27039	0.8
387.25433	2.2
391.28491	0.8
405.26401	2.6
425.30798	1.8
443.26556	1.3
443.31815	2.9
461.32736	100.0
462.33154	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	461.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01860	3.5
55.05506	10.1
57.03431	2.2
65.03939	1.3
65.23169	0.9
67.05499	14.4
68.05849	1.7
69.03417	2.4
69.07062	7.2
70.04270	5.8
71.04996	1.8
79.05492	12.1
80.05817	1.0
81.03404	9.4
81.06620	1.8
81.07052	20.2
82.03732	1.6
83.01338	1.4
83.04971	4.1
83.08601	6.1
85.02892	2.2
85.06530	1.7
91.05463	14.7
92.05809	2.1
93.07032	12.7
95.04950	6.2
95.08596	20.9
96.05292	1.0
96.08946	1.3
97.02859	1.2
97.06541	2.8
97.10126	4.8
98.21370	1.6
99.08065	1.1
100.11250	1.5
105.07019	12.4
106.07391	1.7
107.04929	3.9
107.08580	8.2
108.08920	1.2
109.06512	3.5
109.10127	9.2
111.04420	8.2
111.08051	1.6
113.09612	0.9
115.05446	2.1
117.07019	3.9
118.07321	0.9
119.05009	1.3
119.08577	6.8
120.08874	1.4
121.06506	5.9
121.10117	6.0
122.07167	1.1
123.08054	12.8
123.11692	3.3
124.75686	1.0
125.09626	2.6
128.06219	1.6
129.06989	4.0
130.80495	1.0
131.08557	8.7
133.06467	2.0
133.10110	4.3
133.69205	0.9
135.08058	10.5
135.11694	3.7
137.05957	3.8
137.09630	1.6
137.13254	1.2
141.06969	1.7
142.07732	1.5
143.08551	2.8
145.06467	3.1
145.10127	7.9
147.08069	2.4
147.11661	3.3
149.09610	8.0
149.13252	1.8
151.07526	90.5
151.14931	1.1
152.07870	1.9
155.08530	1.9
157.10124	2.7
158.07133	1.4
159.08083	5.4
159.11708	5.2
161.05876	1.6
161.09602	2.0
162.06721	3.7
163.07510	2.3
163.11180	8.5
165.09117	9.0
165.12753	1.3
167.07028	3.9
167.08371	1.0
171.11713	1.6
173.09630	5.9
175.07539	3.1
175.11214	2.6
176.08318	8.7
177.09087	60.6
177.12613	2.2
178.09399	1.4
179.10716	1.5
187.11133	3.6
189.09096	3.8
189.12767	1.3
190.09908	6.1
191.10648	100.0
192.10892	2.5
193.12248	3.2
194.12567	2.4
195.12926	1.3
197.09705	1.2
203.10631	1.1
205.12218	61.8
213.12651	1.3
217.12282	1.5
219.13782	4.7
233.15315	1.4
283.06232	2.1
332.84979	1.0
341.24838	1.4
351.22876	3.4
368.23068	1.1
369.23972	6.7
387.24734	5.0
397.31259	1.0
405.25854	1.9
415.32007	3.5
443.27039	4.7
461.27899	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	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61588	4.2
56.17015	4.6
62.70811	4.7
63.34351	5.0
67.05482	8.2
69.03415	10.0
69.90884	17.5
72.02232	4.6
72.48169	4.3
79.77250	4.4
85.02892	13.9
86.06055	7.7
95.04945	12.1
97.02874	6.9
98.20774	6.3
105.06989	8.4
109.06538	6.9
111.04411	7.5
111.08083	5.3
112.28857	5.0
117.06031	6.2
119.08555	11.3
120.04504	6.2
121.06512	9.0
131.08539	7.6
133.06520	6.2
133.10085	9.2
135.04376	4.8
135.08008	9.1
138.05490	5.1
138.26599	4.8
144.08054	12.2
145.10117	11.7
147.04413	7.2
147.08049	9.9
159.08047	5.9
159.11676	10.0
161.09601	7.4
163.03879	11.8
171.08078	5.1
171.11577	5.5
172.08855	5.0
175.07532	11.4
175.11162	8.2
180.06427	4.4
183.28487	5.1
187.11052	5.7
187.58333	4.7
189.09366	6.0
194.85213	5.4
201.12654	7.0
247.13222	31.0
265.14322	100.0
266.14651	5.5
278.70331	5.0
287.59271	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	1.5
71.48085	0.5
71.48441	0.6
81.03387	0.8
83.04945	0.7
85.02901	1.6
97.02866	1.6
101.00910	0.6
109.02821	0.7
114.84927	0.5
119.01891	2.2
120.95370	1.1
127.03900	1.2
131.01874	1.5
138.96393	1.0
143.01868	1.2
145.00751	0.5
145.03419	1.3
151.00758	0.4
155.01857	0.9
156.97466	7.5
157.03470	0.5
161.02928	2.5
163.03943	1.2
167.01842	0.7
167.10477	0.4
169.01901	0.6
173.02946	2.8
174.98521	9.8
175.98759	0.5
179.99153	0.4
180.97408	8.8
181.01738	0.5
182.99026	0.8
183.39883	0.4
185.02953	3.5
187.04530	0.6
194.99011	0.7
196.02438	0.6
197.02953	1.2
198.98506	100.0
199.98608	4.6
201.00055	1.3
203.04010	1.2
206.98851	0.5
210.98492	4.2
213.00108	1.9
215.04027	0.8
216.99570	32.9
217.99716	1.2
222.00114	2.7
222.98502	1.1
225.00079	0.9
227.04001	0.5
228.99551	9.0
229.99556	0.6
232.03534	0.9
234.98532	4.0
240.01149	0.9
240.99554	19.4
241.99727	0.6
245.05095	4.8
247.00645	2.1
252.99495	2.6
259.00629	13.2
260.00833	0.7
263.06116	0.9
264.99362	0.9
271.00629	1.1
275.06046	1.8
277.01721	2.9
282.02252	0.9
283.00595	8.3
289.07693	0.5
301.01648	31.1
302.01831	1.7
305.07156	0.9
319.02731	6.3
342.04285	0.8
343.02679	1.3
405.91425	0.5
463.06729	7.0
463.12207	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	463.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69163	0.9
58.55993	1.1
59.27343	1.0
61.02904	1.1
70.38287	4.6
72.64082	1.1
81.03405	1.5
85.02904	2.3
91.03986	1.1
91.59726	1.0
97.02882	2.9
109.02867	2.3
119.01878	2.9
126.05692	1.0
138.96486	1.0
145.03496	2.3
156.97459	11.0
157.03490	4.3
161.02946	2.7
170.04552	1.0
173.02979	1.6
174.98535	16.1
180.97475	4.2
182.99034	7.1
184.56935	1.0
185.02968	1.1
191.80241	1.1
194.98973	6.0
196.96979	2.0
198.96667	2.6
198.98520	39.8
199.98650	2.1
201.00079	9.4
203.04004	2.9
210.98479	2.5
212.04510	2.3
213.00117	7.5
216.99506	10.4
218.50305	1.1
221.05049	7.4
222.00124	1.3
222.98537	3.5
225.00096	1.9
228.99498	1.9
233.05254	1.0
239.06091	6.8
240.99602	3.3
243.21123	1.1
263.06110	3.9
275.06073	7.3
283.00656	10.3
285.56506	1.1
301.01669	100.0
302.01981	4.7
308.53375	1.1
319.02768	7.4
333.05341	2.5
343.02692	3.1
365.09274	10.5
365.59326	3.8
366.09106	2.3
366.59250	1.5
403.04785	2.2
421.06046	3.3
463.06946	85.2
464.07288	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	463.123
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.05503	1.5
57.03424	6.1
64.98954	1.1
69.03420	1.9
69.86634	2.2
69.87045	5.0
71.04588	1.6
71.04984	30.9
81.07020	1.6
83.04971	1.1
85.02895	27.8
91.05475	1.7
91.26199	1.4
95.08576	1.5
105.06957	1.4
108.55962	1.3
121.02871	1.3
129.05470	6.2
133.10120	2.1
137.05972	1.9
151.03876	1.5
151.07487	1.8
153.01837	8.1
167.07062	2.7
186.01193	1.2
189.31099	1.4
208.34718	1.2
228.04166	1.2
229.05000	4.3
257.04410	4.0
273.03891	2.5
274.04654	4.1
285.03961	3.4
297.12579	1.4
302.04144	13.2
317.06509	100.0
318.06815	3.7
359.07413	2.3
375.54733	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	463.2838
Annotation	Kazinol K
Peak:m/z	Relative Intensity
53.03926	0.5
55.05510	3.1
57.03415	0.3
65.03922	0.4
67.05499	5.9
69.03420	0.4
69.07055	1.3
69.85730	0.9
69.86132	0.8
79.05480	2.9
81.07053	5.3
83.04974	7.8
83.08603	0.3
91.05461	4.3
93.07035	11.4
95.04978	1.7
95.08598	21.7
97.06523	1.1
98.20879	0.5
99.04491	0.6
105.07021	4.6
107.08587	5.7
109.06519	1.3
109.10151	1.9
111.04422	4.3
111.08058	4.3
113.06033	0.7
115.05426	0.4
117.07032	1.4
119.08572	5.7
121.06498	1.3
121.10130	4.4
123.08073	1.7
123.11684	2.2
125.05997	0.7
125.09607	0.3
128.06221	1.8
129.07019	2.8
130.07765	0.6
131.08554	4.2
133.06395	0.5
133.10118	6.6
134.10905	0.8
135.08040	0.7
135.11679	3.6
137.05943	0.5
137.09663	0.3
139.07523	1.9
141.06982	1.4
141.09094	0.6
142.07776	2.2
143.08556	4.9
144.09322	0.8
145.06462	0.8
145.10110	5.5
147.07994	0.6
147.11676	1.7
149.09590	0.5
151.07452	0.4
153.06981	0.9
154.07747	1.0
155.08525	4.5
156.09354	2.1
157.06482	0.8
157.10124	4.9
159.08025	1.4
159.11674	5.1
161.09590	0.8
161.13275	0.5
165.06976	1.4
167.07036	1.6
167.08565	2.1
168.09319	1.1
169.06496	0.8
169.10115	7.1
170.10899	2.4
171.08038	1.9
171.11673	3.8
172.08824	0.7
172.12425	0.5
173.05951	0.5
173.09674	1.4
173.13249	1.3
175.07564	0.9
175.11128	0.4
178.07724	0.5
179.08578	1.7
180.09317	1.0
181.06517	0.9
181.10126	1.8
182.10902	1.1
183.08034	2.5
183.11676	5.4
184.12375	0.3
185.09605	0.8
185.13225	3.9
186.10426	1.3
187.07527	1.5
187.11139	2.0
187.14767	2.7
192.09314	0.7
193.10147	1.8
194.10867	0.6
195.08005	1.1
195.11659	3.0
197.09686	1.7
197.11542	0.5
197.13217	3.0
199.07478	0.6
199.11186	0.8
199.14781	0.5
200.11963	0.5
201.09128	0.7
201.12723	0.7
203.10585	0.5
205.10155	0.7
206.10895	0.5
207.08072	0.9
207.11623	2.1
208.12404	0.4
209.09615	1.0
209.13272	2.1
211.11168	2.4
211.14781	0.6
213.09065	0.6
213.12657	1.6
215.10654	3.1
215.14326	1.2
217.12123	0.5
219.11719	0.8
220.12471	0.7
221.09775	0.7
221.13268	1.6
222.14102	0.5
223.11197	0.7
223.14777	1.5
225.09042	0.8
225.12756	0.4
227.10654	0.4
229.12248	2.4
231.11771	0.5
231.13776	2.4
233.13321	0.4
234.10539	0.6
235.11189	0.8
235.14740	2.1
237.12720	0.8
237.16360	0.7
239.10640	0.7
239.18022	0.4
241.12279	1.2
243.13715	2.4
245.13278	0.5
247.11147	0.6
247.14787	0.6
249.12816	1.1
249.16406	0.9
251.17810	0.4
253.12436	0.4
255.13835	2.0
261.16330	0.4
263.14270	1.3
263.17969	0.9
267.13742	1.2
269.15335	0.5
277.19470	0.9
279.13956	0.7
281.15323	2.1
283.16910	0.8
295.16742	0.4
303.17300	0.4
305.19226	0.6
309.18567	0.9
321.18698	0.4
323.20007	1.4
403.22720	0.5
417.27768	1.2
421.23932	0.6
445.27139	2.3
463.28378	100.0
464.28702	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97236	2.0
52.18208	2.1
53.03925	3.3
55.05505	17.2
57.03415	3.5
57.07047	7.1
67.05491	31.4
69.03387	2.5
69.07054	23.2
69.23321	17.6
69.23742	6.7
74.08046	2.2
79.05481	14.2
80.28841	1.9
81.07048	49.3
83.04970	10.6
83.08598	10.2
85.06532	17.2
91.05466	13.0
93.07037	31.4
93.19199	2.0
95.04924	3.3
95.08598	70.0
97.06495	2.4
97.10162	5.5
98.20753	4.1
98.32024	1.9
104.09256	2.2
105.07034	13.2
107.08583	18.1
109.06499	5.3
109.10138	20.3
111.04421	7.4
111.08051	6.9
111.11679	3.4
117.06987	4.7
119.08586	12.0
121.06493	5.6
121.10130	14.2
123.08059	7.7
123.11691	18.3
125.06003	2.8
128.06190	10.1
129.07008	22.7
131.08514	7.7
133.10126	10.2
135.08023	5.3
135.11707	12.0
137.05980	10.9
137.13214	7.5
139.07527	7.9
141.05435	3.4
141.06978	7.0
141.09116	5.3
142.07762	5.1
143.08540	27.7
145.10095	8.2
147.08075	3.9
147.11646	7.0
149.05933	4.9
149.13260	3.8
151.07513	17.9
153.06923	5.5
154.07735	6.3
155.04904	2.4
155.08546	20.1
156.09290	15.5
157.06480	3.2
157.10063	6.6
159.08018	3.0
159.11671	8.7
161.05931	2.1
161.09660	2.7
161.13249	5.8
163.14841	2.6
165.05440	12.3
165.06866	4.4
165.09099	4.7
166.07802	2.8
167.07039	100.0
167.08534	11.6
168.09322	4.6
169.06445	2.8
169.10115	69.3
170.10901	19.1
171.08028	7.0
171.11708	26.6
173.05966	7.8
173.09555	2.5
173.13239	2.5
175.07483	3.8
175.11142	2.5
177.09027	3.0
179.08519	6.0
179.10681	2.8
181.10092	8.5
182.10870	2.6
183.08112	4.3
183.11681	52.7
184.12163	3.0
185.09581	4.2
185.13235	27.2
187.07509	7.3
187.11084	5.7
187.14851	3.3
189.09111	5.3
191.06998	4.8
191.08594	2.4
192.09251	3.2
193.08551	4.2
193.10100	7.1
194.10945	5.2
195.08023	4.3
195.11658	15.4
197.09584	9.0
197.13245	10.2
199.07494	3.4
199.14795	2.5
201.08905	2.6
201.12762	3.1
203.10677	4.2
205.08539	4.7
206.10962	5.3
207.10100	6.0
207.11685	5.9
209.13173	9.9
211.11118	8.7
211.14737	5.5
213.09123	11.8
213.12723	4.2
215.10641	47.2
217.12233	2.5
219.10001	2.9
219.13498	2.1
220.12379	3.4
221.11383	2.5
221.13374	10.6
223.14795	9.5
225.09038	3.2
229.12212	9.2
231.88773	2.3
235.14745	6.8
235.16890	4.8
237.16338	5.3
239.10635	7.5
241.12257	6.3
243.13782	3.3
247.11131	2.7
249.12704	6.2
249.16322	4.8
253.12219	2.4
255.13815	25.2
267.13785	9.1
269.15439	2.8
276.93539	2.5
277.19641	3.7
279.21008	4.1
281.15375	12.1
283.16974	3.8
295.17001	3.3
321.18536	3.3
323.20038	6.2
403.22604	8.8
417.27780	9.6
421.23666	26.0
427.27017	3.8
427.32050	10.2
445.27301	29.8
445.33133	9.4
463.28363	96.2
464.28830	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01866	5.1
55.05500	21.1
57.07062	7.1
65.03944	3.0
67.05488	38.5
68.64072	2.5
69.07063	18.4
69.20801	18.7
69.21227	8.1
71.04990	2.8
77.35206	2.5
79.05479	26.8
79.06231	2.1
81.03417	2.7
81.07050	60.6
83.04974	17.4
83.08620	10.1
85.06536	6.2
91.05455	33.2
91.48239	2.3
93.07025	48.5
95.04952	11.4
95.08592	78.7
97.06525	6.7
97.10159	7.8
103.05465	2.9
105.07016	36.0
106.00093	2.3
107.05013	2.6
107.08578	37.5
109.06499	11.2
109.10123	23.1
111.04410	8.7
111.08044	9.5
116.06192	2.6
117.07021	13.3
119.08567	28.7
121.06499	11.4
121.10141	23.6
121.41292	2.2
123.08067	8.8
123.11705	9.7
125.05965	4.7
127.03835	2.8
128.06238	8.5
128.46672	2.3
129.07007	11.6
130.07765	3.2
131.08553	36.8
133.06453	3.6
133.10112	33.4
135.08032	10.8
135.11664	13.3
137.05960	10.3
137.09641	3.8
137.13258	6.8
139.07523	10.0
141.07001	7.6
141.09137	3.5
142.07793	9.4
143.08539	26.6
144.09340	3.3
145.06471	5.7
145.10103	37.7
147.08006	7.3
147.11662	9.8
149.05927	6.1
149.09581	5.4
149.13287	7.8
151.07503	15.9
153.05347	2.4
153.06972	3.8
154.07674	3.0
155.08475	18.0
156.09325	10.4
157.10100	18.8
158.10736	2.4
159.08031	14.7
159.11670	26.9
161.05891	2.6
161.09564	11.8
161.13220	4.7
163.07413	2.4
165.05460	13.5
165.06808	4.6
165.09142	5.9
166.07782	2.9
167.07027	100.0
167.08473	5.9
168.09279	5.7
168.77904	2.5
169.10095	36.0
170.10857	7.3
171.08069	7.8
171.11678	20.9
172.08838	3.9
173.09637	11.0
173.13232	9.6
175.07529	5.5
175.11206	5.2
177.09137	6.2
178.07796	3.1
179.08504	6.2
180.09341	3.3
181.06461	3.2
181.10118	10.9
182.10905	3.2
183.08083	3.0
183.11682	27.0
185.09627	11.2
185.13216	23.7
186.10381	2.8
187.07527	3.4
187.11156	14.9
187.14827	8.3
189.09116	10.8
189.12688	5.9
191.07025	3.2
191.10638	4.9
193.08511	4.4
193.10138	8.3
194.10809	3.8
195.07974	3.7
195.11642	10.9
196.08871	3.2
196.12360	3.1
197.09613	8.5
197.13184	13.2
199.11188	9.2
199.14841	3.7
201.08990	2.9
201.12743	12.1
203.10677	5.4
203.14381	3.2
205.12209	5.0
206.10986	3.3
207.08034	3.6
207.10013	5.0
207.11769	5.3
207.13751	2.9
209.13263	9.9
211.11165	16.1
211.14752	4.2
213.12688	15.0
215.10686	10.2
215.14307	14.2
217.12231	8.1
217.15749	3.9
219.11804	4.0
219.13690	4.4
221.13223	6.7
223.11197	3.3
223.14772	7.4
225.12640	6.0
227.14281	6.0
229.12271	24.0
229.15875	2.7
231.13800	9.5
233.15337	4.8
235.14725	3.7
239.14330	4.2
241.12320	3.7
243.13786	18.0
245.13258	2.9
245.15468	5.0
247.17062	4.1
253.12262	4.7
255.13805	11.4
263.14322	3.6
271.16904	3.4
277.19470	4.8
279.21051	3.6
281.15341	5.0
287.17792	3.6
295.20370	3.9
305.19260	11.4
305.22131	2.2
321.18405	3.8
323.20029	18.5
331.20438	2.8
349.21631	9.4
371.25821	4.6
379.26260	15.3
389.26175	3.2
399.26886	6.7
417.28137	11.7
421.23590	3.3
427.26251	13.7
427.31702	4.5
435.29144	3.5
445.27414	36.7
445.33136	5.7
446.28125	2.8
463.28305	45.7
463.33820	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03931	10.1
54.56650	2.0
55.01852	5.7
55.05504	26.7
57.03413	5.4
57.07048	2.5
65.03934	4.9
67.05496	80.4
68.36755	1.8
69.03402	3.0
69.07057	25.1
69.41800	14.4
71.04968	6.1
72.89327	2.0
78.28219	1.8
79.05484	53.4
81.03403	6.6
81.07048	100.0
82.07395	2.5
83.04984	14.3
83.08615	18.1
83.83672	1.9
85.06525	7.0
86.15173	1.8
91.05472	36.9
93.07034	91.0
95.04958	13.6
95.08596	77.5
95.81853	1.8
97.06510	14.8
97.10140	4.8
99.04433	2.2
99.08078	4.1
105.04529	2.0
105.07015	31.1
107.04945	7.0
107.07848	3.1
107.08577	48.5
109.06464	11.7
109.10136	14.5
111.04428	4.2
111.08064	14.8
113.05997	3.8
117.06995	14.5
119.07751	3.0
119.08545	18.6
121.06485	8.7
121.10124	31.0
123.04430	1.8
123.08048	15.1
123.11690	6.2
125.05988	3.1
125.09618	4.2
128.06201	5.6
129.06981	11.2
130.07765	2.5
131.08536	17.6
133.06494	2.5
133.10110	23.9
135.08069	7.0
135.11681	15.5
137.05968	2.1
137.09605	5.0
139.07520	6.6
139.11172	2.0
141.06943	6.4
141.09087	8.2
142.07761	5.9
143.08551	11.7
145.06499	3.9
145.10097	17.1
147.08051	3.9
147.11671	8.3
149.13237	39.0
151.11105	4.8
153.06958	3.3
154.07823	4.8
155.08546	10.3
155.10669	4.0
156.09311	4.7
157.10104	17.6
159.08041	4.1
159.11668	24.4
161.09636	3.9
161.13214	3.7
163.11176	7.5
165.07040	4.5
166.07758	2.1
167.07025	8.2
167.08543	6.6
168.07388	4.1
168.09288	3.8
169.10117	28.1
170.10851	3.2
171.08025	2.2
171.11656	11.3
173.09641	4.5
173.13235	5.5
175.11195	4.4
177.12750	9.9
179.08566	6.3
179.10643	2.5
180.09282	4.7
181.10078	9.0
183.11693	14.0
185.13257	8.2
187.11076	3.4
189.11172	2.4
191.14359	2.4
192.09331	4.8
193.10104	9.2
194.10860	4.8
195.11687	12.8
195.13805	16.3
197.13283	6.4
199.11191	3.6
199.14828	2.4
201.12759	3.4
205.10188	2.4
206.10915	5.5
207.11749	10.3
207.13455	2.1
208.12476	2.9
209.13208	15.8
211.11189	3.9
211.14818	3.6
213.09152	2.9
213.12854	3.8
215.10660	14.7
215.14374	2.1
216.09209	2.3
217.12215	3.7
219.11702	5.6
219.13808	14.5
220.12459	4.9
221.09525	2.7
221.13170	13.2
222.13895	3.1
223.14789	10.3
224.09096	2.1
225.09097	4.2
225.12878	2.6
227.10794	2.6
227.12805	5.0
229.12202	7.0
233.13240	5.4
235.11121	2.2
235.14781	12.9
236.15619	2.2
237.12781	3.5
237.16331	8.3
243.13814	4.6
245.13280	3.0
248.86743	2.3
249.16412	7.5
251.14247	2.4
251.18013	2.7
253.12096	2.3
255.13870	3.2
257.15378	2.8
261.16428	3.9
262.17154	2.0
263.14780	2.1
263.17914	6.1
267.13754	8.5
269.15268	5.8
275.18130	3.0
277.16190	4.4
277.19583	12.2
279.17499	2.1
281.15335	8.5
283.16818	3.9
289.19781	2.3
293.15289	3.6
295.16992	8.1
303.20923	4.0
305.18924	4.9
307.16980	4.4
321.18433	4.4
322.18970	2.8
323.19965	25.8
331.20612	4.2
335.20071	3.8
349.21362	2.3
364.24075	2.4
381.25174	2.5
399.26767	7.8
417.27856	22.0
419.29465	2.1
427.26324	10.6
445.27002	19.8
463.29364	78.0
464.29147	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2835
Annotation	Cochloxanthin
Peak:m/z	Relative Intensity
52.11940	4.1
55.05505	10.2
55.13158	4.3
57.03411	4.3
58.31382	5.0
65.17434	4.6
66.64147	4.1
67.05489	29.8
69.07059	9.4
70.57616	8.8
70.58012	8.6
79.05489	17.2
81.07030	25.2
83.04975	19.2
91.05475	21.2
93.07038	34.7
94.27711	4.9
95.04942	10.8
95.08598	74.0
95.57554	4.1
97.06471	6.4
105.07007	35.4
107.08588	38.1
109.06486	5.1
109.10143	25.5
111.04462	10.6
111.08068	8.7
114.40179	4.8
117.07008	12.2
119.08560	29.2
121.10110	26.4
123.08035	7.5
123.11681	4.6
128.06207	8.3
129.06984	16.4
130.07735	7.2
131.08527	24.9
133.10132	31.8
135.08067	4.7
135.11682	12.3
139.07498	7.4
141.07004	10.7
142.07811	9.6
143.08516	39.2
144.09335	5.8
145.06555	5.3
145.10103	31.3
147.08131	7.0
147.11655	13.3
155.08551	19.8
156.09331	10.1
157.10118	37.1
159.08005	10.4
159.11659	27.3
161.09618	12.6
161.13214	8.0
165.06987	6.1
166.07742	4.4
167.08539	11.8
169.10126	29.9
171.07936	5.5
171.11664	31.1
173.09656	6.0
173.13242	13.5
175.11230	5.4
179.08498	10.6
180.09378	7.5
181.10124	17.1
182.10938	9.8
183.08075	12.9
183.11664	28.8
185.13237	13.3
187.11221	5.7
187.14761	5.7
189.12730	4.2
191.08603	4.4
192.09322	9.2
193.03732	4.5
193.10049	12.5
195.08058	7.0
195.11644	28.3
197.09599	4.9
197.13222	22.1
199.11185	7.1
201.12717	7.7
205.10046	4.5
206.10866	7.2
207.11655	20.1
208.12497	9.7
209.09544	5.7
209.13193	18.6
211.11095	12.3
211.14867	9.6
213.12740	11.4
215.10672	12.1
217.12209	11.2
220.12498	6.2
221.13147	24.8
223.14763	22.9
225.12769	11.6
225.16418	5.0
227.14265	7.8
229.15874	6.1
231.11647	6.4
231.13898	12.3
233.13206	9.4
235.14798	12.1
237.16437	13.7
238.16989	4.6
239.18008	6.2
243.13802	11.0
247.11131	6.3
247.14828	6.5
249.12669	7.6
249.16339	9.7
253.12183	5.1
263.14270	12.6
267.13828	9.2
269.15515	6.9
277.15912	5.9
277.19531	22.8
281.15295	8.1
283.16953	9.2
287.17615	7.3
291.17551	7.1
295.16977	6.1
303.17279	8.0
303.20978	5.3
305.18951	31.9
323.19827	28.5
331.20526	5.6
349.21536	6.3
403.26425	7.4
417.27896	41.2
427.26129	28.1
445.27255	60.9
463.28351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.5
55.01860	3.2
55.05502	20.2
57.03422	4.6
57.07056	5.1
59.04990	3.1
65.03926	3.6
66.72238	2.5
67.05169	2.5
67.05495	40.6
69.03440	4.6
69.07061	12.2
70.74067	8.8
71.04984	2.6
71.79208	2.2
72.55886	2.5
75.04455	3.5
78.93158	2.6
79.05483	21.8
81.07047	34.6
81.73663	2.5
83.04985	22.8
83.08586	6.0
91.05466	28.8
93.07034	46.8
95.04926	11.0
95.08599	95.1
97.06503	5.8
99.04391	3.5
101.86636	2.3
103.05470	2.6
105.07014	30.5
107.08581	39.9
109.06494	7.2
109.10153	23.5
110.47151	2.4
111.04424	8.3
111.08050	19.4
115.05381	3.1
117.07012	13.1
119.08568	28.1
121.06462	6.8
121.10126	25.2
123.08031	9.9
123.11670	5.5
125.05974	3.0
128.06181	16.5
129.06985	23.5
131.08557	44.7
133.10104	24.2
135.08043	3.9
135.11673	13.5
137.13159	3.3
139.07523	12.6
141.07004	20.0
141.09094	6.3
142.07797	13.0
143.08549	42.2
144.09277	3.6
145.06505	4.6
145.10107	29.3
147.08009	4.7
147.11655	11.5
149.13240	9.9
151.11153	2.8
152.06230	3.5
153.06937	14.9
154.07701	13.7
155.08543	40.8
156.09323	21.1
157.06473	8.0
157.10135	20.3
159.08040	7.1
159.11690	22.1
161.09625	6.4
161.13223	8.9
163.11147	3.5
165.06953	11.7
166.07707	8.8
167.07114	4.7
167.08510	18.7
167.11713	2.4
168.09383	19.1
169.06433	4.7
169.10107	67.6
170.10941	18.6
171.08034	19.5
171.11685	38.3
172.08752	3.6
173.05991	5.6
173.09581	3.7
173.13280	6.4
175.11185	5.5
177.09068	3.1
177.12769	3.3
178.07808	7.7
179.08562	17.2
180.09282	9.2
181.06465	8.1
181.10052	18.8
182.07239	5.9
182.10886	6.0
183.08029	9.4
183.11681	52.4
184.12292	4.5
185.09587	7.6
185.13243	33.9
186.10356	2.7
187.07495	5.4
187.11171	11.2
187.14787	3.8
189.12706	2.8
191.08516	5.6
192.09244	12.6
193.10117	18.4
194.10847	7.6
195.08035	10.1
195.11714	22.0
196.08777	8.1
197.09587	25.5
197.11497	4.1
197.13216	25.8
199.11131	5.1
199.14868	6.3
200.11766	4.2
201.12714	4.4
203.57372	3.1
205.10107	5.9
206.10905	6.2
207.08080	4.9
207.11620	14.9
208.12392	4.8
209.09587	9.8
209.13257	18.8
210.13763	2.9
211.11145	57.5
211.14738	7.6
213.09128	3.2
213.12741	13.7
215.10674	28.3
215.14275	7.4
217.12212	2.6
219.08080	3.7
219.11685	7.1
220.12433	5.6
221.09589	10.9
221.13202	17.6
223.11168	12.2
223.14787	10.8
224.15440	3.5
225.09074	7.3
225.12708	6.0
227.14291	5.2
229.12273	15.0
231.13788	8.2
233.13123	8.7
233.15288	4.9
234.10385	3.4
234.13939	4.1
235.11139	6.5
235.14749	13.4
235.16855	3.3
237.12712	7.1
237.16302	6.4
239.10606	9.3
239.14182	2.9
239.17815	5.3
241.12206	7.2
243.13831	4.2
245.13280	4.0
246.10275	3.0
247.14760	2.7
248.12076	4.1
249.12662	6.5
251.14285	4.5
253.12227	9.3
255.13815	27.2
261.12686	3.1
263.14359	9.7
263.17972	4.1
265.12198	2.8
265.15710	3.6
267.13779	7.8
269.15292	3.6
277.15903	3.6
277.19470	9.7
279.13669	3.3
279.21207	3.3
281.15405	21.6
283.17038	3.1
289.15857	3.2
305.18973	8.0
309.18478	3.6
321.18436	3.4
323.19971	10.4
331.20566	3.2
379.26276	66.0
417.27817	8.1
421.23608	7.0
427.26358	14.3
445.27237	40.1
445.32797	5.0
463.28311	100.0
464.28793	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01848	2.8
55.05507	11.0
57.03423	2.9
61.40913	1.5
65.03927	2.4
67.05495	34.8
67.06030	1.5
69.07051	9.3
69.50927	8.9
71.04977	3.2
78.94330	1.3
79.05485	21.5
81.03411	2.6
81.07048	33.7
82.73541	1.4
83.04983	15.0
83.08593	5.9
85.06517	3.3
91.05470	19.1
93.07030	33.6
95.04976	9.1
95.08592	43.2
95.33040	1.4
96.08928	1.8
97.06532	3.7
97.10147	2.5
99.04439	1.8
105.07020	18.4
107.04926	1.6
107.08580	26.3
109.05663	1.3
109.06482	4.8
109.10142	6.5
111.04445	7.6
111.08060	7.2
113.05970	2.7
117.07000	9.9
119.08567	16.4
121.06440	4.2
121.10137	12.2
123.08025	4.5
123.11658	3.1
125.09546	2.4
128.06161	3.5
128.27655	1.4
129.06961	6.5
131.08571	13.6
133.10118	17.1
135.08002	6.1
135.11697	8.8
137.05862	1.9
139.07492	2.8
141.06979	4.3
142.07733	6.7
143.08530	14.4
144.09259	2.8
145.10117	14.0
147.08051	2.7
147.11659	5.9
149.09604	3.5
149.13264	9.0
153.07048	2.0
155.08549	9.6
156.09332	7.2
157.10091	16.3
158.10722	1.7
159.08018	5.5
159.11662	14.3
161.09589	4.7
161.13268	3.6
163.11104	2.0
165.07074	3.4
167.07086	2.9
167.08513	4.5
168.09300	3.2
169.10110	13.5
170.10910	2.7
171.08046	1.7
171.11662	16.5
173.09613	6.5
173.13200	5.6
175.11137	2.9
178.07800	2.0
179.08527	3.9
180.09280	2.7
181.10120	10.8
182.10835	2.9
183.11673	15.7
185.09587	5.8
185.13277	7.2
186.10265	1.8
187.11116	4.6
187.14757	4.8
189.09135	1.9
189.12711	3.4
191.08641	1.7
192.09314	1.9
193.10114	8.8
193.11827	1.3
193.12234	1.3
194.10907	2.6
195.11658	10.8
195.13576	2.6
197.09627	2.4
197.13167	8.2
199.11185	7.8
199.71902	1.4
200.11809	1.5
201.08977	2.7
201.12706	5.3
203.10614	3.3
204.09297	1.7
205.10091	2.8
206.10832	6.2
207.11644	11.4
208.12349	2.0
209.09647	2.4
209.13269	8.3
211.11134	4.8
211.14821	3.2
213.12756	6.1
215.10632	2.3
215.14232	4.3
217.12256	2.7
219.11633	4.8
219.13736	3.7
220.12411	3.8
221.13225	15.7
223.11143	1.6
223.14790	4.0
225.12585	7.0
227.10590	3.5
227.14301	5.4
229.12187	3.1
229.15829	2.1
231.11726	2.4
231.13747	8.8
232.12392	1.8
233.13142	4.4
233.15297	2.4
234.13820	2.0
235.11197	2.6
235.14792	5.7
236.15411	1.5
237.16386	2.9
239.14325	3.5
243.13736	5.1
247.14687	4.9
248.15553	2.2
249.12679	4.3
249.16254	4.2
251.14169	1.7
251.17975	1.8
255.13824	4.3
261.16522	2.3
263.14297	3.4
263.17819	5.7
265.15735	3.1
267.13626	2.2
269.15417	8.2
277.15823	3.9
277.19327	2.5
281.15393	5.5
283.16852	2.3
287.17935	2.6
295.08456	1.5
295.16879	4.2
303.17444	1.7
305.18814	6.3
307.16919	2.0
309.18637	2.0
321.18604	2.6
322.19214	1.9
323.19968	13.4
325.51733	1.5
331.20609	3.4
349.21533	3.5
382.13504	1.4
385.21341	2.1
417.27631	6.6
427.26239	8.9
445.27350	15.5
463.28366	100.0
464.28751	6.3
477.80966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01864	3.3
55.05505	11.9
56.98602	1.0
57.07062	3.2
65.03929	2.9
66.06631	1.3
67.05498	29.3
69.03415	1.9
69.07063	12.3
70.60302	3.4
71.04984	3.6
77.03918	1.3
79.05482	21.9
81.03403	2.2
81.07050	44.1
83.04962	11.0
83.08607	6.0
85.06545	5.9
91.05470	21.5
93.06452	2.6
93.07035	40.5
95.04962	8.7
95.08595	35.3
95.09216	1.3
97.06535	4.2
97.10176	3.0
99.04496	1.7
99.08080	1.6
105.07017	16.8
107.04942	2.0
107.08579	22.3
109.02872	1.7
109.06504	28.9
109.10141	14.2
111.04424	7.1
111.08079	7.3
111.11678	1.2
113.06003	1.3
115.05412	2.6
117.06992	9.4
119.08575	14.9
121.06516	6.1
121.10143	9.8
123.04401	1.5
123.08075	4.5
123.11711	4.7
127.07534	2.8
128.06213	6.2
129.06989	10.2
131.08565	16.7
133.06488	1.9
133.10138	14.6
135.08069	5.3
135.11650	6.8
137.05957	10.6
137.09584	1.6
137.13297	1.3
139.07549	8.5
141.06979	4.8
142.07739	6.6
143.08545	25.0
144.09320	2.7
145.06490	5.2
145.10121	17.1
147.08012	5.5
147.11690	6.7
149.05991	5.0
149.09622	2.8
149.13226	10.8
153.06982	3.9
154.07651	1.1
155.07196	8.7
155.08397	8.9
156.09370	5.5
157.06467	5.7
157.10109	18.0
158.07266	1.4
158.10809	1.3
159.08052	8.3
159.11667	14.9
161.09613	5.0
161.13263	3.7
163.07617	1.3
163.11108	2.1
165.07005	3.3
167.07028	100.0
167.08437	4.9
168.09267	1.9
169.10104	9.3
170.07272	1.5
170.10918	4.6
171.08020	25.4
171.11647	13.1
172.08832	3.0
173.09601	7.2
173.13206	8.3
175.11145	3.5
177.09036	1.7
177.12711	2.7
179.08565	4.5
180.09297	1.7
181.10078	6.3
182.10829	1.6
183.08069	8.5
183.11646	8.7
185.09630	10.1
185.13223	19.5
186.10376	1.3
187.11206	6.0
187.14812	3.3
189.09093	2.0
189.12738	4.1
191.10655	1.5
192.09338	1.7
193.10153	4.1
195.08087	2.2
195.11707	7.8
195.13754	2.6
196.12381	1.7
197.09605	4.2
197.13310	5.8
198.10365	5.0
199.11165	9.9
199.14809	3.8
200.11868	1.4
201.08981	1.7
201.12740	7.8
203.10666	2.1
203.14340	2.4
205.10226	1.6
205.12172	1.8
207.11722	4.5
209.09703	2.5
209.13240	5.7
210.10410	1.3
211.11247	5.8
211.14824	5.1
213.12718	38.1
215.10811	2.0
215.14317	7.4
217.10225	1.6
217.12259	3.7
217.15904	1.5
218.10780	1.5
219.11780	2.7
219.13626	2.2
221.13274	4.0
223.11165	3.2
223.14777	3.8
225.12869	5.9
225.16299	1.6
227.14301	11.7
229.12355	2.9
231.11726	2.9
231.13820	9.7
233.13286	2.9
233.15392	3.0
234.14096	1.9
235.14885	3.6
237.12825	2.1
237.16341	2.9
239.14359	3.0
241.19516	1.5
245.15363	2.4
247.14738	3.3
249.16414	3.4
251.14265	1.6
255.13960	1.2
257.15265	1.4
261.12726	1.5
263.14438	2.2
263.17859	2.5
265.15833	3.8
267.17429	1.5
272.11066	1.2
275.14694	1.1
275.17923	1.4
277.15738	1.5
279.17627	1.6
279.20950	2.4
289.19537	2.5
291.21021	1.2
297.18469	2.2
297.27869	6.0
303.17334	1.6
305.18942	2.8
307.17368	1.3
307.20508	6.7
309.21832	6.6
313.19525	1.5
323.20105	2.3
325.21585	1.5
328.21689	2.2
331.20432	1.7
349.21414	1.3
385.21509	2.1
399.26874	1.6
403.22607	3.6
409.25223	1.8
417.27887	6.5
427.26447	11.1
435.28851	4.5
445.27313	18.4
445.33035	1.5
446.27863	1.6
463.28488	40.3
464.29312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.5
55.01857	6.0
55.05509	26.2
57.03419	5.2
57.07061	16.1
59.12492	5.0
65.83131	5.8
67.05495	33.1
69.07061	37.2
71.04956	5.3
71.08624	5.5
71.53907	7.2
72.93806	4.7
79.05486	28.4
81.07049	73.3
83.04979	34.0
83.08601	17.2
85.02914	5.0
85.06542	8.8
85.10146	4.8
86.46105	4.8
91.05476	35.3
93.07028	51.7
95.04939	13.8
95.08598	86.9
97.10175	10.1
105.07012	44.0
107.04889	5.9
107.08598	45.9
109.06496	12.5
109.10155	30.8
111.04427	19.0
111.08046	7.5
117.06979	7.9
119.04926	4.1
119.08563	37.8
121.06480	13.4
121.10126	22.7
123.08021	7.2
123.11666	20.8
125.05981	5.4
129.06999	10.4
131.08528	26.6
133.06496	5.2
133.10110	32.0
135.08015	7.1
135.11711	11.7
137.05962	14.5
137.09532	4.3
137.13234	5.3
138.06718	9.3
139.07541	14.2
142.07741	10.1
143.08536	20.1
144.09311	5.3
145.06387	4.6
145.10049	32.2
147.08086	12.4
147.11635	13.6
149.05975	8.4
149.09532	7.1
149.13248	5.2
151.07556	15.0
153.05464	28.9
155.08540	15.0
156.09270	6.9
157.10115	21.7
158.10861	5.4
159.08066	9.7
159.11694	26.4
161.05978	5.2
161.09645	15.7
161.13243	6.9
165.05464	20.7
165.09099	8.9
166.06273	17.3
166.07748	4.4
167.07040	100.0
167.08447	10.9
168.09355	6.4
169.10114	18.0
171.11670	26.2
173.09610	19.3
173.13213	17.7
175.11130	10.4
181.05052	6.5
181.08556	6.1
181.10071	5.8
183.06549	11.0
183.11697	20.6
185.09573	5.4
185.13194	25.3
187.11150	13.4
187.14799	14.6
189.09024	5.9
189.12756	7.4
191.10675	7.7
193.10126	10.6
195.11700	7.0
197.13174	10.1
199.06006	38.3
199.11255	7.2
199.14825	7.9
201.12692	13.7
203.10628	7.6
203.14056	5.1
207.09995	7.8
209.13287	8.2
211.11258	6.0
213.12700	13.2
215.14314	17.4
217.12308	6.0
219.13835	5.0
221.13283	11.2
227.14326	6.0
229.12218	29.2
229.15883	5.3
231.13803	16.0
233.15332	7.6
235.14737	5.7
243.13838	23.7
245.15262	6.1
249.16394	8.4
265.15942	5.6
277.15024	5.6
277.19299	6.1
285.07791	6.1
295.20554	6.9
305.18893	8.5
323.20020	25.8
349.21490	10.1
389.26624	10.5
417.27789	18.2
427.26563	9.2
427.31970	18.1
445.27325	35.7
445.33096	12.1
445.52365	5.6
463.28342	54.9
463.34052	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03951	4.5
53.20430	0.9
55.01869	3.7
55.05505	21.4
57.03434	7.9
57.07074	3.1
65.03940	3.2
67.05498	80.6
69.07061	27.5
69.45921	9.6
71.01384	1.3
71.04996	5.8
71.08648	1.5
79.05486	52.0
81.03424	3.7
81.07048	100.0
82.07392	1.8
83.04975	9.4
83.08609	18.3
85.06521	4.8
91.05470	31.2
93.07034	76.0
95.04963	11.0
95.08600	28.5
95.09215	1.4
97.06530	14.0
97.10188	2.5
99.04485	1.3
99.08112	3.2
105.07011	13.8
107.04973	2.5
107.08585	40.7
108.08918	1.3
109.06503	6.9
109.10153	6.8
111.04469	1.5
111.08065	9.7
113.09616	1.1
117.06999	13.2
119.08594	6.0
121.06532	3.6
121.10130	20.5
123.08128	1.5
123.11740	3.8
125.09612	1.7
129.07016	2.1
130.07646	0.9
131.08556	14.2
133.10094	12.4
135.08080	3.4
135.11685	13.2
136.12004	1.0
139.07504	1.3
139.11191	2.0
141.07005	1.1
143.08575	1.5
145.10197	3.9
147.11716	1.3
149.09691	1.2
149.13240	44.5
150.13673	1.2
151.11285	1.4
155.08554	1.1
156.09157	1.2
157.10216	2.2
159.11684	19.2
163.11186	2.3
166.96346	1.0
167.07108	1.7
167.14336	1.1
169.10121	2.1
171.11714	1.8
177.12769	11.5
181.10313	1.2
185.13229	1.3
195.13779	21.3
197.13397	1.3
199.11293	1.2
201.12775	1.2
213.12953	1.6
213.14975	3.0
219.13768	5.6
227.12845	1.4
231.13684	1.5
263.59933	1.0
323.20242	1.9
326.47675	1.1
375.93613	1.0
417.27686	1.3
445.26401	3.3
463.30637	67.7
464.30823	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	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03943	5.2
55.01868	4.2
55.05509	22.1
57.03434	7.9
57.07076	3.8
60.41202	1.0
62.99096	1.0
63.31369	1.1
65.03940	4.2
67.05499	84.7
69.03444	1.2
69.07064	29.7
69.68762	8.2
71.04996	5.0
77.13369	1.4
79.05486	56.6
80.23235	1.3
81.03397	5.4
81.07049	100.0
83.04971	11.3
83.08612	16.9
83.09036	1.7
85.06549	5.3
85.27141	1.1
91.05473	35.9
93.07039	79.1
93.79254	1.1
95.04965	10.7
95.08597	26.8
97.06525	14.0
97.10186	2.3
99.08105	3.8
105.04517	1.4
105.07034	12.7
107.04961	4.5
107.08581	44.8
109.06533	5.0
109.10172	4.4
111.08067	8.8
113.09710	1.3
117.07009	10.6
119.08617	5.3
121.06541	4.1
121.10136	23.1
123.08096	2.0
123.11736	4.2
125.09660	3.1
129.07036	1.3
131.08566	12.6
133.10106	10.8
135.08080	2.2
135.11676	14.7
139.11133	2.7
145.10120	2.6
147.11703	2.6
147.18143	1.4
149.13243	49.5
157.10127	1.9
159.11688	18.7
163.11189	1.6
167.07109	3.3
177.12715	9.2
195.13788	19.4
195.15361	1.2
201.12833	1.3
213.14899	3.8
219.13898	4.8
227.12914	1.6
343.74121	1.2
445.25708	2.8
463.30710	60.2
464.31345	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	463.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04990	1.0
52.21043	1.1
55.05501	10.6
57.03436	2.2
57.07070	8.4
57.57836	1.0
58.10185	1.0
61.63480	1.0
65.42799	1.1
67.05496	21.3
69.07056	15.4
69.53851	6.3
69.54257	2.0
71.08627	1.5
79.05484	9.1
81.07043	36.3
81.43844	1.0
83.04958	3.3
83.08620	7.4
85.06532	39.7
91.05457	5.6
93.07037	12.7
93.36683	1.1
93.75948	1.1
95.04977	1.7
95.08591	30.9
97.10139	5.6
98.20738	2.2
99.08093	1.2
105.07022	2.9
107.08563	6.7
109.06512	2.4
109.10136	13.9
111.08056	2.6
111.11726	3.6
117.40022	1.0
119.08578	4.3
121.06484	3.4
121.10127	6.1
123.04379	1.4
123.08067	2.4
123.11668	8.2
131.08527	2.7
133.10127	3.7
135.08063	2.4
135.11652	2.5
137.05931	7.7
137.13260	3.6
139.03915	2.7
139.07538	2.8
141.05420	4.4
141.06967	1.4
143.08572	1.3
145.10110	1.9
147.11636	1.2
149.05948	4.7
149.13252	4.3
151.07524	12.9
151.14795	1.5
155.08556	1.5
157.10124	1.6
159.08014	1.9
159.11665	3.2
161.06018	1.7
161.09636	1.1
163.07594	1.0
165.05479	11.9
165.09111	2.3
165.16429	1.1
166.06300	2.8
167.07018	100.0
167.25606	1.1
168.07378	2.9
169.10089	2.5
171.11655	1.2
173.09610	1.2
175.07478	2.0
177.09109	3.5
179.06969	2.0
179.10707	1.2
181.04897	1.4
181.08551	1.6
183.11734	2.2
185.09673	1.2
185.13306	1.6
187.11176	1.6
189.09116	6.0
191.07036	2.4
191.10649	1.3
193.08609	2.7
200.25200	1.3
201.09041	1.3
203.10608	2.7
205.08615	6.2
207.10120	5.5
215.10649	3.0
217.12152	1.1
219.10120	2.2
221.11668	1.6
229.12193	1.8
231.13838	1.3
233.11687	3.0
249.77672	1.1
257.45139	1.1
271.53351	1.2
279.26688	1.4
291.19470	1.4
323.19852	1.4
345.62433	1.1
369.13782	1.0
409.30988	1.5
427.26953	1.8
427.31973	8.7
428.32632	3.2
445.33115	15.0
463.28241	11.9
464.28784	2.6
488.11826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3412
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
53.03930	1.6
54.95614	0.5
55.01864	0.7
55.05505	8.0
57.07074	3.8
60.94340	0.6
64.21458	0.6
65.03932	0.9
67.01855	0.9
67.05498	13.3
68.05826	0.8
69.06705	1.1
69.07056	13.1
71.08627	0.8
79.05469	4.0
81.07047	30.2
82.07284	0.5
83.04958	1.9
83.08606	6.0
83.48811	0.7
85.06050	1.0
85.06534	14.2
91.05478	3.1
93.07038	8.7
95.04962	1.8
95.08598	24.9
97.10155	4.4
99.08098	0.7
105.07014	2.4
107.08556	4.0
109.06492	2.4
109.10138	15.6
111.04417	0.6
111.08041	1.1
111.11711	2.3
119.08527	1.7
121.06498	2.7
121.10126	2.6
123.08035	1.8
123.11695	6.9
125.13165	0.6
128.06198	0.7
128.86415	0.6
129.06975	0.7
131.08537	1.6
133.06459	0.6
133.10098	1.7
135.08014	1.4
135.09050	0.6
135.11708	3.0
137.05974	8.1
137.09534	0.6
137.13242	5.7
138.06827	0.6
139.07501	3.9
141.05449	4.4
143.08554	1.1
145.10089	1.1
147.08044	1.6
147.53862	0.5
149.05948	3.1
149.09605	0.8
149.13243	1.7
151.07524	15.5
151.14801	1.6
153.05479	0.7
155.08508	0.7
157.10094	1.3
159.08014	1.6
159.11688	1.3
161.05962	1.9
161.09602	1.5
163.07506	1.0
163.14772	1.0
165.05453	9.7
165.09117	3.9
167.07022	100.0
168.07324	1.8
171.08000	0.7
171.11604	1.0
173.09753	0.8
173.13210	0.6
175.07565	3.3
177.09084	2.2
179.07019	2.1
179.10632	1.3
181.08591	2.0
183.11655	0.9
185.09572	1.0
187.11156	1.4
188.08316	0.6
189.09061	5.3
189.12733	0.7
191.06993	2.4
191.10646	0.8
192.07777	0.7
193.08542	4.3
199.11049	0.6
201.09056	1.4
202.09799	0.7
203.10638	3.1
205.08543	5.8
205.12234	1.1
207.10150	6.4
211.11288	1.2
215.10661	1.7
215.14235	0.7
217.12207	2.2
219.10030	2.8
221.11653	3.1
229.12271	0.8
231.13873	0.6
233.11713	1.5
235.10924	0.6
235.13248	1.6
245.15230	0.7
247.13123	1.2
249.14645	0.6
261.14792	0.7
261.25778	0.7
263.16611	0.7
277.18042	0.9
291.19681	1.0
303.19583	1.1
317.20822	0.7
331.22714	0.9
409.30875	0.7
415.32025	5.1
427.31946	8.1
445.27692	0.7
445.33127	9.4
446.33350	0.9
463.28748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3411
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
53.03951	1.0
55.05506	7.4
57.03418	1.8
57.07069	14.4
59.04977	1.4
65.03932	1.0
65.26683	0.9
67.01865	1.3
67.05495	10.5
69.07060	11.8
69.94947	4.9
71.04985	2.1
71.08590	1.2
74.78212	0.9
78.78328	1.1
79.05488	4.4
81.06572	2.0
81.07048	30.2
83.04968	1.5
83.08612	7.2
83.92634	0.8
85.06539	6.9
91.05466	4.6
93.07056	8.8
95.08595	24.9
97.10156	4.8
99.08125	1.3
105.07008	2.9
107.08591	3.4
109.06502	2.6
109.10143	17.2
111.11707	2.3
119.08594	2.6
121.06504	3.0
121.10100	2.6
123.08048	1.6
123.11691	10.6
127.11143	1.3
135.08000	2.5
135.11670	1.5
137.05963	8.9
137.13248	6.9
139.03824	1.1
139.07538	2.8
141.05452	2.7
145.10104	1.4
147.08069	2.0
149.05951	4.7
149.09538	1.0
149.13287	1.9
151.07527	23.6
151.14876	2.3
153.05399	1.1
157.09999	1.1
159.08061	1.5
161.05974	4.2
161.09633	1.4
163.14809	2.0
165.05444	13.4
165.09134	5.7
167.07018	100.0
168.07314	1.5
175.07550	3.5
175.11153	1.3
177.09090	3.5
179.07045	3.0
179.10606	2.1
181.08484	1.9
185.09569	1.8
189.09079	12.0
189.12704	1.5
191.07007	2.4
191.10718	2.6
193.08594	4.2
199.11053	0.9
203.10663	8.1
205.08585	2.8
205.12120	1.9
207.10133	7.0
217.12270	2.8
219.10173	1.6
221.11710	2.6
231.13676	2.1
233.11790	1.0
235.13210	1.2
247.13342	1.0
291.19794	1.3
357.24146	1.2
361.27228	2.8
371.25739	2.8
389.26813	4.1
396.58035	1.0
399.32794	1.1
409.30988	1.4
427.31989	15.2
445.33066	13.8
446.33289	2.0
463.33575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
54.99406	1.0
55.05504	13.9
57.03424	1.5
57.07075	5.0
57.18046	1.0
58.76434	1.0
59.04983	1.3
67.01843	1.5
67.05170	1.3
67.05499	20.0
69.03422	1.8
69.07063	19.3
71.08616	2.0
79.05479	7.2
81.07048	38.6
83.04980	5.8
83.08594	9.2
85.06530	14.3
85.38526	1.1
91.05476	7.3
93.06472	1.4
93.07038	20.4
94.72788	1.1
95.04942	4.0
95.08597	47.9
96.08948	1.3
97.06519	1.8
97.10154	4.5
105.07030	7.6
107.04971	1.1
107.08582	13.5
109.06503	3.9
109.10146	21.2
111.04403	2.1
111.08052	3.7
111.11691	3.0
115.05392	1.2
117.07016	1.4
119.08553	7.4
121.06489	3.8
121.10120	9.1
123.08059	5.2
123.11701	11.8
125.05972	1.7
125.34114	1.0
128.06244	5.9
129.07005	12.3
130.07791	1.2
131.08551	5.4
133.06467	1.2
133.10083	5.9
135.08031	2.2
135.11658	6.8
137.05943	10.0
137.09550	1.6
137.13248	5.8
138.06677	1.5
139.03822	1.3
139.07512	7.0
141.05452	2.3
141.06941	4.0
141.09077	3.9
142.07722	3.6
143.08540	13.3
145.10081	4.2
147.08073	1.3
147.11656	2.4
149.05952	5.5
149.09583	1.7
149.13219	3.8
151.07518	17.7
151.14767	1.9
153.05524	1.4
153.06895	2.5
154.07722	2.8
155.08537	8.7
156.09274	6.2
157.06529	1.6
157.10156	5.0
159.08011	2.2
159.11673	4.7
161.05968	2.4
161.09601	3.3
161.13213	2.9
161.57588	1.1
163.14868	1.7
165.05460	9.5
165.06996	3.0
165.09108	4.2
166.06171	1.9
166.07761	1.4
167.07036	100.0
167.08511	6.5
168.07347	2.0
168.09312	2.6
169.06430	1.9
169.10117	34.0
170.10872	8.3
171.08047	3.9
171.11676	14.3
173.05939	3.1
173.09630	1.7
173.13271	1.2
175.07545	2.4
175.11194	1.4
177.09097	2.3
179.07060	2.3
179.08522	2.6
179.10658	2.6
180.09309	1.9
181.08572	2.9
181.10092	4.5
182.10750	1.8
183.08026	2.1
183.11678	22.6
185.09583	2.0
185.13260	16.6
186.10568	1.1
187.07509	3.4
187.11131	4.5
187.14781	2.0
189.09108	5.9
191.07039	1.2
191.10646	2.1
193.08542	3.6
193.10101	3.3
193.11879	1.4
194.10902	2.9
195.08023	1.9
195.11646	9.1
197.09618	5.2
197.13245	5.9
197.87209	1.1
199.07481	2.1
201.12743	1.2
203.10667	3.5
205.08546	4.5
205.12106	2.4
206.10831	1.8
207.10056	6.3
207.11794	2.2
209.13281	5.2
211.11081	3.6
211.14793	2.9
213.09041	5.3
213.12674	1.6
215.10645	22.8
215.14122	1.6
219.10017	2.6
220.12411	3.1
221.09677	1.9
221.11455	2.0
221.13249	4.5
223.11105	1.8
223.14827	4.9
225.09111	2.3
229.12202	5.9
231.13791	2.1
233.11568	2.2
235.14784	3.2
235.16911	2.4
237.16542	2.3
239.10675	3.1
241.12131	3.7
249.12764	2.1
249.16396	1.4
255.13802	12.0
256.14133	1.6
263.14108	1.9
267.13828	5.4
277.19406	3.1
279.13589	1.8
279.21078	2.6
281.15341	6.4
291.19614	1.1
320.49261	1.2
321.18469	1.2
323.20013	3.4
371.25873	2.2
403.22565	3.4
411.86429	1.1
415.32007	3.3
417.27792	3.4
421.23792	8.8
427.26352	2.4
427.31955	7.5
445.27283	11.3
445.33093	10.1
446.33942	1.1
463.28394	47.3
464.28653	5.4
474.70929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3412
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
53.03930	1.4
55.05504	11.1
57.07065	4.6
65.03948	1.4
67.05498	13.9
69.07059	23.1
69.29366	10.7
69.29778	2.8
79.05482	5.8
81.07047	42.3
83.04953	3.1
83.08606	10.6
85.06554	1.2
85.46756	1.5
91.05469	4.5
93.07036	14.0
95.08594	42.5
96.08934	1.4
97.10169	5.0
104.55259	1.3
104.89171	1.7
105.06976	2.0
107.08556	7.0
107.33626	1.2
109.06522	2.8
109.10144	20.3
111.11717	2.6
119.08578	3.2
121.06509	3.1
121.10127	5.7
123.08053	1.2
123.11700	14.3
129.06969	1.7
131.08612	1.7
133.10115	2.5
135.08054	1.6
135.11687	4.9
137.05959	6.0
137.13258	10.7
139.07515	3.5
141.05443	7.5
145.10088	2.1
147.08031	2.1
149.05968	3.0
149.13213	2.8
151.07526	10.3
151.14801	1.3
155.08540	2.7
157.10077	4.0
158.15594	1.4
159.11673	4.4
163.07463	1.8
163.14789	1.6
165.05461	7.3
165.09140	2.7
165.16350	1.6
167.07022	100.0
168.07335	3.5
169.10158	4.5
171.11613	1.5
175.07552	2.5
177.09149	2.2
179.10643	1.3
181.08601	3.7
183.11691	5.1
184.05754	1.4
187.07555	1.5
189.09084	2.1
191.07030	3.2
191.10606	2.1
193.08601	4.5
195.11653	1.8
197.13220	1.7
203.10626	2.9
205.08589	4.0
205.12308	1.2
207.10115	8.5
207.11754	1.5
211.11206	2.2
215.10703	5.0
219.10175	2.7
221.11652	3.4
229.12195	2.4
233.11725	2.5
241.12112	1.5
247.13176	1.5
255.13658	3.0
267.13895	2.3
285.10242	1.5
289.18216	1.7
345.24057	1.8
427.26392	2.2
427.31738	9.5
428.32312	1.4
445.33078	3.4
463.28275	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	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
57.03424	0.6
60.04507	0.5
61.02919	0.9
67.01927	0.4
69.03423	2.5
70.14044	1.3
70.14460	1.0
71.04990	0.6
73.02905	0.5
75.17368	0.5
81.03400	1.2
84.04487	0.5
85.02895	9.8
91.03941	0.6
91.05476	1.4
93.07069	0.5
95.04947	0.5
97.02892	3.0
107.04972	1.1
109.02868	0.6
111.04427	0.6
113.89558	0.4
115.38416	0.4
119.04935	0.6
119.08514	0.6
121.02805	0.7
121.06509	3.2
122.22932	0.5
127.03905	1.6
129.05452	0.5
135.04343	1.0
135.08070	0.6
137.02339	0.8
137.05959	2.7
145.04948	1.9
147.04414	0.9
147.08006	0.5
149.05962	5.1
151.07544	0.6
153.01830	1.4
160.05157	0.5
161.05959	100.0
162.06361	1.2
163.03876	1.2
165.01929	0.8
167.95421	0.5
175.07524	8.5
177.05466	2.0
177.09123	0.8
179.07011	26.4
180.08626	0.9
193.08537	0.5
195.06516	0.8
197.08080	6.4
203.07008	16.1
205.04617	0.6
208.81340	0.5
221.08063	66.4
222.08363	0.5
229.04922	1.6
230.08286	0.5
255.06529	0.9
257.04440	0.9
267.08609	10.9
285.04044	0.6
285.09665	16.6
303.04965	19.9
317.01053	0.6
423.03482	1.0
464.15656	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	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01878	1.7
55.05506	7.9
57.03429	10.6
57.07071	1.5
57.78080	0.9
59.04992	2.2
59.14328	1.1
60.04523	1.1
61.02922	8.1
65.03926	2.1
67.05499	5.9
68.99768	1.6
69.03424	33.3
69.07064	6.3
70.06558	1.0
71.53133	1.6
71.53502	1.2
73.02905	4.3
75.04471	2.4
79.05485	18.5
81.03397	4.0
81.07056	7.3
83.04982	3.3
85.02897	29.9
86.09704	1.9
87.04461	22.8
91.03935	4.5
91.05469	28.6
93.07034	97.2
94.07362	2.0
95.04966	8.1
95.08608	4.5
97.02876	28.8
97.06518	1.1
97.10115	1.1
105.04516	1.5
105.07018	11.4
107.04929	1.9
107.08585	100.0
108.08903	2.2
109.02873	1.2
109.06506	5.6
109.10143	3.3
111.00728	1.4
111.04393	1.3
111.08028	1.0
115.03916	32.9
117.06953	1.0
119.06051	1.5
119.08571	5.7
121.02810	1.1
121.06494	1.7
121.10123	6.6
123.04405	2.3
125.09665	1.3
127.03880	4.6
131.08537	2.2
133.04955	34.1
133.10121	2.8
135.08147	1.4
135.11674	52.7
136.11990	1.9
137.02333	4.9
137.05956	1.8
145.04962	4.7
145.10088	1.8
147.11674	1.6
149.05922	1.0
149.13277	1.3
150.07613	9.6
151.07523	2.1
153.01826	4.2
154.01997	1.1
159.11685	1.3
163.03900	0.9
167.07133	1.2
177.05681	1.0
177.12747	1.5
183.02855	1.6
184.07324	1.7
187.05821	1.0
187.11206	1.1
201.05386	1.2
207.60875	1.1
209.11794	1.2
219.13797	1.1
229.04959	3.9
257.04425	1.5
277.09256	1.2
303.04971	84.8
315.05029	1.5
323.74774	1.0
355.04471	12.8
410.27808	1.2
472.68600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.0
52.19617	1.1
53.03924	4.1
54.24309	1.1
55.01868	5.8
55.05505	8.8
56.00430	1.1
57.03431	8.1
61.02919	8.5
65.03942	2.3
67.05487	4.3
69.03136	1.3
69.03425	14.8
69.07043	3.7
70.78436	2.5
71.01357	1.6
71.04975	2.1
72.04485	1.2
73.02911	17.5
74.12263	1.1
74.68336	1.1
76.75768	1.1
77.03922	1.4
79.05481	14.5
81.03395	3.9
81.07052	7.6
83.04982	1.7
83.08608	1.4
85.02421	2.2
85.02898	26.4
87.04441	3.7
91.03918	3.1
91.05473	26.5
93.07032	85.6
94.07340	1.5
95.04955	9.0
95.08578	5.1
97.02878	18.6
97.10136	1.3
99.04401	1.7
103.03945	1.7
105.06997	10.3
107.04946	1.4
107.08581	100.0
109.06492	4.4
109.10159	2.1
115.03892	12.4
119.04936	5.5
119.06033	1.3
119.08564	3.2
121.10123	5.5
123.04405	1.8
123.08038	1.5
123.11635	1.7
125.05992	1.7
127.03068	1.2
127.03898	7.5
132.06564	1.5
133.04941	14.2
133.10095	2.6
135.11673	57.9
135.34160	1.1
136.11974	1.6
137.02293	3.6
137.05939	2.3
145.04930	7.2
145.10100	1.6
147.04384	23.0
147.11690	1.9
150.07628	1.8
153.01801	4.0
153.12814	1.4
163.03903	2.4
163.05981	1.6
165.01836	1.2
184.07338	1.9
201.05434	1.4
229.04976	2.4
241.07047	2.2
242.76274	1.2
257.04456	1.4
267.15753	1.4
277.09262	1.3
303.04968	53.0
348.18240	1.3
355.04300	1.7
434.23270	1.4
446.29956	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	464.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.5
57.07044	1.6
58.07388	0.7
62.26629	0.4
67.01843	0.7
67.05497	3.1
69.07038	1.9
69.19180	0.7
69.19513	5.1
71.04984	0.4
72.01842	0.4
73.06522	0.4
79.05451	0.5
81.03412	0.5
81.07056	4.7
82.04157	0.6
82.07372	0.9
83.04971	1.0
83.08599	0.7
85.06515	0.8
91.05466	1.9
92.06246	0.9
93.07056	3.4
95.04355	0.5
95.04951	9.6
95.08604	3.0
96.08933	0.6
97.10157	0.6
98.20675	0.7
98.65572	0.5
105.06980	0.4
109.02950	0.4
109.06493	1.6
109.10118	2.2
110.07284	7.0
119.08566	0.5
120.05720	0.9
121.06483	2.0
121.10150	0.6
123.04417	3.3
123.11700	1.9
124.12056	0.5
133.10130	0.5
135.11641	0.5
137.05977	2.9
137.13223	1.1
138.06741	37.4
139.07545	2.9
149.05949	3.4
151.07512	2.1
152.07831	0.7
153.76999	0.5
154.06247	6.0
162.06381	0.5
165.05385	1.2
165.09073	1.0
166.06232	100.0
167.07016	41.8
168.07359	5.3
175.07434	0.6
179.10577	0.5
180.07787	1.2
189.09097	2.1
190.09416	1.0
193.08516	0.9
203.10767	0.6
205.08588	1.1
207.10161	2.5
221.11363	0.5
231.80370	0.4
303.04990	1.9
362.57465	0.5
372.26910	0.6
374.28259	1.3
390.27609	4.2
428.27463	0.3
428.32672	11.9
446.33844	38.2
447.34195	1.5
464.34924	21.7
465.35269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.8
61.02925	6.8
65.03928	0.4
66.94126	0.2
68.99792	0.8
69.03413	1.0
70.62425	0.9
73.02917	1.5
81.03423	0.7
83.89621	0.2
85.02409	0.4
85.02898	5.3
91.03951	3.3
93.03395	0.6
97.02891	2.9
98.20839	0.3
99.04453	0.4
107.17365	0.3
109.02877	1.0
111.00798	1.1
111.30671	0.2
115.90275	0.2
117.52192	0.2
121.02837	1.1
123.04379	0.5
127.03891	1.1
130.21834	0.3
135.04350	0.4
137.02328	5.7
137.03378	0.4
145.04939	0.7
145.06456	0.4
149.02336	0.6
153.01823	5.4
163.03883	0.7
165.01808	2.9
173.06033	0.6
183.02870	0.9
183.04370	0.6
187.03879	0.7
191.03349	0.4
197.05875	0.3
201.05450	2.2
205.04951	0.6
211.03891	0.3
215.03426	0.3
220.82724	0.3
228.04201	0.3
229.04939	5.9
230.65950	0.3
247.06026	0.9
257.04437	3.2
274.04694	1.0
285.03943	1.7
293.26309	0.3
303.04968	100.0
304.05255	2.1
315.04932	2.6
327.05072	0.5
341.06451	0.5
345.05914	1.9
355.07944	0.3
369.05991	1.7
381.06168	0.3
399.07092	0.4
411.06915	0.5
429.08279	0.3
447.09116	0.7
465.10132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.79417	0.5
57.03413	0.6
61.02922	6.2
68.99786	0.8
69.03419	0.6
69.19881	0.5
69.66382	2.0
69.66791	1.6
73.02904	2.1
81.03391	0.7
82.72376	0.5
85.02908	5.5
91.03953	3.5
97.02868	2.2
98.20756	1.2
103.00474	0.5
109.02857	0.7
111.00787	1.3
121.02819	0.7
127.03914	1.4
137.02342	3.4
145.04895	0.8
147.60403	0.6
153.01820	4.6
165.01851	2.1
166.02562	0.7
173.06009	0.9
183.02837	0.9
201.05411	2.0
228.04170	0.5
229.04947	4.9
250.92177	0.5
257.04449	3.0
274.04755	1.5
285.03909	1.7
303.04962	100.0
304.05298	2.6
475.24548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.1
55.05266	1.6
55.05505	18.5
55.77418	1.2
57.03432	11.3
57.07064	8.4
58.56477	1.4
59.03783	1.3
67.05502	6.5
67.58445	1.4
69.07059	24.3
71.08613	6.0
71.26778	2.2
71.27106	1.4
73.02908	6.5
79.05473	6.2
80.15984	1.3
81.07032	9.6
83.04932	1.6
83.08612	22.9
85.10184	2.5
93.07038	6.6
95.08616	8.3
97.06480	3.8
97.10165	12.8
98.98455	47.8
107.08579	3.4
109.10114	3.2
111.11720	2.9
116.99520	1.8
121.10132	4.6
123.11746	1.7
129.05464	3.4
135.11668	4.0
136.99968	2.3
151.07545	2.1
155.01027	41.6
167.07074	1.6
210.93439	1.4
219.21091	1.7
229.04892	2.2
237.22119	10.3
272.00534	1.3
303.04865	5.8
311.25760	100.0
312.26059	3.4
433.30975	1.6
447.25061	13.4
449.38620	1.4
465.29581	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	465.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26027	1.1
55.05503	5.8
57.03416	1.0
59.57229	1.0
61.02919	1.5
63.72079	1.1
67.05502	11.7
69.03407	1.7
69.07066	4.9
69.85256	2.0
69.85653	5.0
79.05486	7.0
81.07048	11.4
83.04969	4.5
83.08594	2.5
85.02894	1.7
85.06512	1.8
91.05475	7.0
93.07034	18.0
95.04939	2.8
95.08595	18.7
97.02911	1.4
97.06530	2.1
98.21411	1.6
99.04443	1.4
105.07023	7.8
107.08572	15.7
109.06482	2.9
109.09454	1.0
109.10156	6.4
110.11873	1.2
111.04419	2.6
111.08072	4.9
112.88227	0.9
117.06947	2.1
119.08559	6.3
121.06479	3.0
121.10143	7.9
123.08059	4.2
125.05930	1.1
127.07560	1.6
128.06215	1.7
129.06995	2.2
130.07738	1.4
131.08568	4.6
133.10091	4.5
135.08025	2.3
135.11691	9.6
137.09634	1.5
139.07571	2.3
141.06996	1.4
141.09036	1.7
143.08543	3.5
145.10077	7.1
147.08124	2.3
147.11653	1.9
149.09605	1.3
149.13216	3.7
155.08510	1.4
156.09334	1.3
157.10101	4.9
159.11671	4.1
161.09543	2.2
163.11171	3.6
165.06981	2.7
166.07707	2.3
167.08591	4.1
168.09435	2.3
169.10056	3.1
171.11623	3.3
173.09682	1.3
173.13350	1.6
175.11148	1.6
177.12761	1.6
178.07768	2.0
179.08574	9.6
180.09326	3.3
181.10110	8.6
181.12151	1.3
183.11691	3.6
184.12494	1.3
185.09621	2.7
185.13287	1.8
189.12772	1.7
191.08527	7.8
192.09311	5.9
193.10100	7.0
193.11752	1.2
194.10785	1.9
195.11652	6.8
195.13545	1.2
197.13188	3.3
199.11206	4.5
201.12573	1.2
203.08659	1.4
204.09251	1.4
205.10147	7.9
206.10910	9.8
207.11667	16.6
207.13496	2.2
208.12238	1.7
209.13191	7.5
211.11278	1.7
213.12770	2.6
219.11632	11.6
219.13544	1.4
220.12344	2.1
221.13222	100.0
222.10374	1.5
222.13658	4.0
223.11145	6.8
223.14674	8.2
225.12790	1.2
232.12457	1.2
233.13229	10.7
233.15309	1.8
235.14783	13.9
237.12709	71.4
238.13217	3.6
239.14169	1.7
245.13190	1.7
246.14061	1.3
247.11148	3.0
247.14813	6.8
249.12595	1.9
249.16365	2.3
251.10625	1.4
251.14217	3.8
251.17966	1.3
257.15314	1.5
258.14020	1.3
259.14767	1.8
261.16357	5.8
262.16913	1.2
263.14429	5.4
263.17920	4.4
265.12201	61.5
266.12479	2.2
273.16275	1.8
277.19388	1.5
279.13815	1.5
287.17859	1.7
291.17285	1.5
291.32156	1.3
303.04947	20.1
325.21246	1.5
325.70053	1.1
383.23434	2.1
385.25558	2.4
401.24652	9.1
403.26291	15.4
419.20078	1.4
419.25732	26.1
419.31058	1.8
420.26105	1.5
429.23621	6.0
447.25156	48.2
448.25653	2.1
465.30057	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	465.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
55.01839	4.2
55.05260	2.6
55.05504	34.8
57.03430	20.9
59.04949	1.5
61.02915	1.7
65.03920	3.7
67.05497	80.1
69.03410	4.4
69.06728	1.6
69.07061	24.5
69.40266	4.5
69.40676	8.1
71.01335	5.9
71.04987	7.3
77.21485	1.4
79.05482	76.9
81.03409	62.6
81.06578	3.1
81.07047	57.1
83.04968	27.8
83.08617	24.7
85.02894	35.7
85.06535	5.9
91.03906	2.0
91.05473	61.5
93.07032	77.9
95.04959	54.0
95.08595	23.5
97.02865	3.9
97.06519	18.1
97.10159	15.8
99.04402	1.9
99.08052	4.0
105.03796	1.7
105.04490	2.4
105.07012	28.2
107.04965	9.2
107.08586	42.9
109.06524	7.8
109.10155	9.6
111.04400	2.4
111.08062	16.3
113.06023	3.2
117.06983	10.8
117.94814	1.6
119.05956	1.6
119.07794	2.0
119.08570	26.5
121.06469	8.4
121.10127	16.4
123.08035	5.1
123.11687	2.4
125.09598	5.5
129.06982	12.2
130.07829	1.8
131.08577	14.7
133.06491	3.6
133.10139	13.2
135.08060	2.9
135.11673	53.4
135.12717	3.4
137.02299	2.0
137.09665	3.4
142.07732	3.1
143.08565	4.9
145.10098	15.4
147.08026	4.1
147.11673	16.7
149.09604	5.7
149.13165	1.7
153.01825	2.2
153.12697	3.0
157.10130	15.1
159.11650	4.2
163.11159	9.5
165.12766	3.4
173.13216	1.4
175.11189	18.7
181.12241	12.3
189.11115	2.9
193.12228	73.1
194.12566	1.8
203.87285	1.6
205.12219	3.3
211.13261	81.4
212.13625	2.1
219.13765	1.7
223.13272	3.6
249.15018	1.6
251.28809	1.5
255.15961	6.3
267.15884	7.2
303.04953	29.8
304.05206	1.4
329.21103	6.9
355.22705	3.8
373.23654	12.3
403.24841	3.3
421.25867	2.0
447.27393	10.4
465.28436	100.0
466.28668	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.2
55.01841	8.6
55.05505	38.9
55.75086	2.7
55.93638	3.0
57.03434	23.1
57.07056	4.1
61.02912	6.6
61.03201	2.9
65.03906	5.6
67.05496	97.0
69.03403	8.5
69.07062	22.1
69.39739	26.1
70.06576	5.8
71.01326	5.5
71.04967	10.7
79.05063	5.1
79.05485	85.7
81.03403	66.7
81.07051	67.6
82.07352	3.2
82.27754	2.8
83.04976	34.9
83.08614	30.0
85.02894	34.3
85.06528	6.5
88.07619	4.7
91.05468	69.6
92.01013	2.8
93.06461	4.6
93.07033	84.8
95.04958	56.9
95.08588	33.4
95.43810	2.9
96.08905	4.7
97.02861	6.3
97.06525	22.6
97.10156	15.7
102.09141	4.1
105.07023	37.1
107.04924	10.4
107.08588	50.1
109.06489	11.7
109.10099	11.3
111.04419	6.7
111.08073	14.8
117.06995	16.4
119.08569	38.1
121.06473	7.9
121.10134	23.3
123.08023	4.2
123.11697	5.9
125.09592	7.6
128.06207	4.2
129.06949	12.5
131.08557	18.3
133.06476	4.8
133.10109	22.1
135.08006	4.4
135.11684	50.5
137.09587	5.0
142.07762	5.7
143.08540	9.6
145.10077	20.7
146.10449	3.4
147.08022	6.5
147.11705	15.8
149.02313	20.1
149.09595	5.4
153.01765	4.5
155.08562	3.6
157.10107	20.8
159.11671	8.0
161.09576	3.8
163.11143	8.7
165.12737	3.4
171.11693	3.6
175.11183	17.0
177.12778	4.5
180.01653	2.7
181.12158	14.4
185.13144	3.4
187.11142	3.0
193.04973	23.1
193.12227	60.0
201.12616	3.0
204.51445	3.0
211.13249	60.3
211.20264	3.5
212.15778	3.2
229.04901	5.4
237.07509	20.5
255.15981	4.6
256.26358	17.4
257.04333	4.4
267.15924	7.0
267.48901	2.8
303.04962	95.3
304.05295	11.5
325.21118	3.1
329.21085	10.5
373.23642	12.4
383.26855	3.4
416.09195	3.2
421.25293	3.7
447.27673	6.7
465.28497	100.0
466.31711	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2993
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
55.05497	12.0
57.07024	4.5
66.29008	4.3
67.05504	24.0
69.07064	12.6
72.21966	5.0
73.94386	4.7
77.91109	3.6
78.52799	3.8
79.05471	12.9
81.07063	21.9
82.36865	4.9
83.04950	14.1
83.08607	7.3
91.05455	17.0
93.07025	44.0
93.65388	4.5
95.04936	8.1
95.08597	76.7
98.20594	8.2
98.98441	7.3
105.07008	31.3
107.08585	24.3
109.06481	7.3
109.10112	10.3
111.04423	15.1
111.08083	13.0
117.07023	8.7
119.08564	38.0
121.10134	18.6
123.11709	8.5
129.06982	13.9
131.08556	25.9
133.10107	29.1
135.11708	11.9
139.07516	5.9
142.07756	7.6
143.08528	23.8
145.10092	32.4
147.07988	9.2
147.11670	28.4
155.08583	7.1
157.06519	4.9
157.10117	26.0
159.08054	13.4
159.11688	31.6
161.09607	12.4
161.13266	13.5
165.06895	4.6
169.10159	9.9
170.10789	7.7
171.08026	27.4
171.11687	23.2
173.09584	14.6
173.13249	19.7
177.09102	5.9
181.10013	6.1
183.07971	8.5
183.11568	6.2
185.09596	12.2
185.13228	24.5
187.11131	12.7
187.14827	22.0
189.09061	6.3
193.10170	8.2
195.11691	9.3
197.09540	5.0
197.13226	11.4
199.11223	7.0
199.14795	10.8
201.12660	10.7
201.16451	5.9
203.10519	4.9
209.13225	9.0
211.11212	6.0
211.14835	8.5
213.12674	34.2
215.14320	17.4
223.11128	7.3
225.12770	5.5
227.14352	15.0
229.15889	14.6
231.13792	15.1
233.15317	17.5
245.15387	7.8
248.15472	5.4
265.19299	4.7
278.03793	4.1
279.21097	4.2
289.19601	5.9
311.25769	12.2
325.21600	14.2
388.82999	4.5
411.27094	5.2
419.29306	13.5
429.27802	13.7
447.29205	23.5
465.29807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2995
Annotation	Perovskone B
Peak:m/z	Relative Intensity
50.83241	4.5
55.05502	13.6
67.05500	25.0
68.96043	4.4
69.07056	7.5
69.95065	11.4
69.95484	16.6
79.05471	5.3
81.07039	18.0
82.44559	5.0
83.08607	6.4
91.05467	12.9
93.07033	34.6
95.04951	7.6
95.08583	51.2
97.77208	5.0
98.98683	4.2
101.54288	4.7
105.07029	13.7
107.08566	27.7
109.10162	33.3
111.08077	15.7
119.08555	6.3
121.10146	17.0
123.08055	13.6
129.06978	8.6
131.08545	4.0
133.10138	6.5
135.11700	21.3
139.07509	5.2
141.06987	4.8
141.09096	17.5
142.07739	13.5
143.08540	14.2
145.10168	5.9
153.06969	5.0
155.08566	18.5
157.10120	30.6
159.11621	6.6
163.11197	4.8
164.47186	4.6
166.07817	7.3
167.08537	16.7
168.09193	7.4
168.29932	5.7
169.10138	20.1
171.11745	10.5
179.08559	11.5
180.09380	8.1
181.10123	37.1
182.11005	8.6
183.11749	14.8
191.14308	5.2
193.10173	10.4
194.10904	9.9
195.11703	25.3
197.13197	49.0
199.11201	18.3
207.11708	10.2
208.12442	7.2
209.13229	27.0
213.12715	10.2
217.12164	27.5
219.11644	6.2
221.13266	15.5
223.14856	27.4
235.14828	11.8
235.16920	8.9
237.12611	6.3
237.16364	29.1
239.14369	14.9
243.13939	11.4
245.15459	5.1
247.14722	9.8
251.14287	13.5
255.13812	7.1
257.15378	100.0
258.15771	5.2
263.14182	5.4
265.15970	13.0
269.08994	5.0
269.15320	24.6
277.15912	7.9
279.17371	9.8
283.16934	36.0
285.18600	7.1
291.17792	5.4
297.18588	28.4
303.17294	6.6
305.18869	10.8
307.20474	6.7
311.20056	5.3
315.17816	4.9
319.20624	6.3
325.21619	8.1
333.22235	7.3
340.85016	5.6
401.28262	7.7
429.27969	31.4
447.28891	20.0
465.29150	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	465.2991
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
55.01859	10.0
55.05503	29.4
57.03416	10.0
57.07055	13.3
57.07320	4.1
64.92182	2.9
65.99880	3.2
67.05502	25.9
67.85222	3.4
69.07060	35.7
71.08624	5.8
73.02887	6.7
74.28169	3.1
79.05482	20.0
81.07042	29.3
83.04978	10.1
83.08614	24.9
91.05456	15.9
93.07024	27.2
95.04959	5.4
95.08592	46.5
97.06500	7.7
97.10149	12.6
98.98463	60.8
105.07011	30.7
107.08570	26.3
109.06477	4.3
109.10133	18.9
111.04408	5.0
111.08058	9.6
117.07002	4.7
119.08567	28.3
121.02176	3.2
121.10150	15.0
123.08057	4.3
123.11691	8.5
128.06197	4.9
129.06970	12.6
131.08551	15.7
133.06496	3.6
133.10132	25.4
135.11687	9.2
137.00055	6.0
139.07449	3.7
141.06984	3.9
141.09142	3.9
142.07770	4.7
143.08521	19.0
145.10123	27.1
147.08003	5.8
147.11693	17.4
149.13257	6.9
155.01038	39.3
155.08507	6.4
156.09410	4.9
157.10083	27.6
159.07973	6.5
159.11674	24.6
161.09616	5.5
161.13255	8.2
167.08545	4.3
169.10104	14.5
171.08118	4.1
171.11752	20.3
173.09583	5.4
173.13219	18.2
175.11165	5.0
179.08539	3.7
181.10127	8.6
183.11624	14.8
185.09673	5.9
185.13248	16.3
187.11095	8.9
187.14763	9.9
189.12715	21.1
194.10748	4.2
195.11667	12.4
197.13268	14.5
199.11191	10.5
199.14774	10.2
201.12700	7.5
201.16467	3.8
207.11690	7.6
209.09557	4.8
209.13246	8.4
211.14771	7.3
213.12704	7.7
215.14226	5.7
219.21048	4.3
221.13354	4.9
223.14778	9.7
225.12846	5.5
225.16414	7.3
227.14346	5.9
229.15796	6.3
231.13747	6.5
233.13094	4.0
233.15361	4.3
235.14806	6.8
237.16383	6.3
237.22110	11.7
239.14191	5.0
239.18069	3.2
245.15239	4.1
259.16840	4.3
263.17935	5.4
265.19592	5.6
273.18387	11.0
279.17484	3.5
279.20990	7.9
289.19427	5.2
291.21140	3.3
303.05069	19.0
307.20486	14.6
311.25763	100.0
325.21191	8.8
348.58353	3.3
381.27914	9.1
387.23370	4.3
401.28305	4.0
419.29306	13.2
429.27924	23.1
444.21478	3.5
447.29300	44.5
465.30048	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	465.2995
Annotation	Perovskone B
Peak:m/z	Relative Intensity
51.64525	1.0
53.03912	1.3
55.05497	7.4
57.03418	1.9
57.58411	1.2
59.31878	1.1
65.03913	1.7
67.05495	17.0
68.05823	2.9
69.07051	7.4
69.44689	2.0
69.45095	8.0
70.07386	1.1
79.05469	8.5
81.03419	1.4
81.07038	17.3
82.07381	3.1
83.04950	8.7
83.08585	1.8
85.02889	2.5
85.06537	2.5
91.05473	9.8
93.07032	16.3
94.07369	3.4
95.04959	5.2
95.08592	27.9
95.50682	1.4
96.08915	1.9
97.06541	2.4
98.20722	1.4
99.04474	1.5
101.58166	1.1
105.07006	10.0
107.08585	10.7
108.08926	1.7
109.06495	5.1
109.10151	4.1
111.04438	5.4
111.08058	6.0
117.06989	2.8
119.08560	10.0
121.06517	2.1
121.10142	6.6
121.33180	1.1
123.08038	2.8
123.11672	1.8
127.78162	1.3
129.07005	4.8
131.08575	8.2
133.10117	11.6
134.10907	1.4
135.08072	1.9
135.11668	5.9
137.02444	1.7
139.07541	2.1
141.06970	1.9
142.07745	2.4
143.08530	12.0
145.06526	1.2
145.10092	10.6
147.08003	2.2
147.11716	3.7
149.09566	1.9
149.13229	2.4
150.13618	1.7
155.08577	4.8
156.09305	1.7
157.10075	7.4
159.08028	2.7
159.11670	8.5
161.09628	2.5
161.13321	1.8
163.11162	1.9
165.01801	1.6
167.08502	2.1
168.09277	1.3
169.10162	4.6
170.10930	2.3
171.11650	6.4
173.09648	3.7
173.13251	3.8
175.11182	1.6
177.09120	1.6
179.08498	1.6
181.10129	4.3
182.10776	1.3
183.11696	5.2
185.09576	2.3
185.13261	5.2
186.10365	1.2
187.11212	2.5
187.14851	4.3
193.10123	2.0
194.10881	1.2
195.11673	5.7
197.13228	4.2
199.11320	1.7
199.14810	1.7
201.12721	1.5
205.12158	1.6
207.11708	3.0
209.13240	5.3
211.11186	1.2
211.14885	1.6
213.12737	3.7
215.14360	3.0
217.12291	1.8
219.13777	1.3
221.13231	3.1
223.14832	3.3
225.16350	1.4
227.14209	1.3
229.15849	1.4
231.13820	3.1
233.15407	2.9
235.14632	1.4
237.16447	2.1
245.15353	3.0
247.14740	1.1
251.14218	1.4
251.17920	2.2
257.15399	3.4
265.16003	1.4
265.19254	1.2
269.15375	2.5
283.17068	2.2
285.18478	1.3
303.04965	29.2
303.08307	1.9
304.05338	3.5
307.20337	2.0
325.21469	3.9
419.29404	2.8
429.27905	2.6
447.29099	5.4
465.30020	100.0
466.30576	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	465.2994
Annotation	Perovskone B
Peak:m/z	Relative Intensity
52.82135	0.9
53.03918	1.5
55.05493	3.8
62.37923	0.8
65.03926	1.1
67.05481	6.3
69.03436	1.0
69.07053	3.5
69.39007	0.9
71.73388	0.8
77.25139	0.9
79.05482	5.1
81.07056	9.2
83.04974	9.2
91.05470	6.8
93.07029	14.5
95.04956	3.7
95.08590	28.1
97.06524	1.2
97.10159	0.9
98.20666	1.3
105.07014	9.6
107.08585	12.0
109.06489	1.5
109.10144	4.1
111.04430	5.6
111.08068	4.9
113.06004	1.0
117.06988	2.9
119.08561	19.5
121.10140	9.6
123.08071	3.0
123.11672	3.0
125.06021	1.3
127.89013	0.9
128.06181	2.1
129.06950	5.1
130.07791	1.0
131.08560	7.5
133.10106	17.0
133.70586	0.9
135.08032	1.6
135.11656	5.8
139.07530	2.4
141.06996	2.1
141.09125	1.6
142.07771	3.6
143.08521	11.3
143.09537	1.2
144.09338	1.6
145.10100	12.2
147.08031	2.1
147.11674	4.5
149.09595	1.5
149.13226	1.3
155.08539	4.8
156.09335	2.4
157.10121	11.6
159.08025	1.9
159.11662	12.3
161.09593	2.8
161.13272	1.3
163.11189	1.0
167.08531	1.7
168.09300	1.7
169.10112	8.3
171.08066	1.3
171.11662	9.5
172.08801	1.3
173.09639	3.6
173.13258	5.6
175.11073	1.0
175.14851	1.2
177.09059	1.9
179.08531	1.8
180.09312	1.6
181.10071	6.1
182.10844	2.8
183.11717	8.1
185.09579	1.9
185.13255	6.0
186.10393	1.7
187.11218	3.6
187.14824	3.6
191.10568	1.8
193.10117	2.5
194.10898	1.4
195.11652	6.7
196.12196	1.2
197.09587	1.3
197.13210	7.7
199.11179	1.7
199.14793	2.4
201.12779	1.9
203.10606	3.0
205.12206	1.3
207.11644	3.6
207.13530	0.9
208.12531	1.2
209.13188	8.5
211.14792	3.2
213.12695	1.5
215.10730	1.1
215.14311	3.1
217.12167	2.2
219.11713	1.0
219.13789	2.9
221.13287	3.5
221.15291	1.1
223.11243	1.4
223.14780	8.3
225.16336	1.8
227.14258	2.1
229.12201	1.3
229.26730	1.0
231.13733	4.8
233.13374	1.2
233.15291	4.2
235.14789	1.3
237.12700	1.2
237.16335	3.2
239.14104	1.0
241.12209	1.4
243.13744	1.4
245.15337	5.5
249.12755	1.1
251.14310	2.1
251.18025	1.3
255.13599	1.2
257.15363	5.9
261.16180	1.3
265.15875	2.0
265.19525	1.3
267.13708	1.1
267.17447	1.1
268.14456	1.0
269.15320	2.5
271.16995	1.1
275.14532	0.9
278.66238	1.0
279.17282	1.6
283.16830	2.5
285.18613	2.4
287.20013	1.3
295.16803	1.2
297.18512	1.7
305.18930	1.6
307.20480	1.7
311.19983	1.9
323.19940	1.2
325.21631	6.0
351.23608	1.3
366.25726	1.2
419.29147	1.2
429.27969	3.1
447.28918	4.0
465.29956	100.0
466.30255	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	465.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01864	2.1
55.05500	7.3
57.07070	13.7
65.03936	2.1
67.05167	1.4
67.05497	16.5
69.03443	1.4
69.07059	10.5
69.89076	6.6
71.08614	8.4
79.05482	2.2
81.07042	5.2
83.01337	2.2
83.04974	3.4
83.08615	7.3
85.02905	1.5
85.10169	4.9
91.05463	1.5
91.29052	1.1
93.07024	2.2
95.04954	2.1
95.08596	3.6
97.10153	4.8
99.00795	5.8
99.04471	6.7
109.06490	2.2
109.10144	11.3
111.04433	2.5
111.11678	3.2
121.10128	1.9
127.03938	3.2
131.08511	1.2
131.80685	1.1
135.08058	1.9
137.05952	3.3
139.03882	62.9
141.05447	2.3
151.03896	2.2
151.07498	1.2
153.05461	14.8
156.46153	1.0
163.03908	3.7
167.07010	2.7
169.04947	6.0
171.06519	1.4
173.11755	5.1
181.04936	100.0
194.47874	1.2
195.06404	1.9
205.12138	1.9
209.08133	1.5
225.69656	1.2
237.11177	1.6
238.51886	1.0
265.14349	1.5
277.84845	1.1
303.05096	2.5
325.43942	1.0
391.28397	1.3
401.34216	3.7
419.34891	3.7
429.33505	3.6
447.34598	4.5
454.95529	1.3
465.30554	1.3
465.35800	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	465.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
55.05497	10.6
57.03431	4.0
57.06859	2.5
57.07074	25.2
57.85732	2.1
65.03925	3.3
67.05504	12.3
69.07063	22.0
69.38435	2.4
69.38788	23.7
71.08627	18.6
79.05497	6.7
81.07037	11.4
83.04968	8.8
83.08618	9.2
84.26292	2.5
85.10177	10.8
93.07045	8.3
95.08591	7.2
97.06516	3.2
97.10164	6.8
99.04439	4.9
105.06975	2.9
107.04929	5.2
107.08601	5.9
109.02924	2.4
109.06496	3.2
109.10164	11.9
111.04447	15.4
111.11732	3.0
121.10159	3.6
123.08026	3.9
123.11718	4.2
125.02349	10.4
125.06000	13.0
125.09619	3.3
127.03899	8.7
135.04449	3.7
137.05919	4.5
139.03900	4.4
145.10133	2.8
149.09608	5.6
149.13316	3.7
151.03902	3.6
152.41240	2.5
153.05452	90.6
163.18787	3.3
165.09068	2.8
167.07042	11.6
173.11684	3.3
173.13139	2.7
177.09058	2.9
181.04956	6.6
181.08565	11.4
187.06035	4.4
191.10567	3.4
195.10109	5.0
199.04132	5.0
199.05997	100.0
201.98601	2.6
209.11703	5.1
213.07588	8.4
223.13350	4.8
227.09085	4.4
236.83102	2.8
237.14757	3.0
240.08798	3.0
241.10701	6.9
251.16400	3.3
255.12311	12.6
265.18115	3.5
269.13815	8.5
283.15372	9.0
297.16827	3.8
311.18430	11.7
325.19983	10.2
339.21567	8.1
347.29529	5.7
353.23175	8.2
367.24731	6.3
381.26352	4.3
391.31934	4.8
395.27853	7.3
409.29501	5.3
419.35120	8.0
447.34454	4.1
465.35709	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51274	5.0
55.05492	8.4
55.59644	4.7
57.07061	23.3
65.54070	4.5
67.05488	11.8
67.79974	5.3
69.07047	13.4
71.08612	15.5
71.53883	7.8
81.07023	10.6
83.04958	10.0
83.08598	9.8
85.10169	15.3
93.06992	5.8
95.08615	13.3
97.10147	14.1
99.04463	5.9
101.20013	5.8
109.10131	9.6
111.04437	14.1
111.11752	7.1
116.78474	5.6
125.02384	10.2
125.05963	13.9
127.03898	11.9
139.07536	7.4
141.05386	6.5
145.95094	5.4
151.58502	5.3
153.04308	7.1
153.05455	86.9
166.06277	6.3
167.07045	84.0
169.01959	6.0
181.04980	7.1
186.02431	5.6
199.06020	100.0
213.13138	6.9
223.13281	7.1
245.09703	4.8
255.12283	13.3
269.13672	5.9
283.15421	6.8
303.04880	11.2
311.18726	9.4
325.20166	9.6
339.21606	11.0
353.23138	7.3
395.28113	7.7
419.35013	11.1
465.35721	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01867	16.0
55.05502	5.2
57.03431	26.9
59.04993	2.5
60.04509	3.0
61.02926	17.8
64.59341	2.1
65.03928	2.8
67.05501	26.5
68.99782	2.6
69.03421	39.4
69.07047	4.5
69.67287	15.8
71.01334	6.3
71.04974	3.0
71.49032	2.4
73.02912	47.4
74.82850	2.3
79.05492	8.5
81.03400	6.2
81.07053	100.0
82.07368	2.6
84.04521	3.0
85.02897	94.8
87.04446	8.3
89.36829	2.5
91.03925	5.7
91.05476	12.0
93.07037	11.1
94.07362	3.2
95.04961	6.6
95.08605	19.7
97.02888	63.6
97.06549	3.3
97.10154	2.4
98.21451	5.6
99.04427	4.4
103.03924	4.5
104.88113	2.5
105.07030	5.9
107.04995	2.4
107.08607	6.7
109.02866	8.7
109.06529	3.2
109.10149	79.9
111.04457	3.0
115.03909	34.5
119.04916	17.3
119.08584	7.8
123.04401	4.1
123.08089	4.5
127.03925	26.8
131.08543	5.7
132.06569	4.3
133.04958	48.2
133.10146	4.5
135.04350	3.1
135.08058	2.9
137.02298	3.3
137.05959	6.8
137.09602	46.8
137.10590	4.7
137.13231	23.5
144.06540	5.8
145.04947	38.9
145.06007	4.5
145.10115	3.8
147.04395	58.7
150.07651	8.1
151.07494	3.4
153.01784	5.8
155.10655	75.6
163.06059	12.5
180.08691	4.1
202.05980	2.9
223.06035	5.0
229.04973	4.4
230.05247	3.8
241.07033	6.8
259.08154	12.8
295.10294	3.2
303.04993	29.0
303.08582	6.4
304.05292	72.5
305.05392	5.8
317.19550	4.6
333.80258	2.8
356.04767	4.6
392.28781	3.0
402.19424	3.3
466.21472	9.8
466.32477	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	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00963	0.3
53.03930	1.6
55.01862	4.0
55.05502	1.3
57.03428	7.6
57.07069	2.7
59.04994	1.0
61.02921	3.8
65.32983	0.4
67.05495	5.6
69.03417	10.2
69.07053	6.7
70.63560	1.0
71.01349	1.9
71.04977	0.8
73.02905	10.1
79.05037	0.7
79.05483	9.2
79.05940	0.7
81.03424	2.1
81.07043	100.0
82.07369	0.7
83.08617	0.4
85.02890	26.6
87.04443	1.5
91.03956	0.7
91.05472	0.9
91.13995	0.3
93.07024	2.4
93.84545	0.4
95.04939	1.0
95.08589	24.2
96.08939	0.5
97.02876	14.2
97.06527	0.6
97.10144	0.5
99.04437	1.1
103.03942	1.2
105.07047	0.6
106.07376	0.4
107.08603	1.4
109.02859	2.6
109.10147	2.3
111.08064	0.4
111.11688	3.0
112.11959	0.4
115.03913	7.0
117.07057	0.5
119.08579	0.8
121.10077	0.7
127.03896	7.2
127.04771	0.6
131.08582	0.7
132.06572	1.3
133.04936	11.2
133.10074	0.6
134.21468	0.4
135.11658	0.7
137.13234	22.5
145.04932	9.2
147.04256	0.4
149.13266	0.7
150.07632	1.7
153.12758	0.5
155.14322	1.5
159.11760	0.5
163.06010	4.1
223.06100	0.9
241.07033	0.8
251.16536	0.5
259.08121	1.2
263.16476	0.5
269.17444	1.1
295.10251	0.5
303.05017	1.4
304.05252	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75351	0.9
53.03933	2.1
55.05488	1.3
57.03435	7.2
57.07057	2.9
59.04989	1.7
60.04499	0.8
67.05502	5.0
69.03424	22.6
69.07064	5.5
69.48177	3.2
69.48595	4.3
71.04964	1.0
72.04585	0.7
73.02912	2.3
79.05498	7.6
81.03393	1.8
81.07048	100.0
81.59546	0.8
82.07372	1.3
83.08679	0.8
85.02406	1.4
85.02892	18.4
87.04462	17.1
92.91782	0.9
93.07026	1.7
95.04984	0.9
95.08596	21.8
97.02880	20.9
97.06567	1.0
99.04424	2.0
100.11194	0.9
107.08559	1.6
109.06495	0.9
109.10151	1.8
111.08055	1.0
111.11726	1.0
115.03914	33.3
115.04731	1.6
127.03891	3.7
133.04956	36.7
133.10051	0.9
137.13249	25.3
145.02879	0.8
145.04922	5.2
149.13222	1.1
150.00580	0.9
150.07611	5.5
155.14311	1.8
163.03860	0.9
163.06046	1.6
167.03351	2.8
168.03702	0.9
169.04973	2.0
175.05969	0.8
198.37498	1.0
223.05968	1.0
241.07071	1.4
259.08066	2.5
269.17487	1.1
282.66608	0.8
295.10248	2.1
303.05157	2.1
304.05289	4.8
304.08951	3.4
359.15106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99499	0.5
53.03934	1.1
54.24637	0.5
55.01867	3.0
55.05511	1.4
57.03434	5.0
59.04982	1.1
59.58918	0.5
60.04501	0.5
61.02920	4.4
65.03905	0.6
67.05492	3.6
69.03416	8.6
69.07056	1.9
71.01346	1.0
71.04978	0.9
71.57533	0.6
73.02911	15.0
79.05479	6.0
81.03409	2.0
81.07047	100.0
82.07380	1.7
83.04955	0.6
85.02893	25.1
87.04454	1.1
91.03963	1.3
91.05460	3.9
93.07028	2.0
95.04955	0.9
95.08585	9.6
97.02880	15.6
99.04456	2.0
103.03925	0.7
105.07042	1.8
107.08603	0.7
109.02859	2.5
109.10130	3.8
111.04413	0.7
115.03912	8.3
119.04921	7.1
119.08559	2.2
121.10156	1.2
123.04480	0.9
125.06004	0.6
127.03899	9.8
127.15229	0.6
131.76859	0.6
133.04961	11.3
133.10182	0.6
135.11690	0.7
137.05977	1.4
137.09644	1.9
137.13235	35.7
138.13654	0.6
139.03815	0.6
145.04935	12.8
147.04390	21.5
153.01817	0.6
155.10640	3.0
163.05981	5.6
180.08679	0.7
199.05975	0.8
223.06082	2.1
226.88583	0.6
229.04927	0.7
230.05281	0.6
230.42313	0.6
241.07126	2.2
259.08069	6.2
277.09177	1.2
295.10214	4.0
303.05042	6.7
303.08682	1.7
304.05304	12.6
304.08536	1.0
305.05493	0.8
315.05121	1.2
316.05457	1.6
317.19653	1.9
351.12805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01864	2.0
55.05500	2.1
57.03432	5.3
57.07077	0.9
61.02925	3.8
63.15906	0.8
67.05498	6.0
69.03420	9.4
69.07066	4.3
70.48167	3.0
71.04995	0.8
71.32807	0.7
73.02905	12.3
79.05489	8.6
81.03420	2.2
81.07051	100.0
82.07379	1.7
83.04968	1.0
83.08622	1.0
85.02896	20.3
86.03275	0.9
87.04462	1.2
91.03954	1.6
91.05463	1.8
93.07034	3.3
95.04964	1.2
95.08598	19.8
96.08923	0.8
97.02888	13.4
97.06523	1.7
97.10150	1.0
99.04432	0.9
100.11253	1.6
103.03932	1.4
105.06982	1.3
107.04971	1.0
107.08573	2.7
109.02850	2.3
109.10166	2.7
115.03945	7.4
117.06943	0.8
119.08558	1.2
123.04430	1.0
123.11678	0.8
127.03913	7.5
131.08522	1.1
133.04962	12.2
133.10095	1.2
137.02324	1.8
137.05965	1.3
137.13243	24.7
145.04959	8.7
145.10146	1.2
149.09660	0.9
149.13219	1.2
151.07562	0.9
153.01805	1.1
154.15955	1.0
155.14290	1.8
163.03928	1.2
163.06024	3.4
167.03304	0.8
177.12762	1.4
182.82573	0.8
184.11110	0.8
211.15044	1.1
223.06053	1.8
223.62125	1.0
230.05354	1.3
241.07007	1.9
259.08191	3.0
269.17484	3.6
284.05698	1.0
295.10388	2.4
303.05011	7.4
304.05322	16.4
305.05664	1.9
315.05048	1.3
316.05255	2.2
355.04349	2.9
356.04828	7.2
357.05096	1.3
423.30499	2.2
466.08987	1.4
466.20111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.7
57.06818	0.5
57.07066	6.1
58.06569	1.7
65.03928	2.3
70.06588	17.1
71.08623	3.4
71.30821	0.6
71.31143	0.7
79.05508	0.6
79.08089	0.6
84.08135	0.7
85.10164	0.8
88.07626	18.7
95.08551	0.5
97.06554	0.5
102.08545	1.0
102.09171	13.6
121.02826	1.1
133.10081	0.5
139.03891	1.4
146.11722	0.7
149.02332	59.6
149.03391	2.8
150.02568	0.6
165.16739	0.4
193.04955	58.5
194.05301	0.9
212.23662	0.7
237.07556	67.9
238.07915	1.3
256.26331	51.4
257.26715	1.1
300.28986	2.1
303.04919	0.5
304.05261	1.1
404.28204	0.6
466.31613	100.0
467.31900	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00099	0.4
68.84150	0.4
69.73813	2.8
75.75785	0.4
96.33295	0.4
98.97565	0.6
107.04124	0.4
107.91531	0.4
116.98556	0.6
153.00620	0.4
177.00912	0.9
196.87480	0.4
213.27505	0.4
216.98914	1.0
219.01900	0.5
222.97931	0.7
234.99971	10.3
236.00089	0.8
240.98833	2.1
253.01094	3.5
258.99973	27.1
260.00064	1.8
260.99863	0.8
261.02982	1.0
264.98709	3.1
277.01022	31.9
278.01160	2.6
279.01160	0.8
280.00766	0.5
282.99954	51.4
284.00067	3.8
284.99896	1.1
291.99799	1.1
300.02859	0.9
301.01016	100.0
302.01126	6.8
303.01169	2.4
304.00949	0.9
316.98691	0.6
319.02081	5.9
320.02341	0.5
324.02563	4.5
343.02145	0.9
359.00256	1.1
360.99973	0.6
364.99124	0.9
382.99881	0.7
401.01199	4.0
402.01254	1.0
406.99844	4.7
425.01108	27.5
426.01309	1.8
443.02191	87.8
444.02261	7.5
445.02509	1.4
446.02173	0.9
461.03229	1.0
466.03818	9.2
467.03900	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	467.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	5.6
66.05387	4.7
74.07648	4.5
78.08427	4.9
83.04979	4.9
85.02911	14.5
85.07663	6.4
89.03910	8.7
95.04974	9.7
105.03379	5.3
111.04422	8.6
117.03381	5.5
121.02841	14.2
123.04414	100.0
127.03963	6.4
135.04395	15.7
137.02295	7.3
139.03915	25.0
140.53305	4.9
145.02802	6.3
147.04361	7.1
149.02304	8.4
150.96877	5.3
151.03815	9.3
153.01808	7.3
163.03899	62.4
165.01804	15.2
165.05470	7.4
167.16295	5.0
173.02345	11.5
175.97841	5.2
177.01819	18.6
179.03362	14.1
182.86324	4.8
183.02872	16.4
191.03366	16.4
195.02893	22.0
219.02919	14.0
231.02864	15.5
234.96863	6.1
237.05502	5.7
241.43791	4.6
245.04402	6.1
249.03922	11.4
252.97884	12.5
255.06479	11.9
261.04019	9.5
271.05853	5.4
273.07559	9.2
283.06021	8.1
297.07614	9.1
301.06961	20.4
305.13708	9.0
311.05481	5.2
317.06616	22.1
325.06970	13.5
329.06531	19.8
347.07480	14.9
353.06396	5.5
367.08313	8.1
371.07492	10.0
383.07529	17.5
395.07935	6.8
413.08850	5.1
417.04404	6.5
449.13098	4.8
467.09406	7.4
467.19058	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	467.3152
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05490	18.3
57.07066	7.3
58.63014	3.5
60.93953	4.6
67.05502	36.3
69.07070	21.4
79.05482	30.1
81.07045	58.8
83.04950	17.3
83.08606	11.2
91.05458	34.6
93.07032	55.6
95.04957	9.6
95.08598	100.0
97.06503	5.3
99.04399	4.0
105.07011	57.7
107.08589	61.4
109.06472	5.8
109.10143	40.3
111.04388	6.8
111.08053	11.0
117.06976	19.6
119.08567	68.0
121.06482	14.6
121.10132	51.6
123.08058	9.5
123.11694	13.1
124.08460	4.9
125.05968	3.9
128.06166	7.0
129.06987	11.1
131.08562	46.9
133.06474	8.9
133.10127	53.0
135.08044	14.6
135.11688	20.8
137.09641	4.8
139.07564	5.0
141.06952	4.2
142.07744	9.8
143.08553	30.4
145.06459	6.8
145.10098	61.4
147.08040	17.2
147.11685	27.6
149.09607	5.9
149.13260	10.0
155.08546	9.1
156.09300	5.7
157.10114	31.9
159.08063	23.7
159.11665	44.0
161.09605	28.8
161.13249	15.5
163.14769	8.3
167.08551	5.9
169.10088	15.4
171.08044	6.8
171.11690	23.2
172.08821	8.2
173.09619	23.5
173.13223	37.4
175.11108	19.9
175.14799	11.7
179.08659	4.5
179.10570	4.9
181.10033	8.0
182.10934	4.7
183.11673	15.6
185.09550	10.6
185.13206	21.3
187.11160	14.4
187.14819	33.2
189.12683	14.3
189.16394	9.3
193.10168	5.2
195.11729	6.2
197.13211	17.7
199.11154	11.4
199.14810	13.1
201.12717	29.6
201.16406	14.4
203.14272	18.3
209.13150	9.7
211.14795	7.9
213.12733	11.8
213.16321	9.6
215.14240	28.5
217.15863	7.4
219.13837	5.4
221.13278	5.0
223.14854	7.6
225.16396	11.2
227.14276	19.2
229.15839	31.0
229.64412	4.4
231.13777	6.5
233.15300	13.1
239.17838	6.3
241.15926	6.2
245.15425	7.4
247.14697	5.1
247.16895	10.6
259.16858	5.3
281.22491	7.3
291.20963	7.7
301.34143	4.1
305.21024	4.7
309.22003	9.8
313.26227	7.7
327.23111	11.6
353.24606	5.1
369.58832	4.2
389.24594	5.0
403.29861	13.7
413.28278	10.5
421.31082	25.7
431.29346	56.1
449.30405	59.2
450.30591	6.3
467.17038	7.1
467.31451	19.4
467.37479	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03934	8.1
53.29230	3.9
55.05496	20.0
55.69971	4.0
57.03407	5.0
57.07056	15.1
65.30615	3.6
67.05489	33.8
69.07056	19.9
71.08616	6.9
79.05469	27.9
81.07050	58.9
83.04960	16.7
83.08601	9.2
85.10168	4.6
91.05450	38.3
93.07034	51.1
95.04926	10.5
95.08037	6.6
95.08601	100.0
97.06480	8.3
98.98455	9.8
105.07023	51.7
107.08587	54.7
109.06464	9.4
109.10144	37.4
111.04412	4.9
111.08057	9.6
117.06983	17.7
119.08551	62.8
121.06505	11.2
121.10123	45.5
123.08038	16.0
123.11697	17.0
125.09663	5.1
129.06975	10.5
131.08554	42.0
133.10115	53.4
135.08032	11.4
135.11713	20.7
139.07513	5.8
141.06975	7.9
142.07779	10.9
143.08539	32.3
145.10104	62.9
147.07993	13.4
147.11679	34.4
149.09512	7.2
149.13287	7.9
155.01016	10.5
155.08533	17.0
156.09323	10.4
156.43518	4.3
157.10118	40.6
158.10860	6.8
159.08028	20.0
159.11684	46.6
161.09599	29.6
161.13211	20.9
163.11209	5.0
163.14876	4.3
167.08514	4.7
168.09200	6.1
169.10118	14.9
171.08008	4.8
171.11687	32.3
172.08759	5.0
173.09639	28.6
173.13225	38.6
175.11136	13.2
175.14799	11.3
177.09204	6.1
179.10681	4.3
183.11682	17.8
185.09601	17.0
185.13255	27.6
185.37589	4.3
186.10320	5.1
187.11211	19.2
187.14737	24.5
189.12717	14.4
189.16371	12.3
195.11775	7.5
197.09564	4.6
197.13245	16.4
199.11205	7.3
199.14772	12.5
201.12714	33.2
201.16339	10.9
203.14276	9.7
205.12228	4.6
207.11826	6.1
207.13736	5.4
209.13257	9.0
211.11195	5.1
211.14825	8.2
213.12701	10.0
213.16330	9.0
215.14287	24.4
217.15787	10.6
219.13747	21.1
221.13319	4.7
221.15274	6.1
225.16360	12.1
227.14218	10.1
229.15874	16.3
229.46713	5.3
231.13760	7.8
233.15324	18.2
235.14841	6.7
235.17020	5.9
239.14401	5.5
239.18015	5.7
245.15390	15.4
247.16905	20.8
253.15678	4.4
259.16919	9.8
264.35092	4.3
267.17438	10.9
279.17331	4.6
281.22546	9.2
291.21207	7.2
293.19003	5.6
309.22235	19.3
313.27368	17.8
327.23105	18.8
335.23291	5.6
349.25146	4.9
361.24905	5.4
389.24652	7.6
403.29959	8.5
407.25284	5.7
413.28363	11.3
421.30795	32.8
431.29398	39.8
449.30609	50.3
467.31613	33.1
467.37451	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	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.05512	12.7
55.05734	2.4
57.07057	5.3
59.04980	2.1
67.05495	32.4
69.07043	12.5
70.16466	8.8
71.04965	2.4
71.08611	4.8
77.97781	2.0
79.05490	12.6
81.07052	26.1
83.04964	6.2
83.08596	4.8
91.05466	13.4
93.07037	33.4
95.04939	5.3
95.08594	100.0
96.08914	2.5
97.06520	4.2
97.10161	2.9
99.04432	2.4
105.07018	28.3
107.08588	30.3
109.06477	5.3
109.10145	25.9
111.04459	5.2
111.08060	8.3
117.06971	11.7
119.07774	3.3
119.08566	41.7
121.06516	6.1
121.10128	24.3
123.08057	6.6
123.11680	6.8
128.06207	2.8
129.06987	7.8
131.08556	32.7
133.10109	33.1
135.08075	4.4
135.11684	12.2
135.73665	2.1
137.06000	2.8
137.08040	2.3
137.09579	3.6
139.07520	5.5
141.06894	2.7
141.09068	6.3
143.08537	16.4
145.10103	33.7
147.07999	6.9
147.11681	15.4
149.09621	2.9
149.13252	2.6
153.09071	2.4
155.01021	3.7
155.07076	2.1
155.08537	6.0
156.09308	5.1
157.10095	20.1
159.08055	7.1
159.11673	32.0
161.09619	13.7
161.13248	8.4
163.07484	3.7
163.14754	4.5
165.09094	2.8
169.10123	12.5
171.11676	26.4
173.09583	13.9
173.11835	3.9
173.13199	22.1
175.11183	6.4
175.14804	3.9
177.09097	7.0
179.10703	3.8
182.10730	2.2
183.11693	12.9
185.09589	4.4
185.13232	13.8
186.10240	2.5
187.11124	12.2
187.14818	16.2
189.12651	3.1
191.10666	16.3
191.14175	2.3
193.12216	2.8
195.11676	5.0
195.13646	2.9
197.13216	18.0
199.11119	5.1
199.14832	6.5
201.12766	10.7
201.16261	4.5
203.10675	4.7
203.14296	2.5
205.12230	4.7
207.11731	2.6
209.13318	4.0
211.14769	8.8
213.12665	6.9
213.16412	3.6
215.14282	18.8
217.12212	3.2
217.15842	4.5
218.41432	2.3
219.13734	5.8
221.15369	5.1
223.14906	3.3
225.12820	3.5
225.16289	4.2
227.14261	4.4
229.15855	4.5
231.13731	16.2
233.15329	25.9
235.14789	2.6
235.16780	10.2
243.13846	3.7
243.17227	2.1
245.15538	4.2
247.16907	31.7
253.15797	2.7
257.15515	3.8
259.16907	8.0
267.17422	4.4
271.16852	4.0
273.18497	3.4
285.18530	8.5
287.20050	4.0
299.19928	3.2
309.21997	4.8
311.19931	2.9
313.27295	5.8
319.20438	2.6
327.23080	12.0
345.49496	2.5
375.01065	2.2
421.31128	11.3
431.29388	12.7
437.38229	2.4
449.30499	13.0
467.31488	37.9
467.37244	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03924	4.5
53.13449	4.2
55.05493	18.8
63.77820	4.2
67.05496	48.2
69.07058	21.7
71.04987	7.9
71.27689	8.4
79.05502	31.6
81.07047	55.7
83.04967	16.4
83.08629	6.3
85.06510	5.2
91.05478	33.9
93.07033	71.5
95.04958	17.7
95.08598	97.1
97.06525	12.9
97.18347	5.0
105.07021	53.7
107.08577	68.9
109.06466	10.5
109.10134	35.3
111.04431	7.6
111.08059	12.9
113.05981	5.4
117.06966	22.4
119.08570	81.6
121.06508	6.5
121.10108	38.8
123.08053	17.3
123.11682	12.8
125.09590	8.1
128.06215	5.7
129.06961	14.9
131.08553	65.1
132.09361	4.9
133.06459	4.4
133.10112	67.6
135.08066	10.2
135.11665	25.4
137.09589	4.9
139.07520	6.6
141.06993	7.1
141.09126	8.6
142.07767	11.7
143.08559	40.9
145.10106	77.8
147.08018	19.5
147.11656	39.3
149.13264	7.7
155.08527	20.2
156.09314	13.0
157.10103	49.6
158.10857	6.3
159.08049	22.9
159.11668	57.0
161.09564	21.1
161.13249	15.9
167.10689	4.7
167.92134	4.5
169.10106	35.1
170.10953	7.1
171.07990	5.7
171.11658	47.1
173.09660	23.2
173.13234	43.0
175.11157	22.0
175.14787	12.1
177.09109	9.8
181.10057	10.9
181.12254	5.1
182.10861	9.7
183.11668	29.2
185.09630	14.5
185.13245	42.2
186.10272	6.5
187.11174	18.9
187.14822	28.5
189.12753	11.0
191.10684	4.8
193.12149	6.1
194.10748	5.1
195.11685	8.4
195.13744	4.5
197.09634	6.5
197.13268	19.7
199.11206	13.2
199.14804	12.1
201.12756	18.3
203.14301	10.1
205.12079	7.4
207.11719	5.5
207.13832	6.7
209.13315	11.1
211.14778	19.7
213.12772	16.2
213.16370	11.1
215.14240	31.3
217.15869	10.8
219.13739	17.4
221.13300	9.2
221.15442	10.8
223.14818	10.8
225.12711	4.6
225.16284	14.0
227.14265	16.1
229.15881	18.3
231.13805	8.3
233.15318	43.9
235.14825	10.6
235.16962	19.9
239.14194	5.3
239.17914	7.0
241.15863	6.4
243.13736	6.3
245.15381	15.0
247.16913	28.2
249.18616	5.6
253.15898	8.8
253.19386	5.7
267.17358	13.7
269.19116	5.8
271.16949	8.0
279.20978	4.4
281.18643	4.9
285.18439	7.7
287.20197	7.3
291.21060	6.1
293.19232	5.6
297.18784	5.2
299.19974	5.6
307.20633	6.8
309.22055	13.1
325.21631	5.1
327.23160	37.1
339.23026	6.6
368.26709	7.3
389.24472	7.9
403.30386	5.4
413.27826	8.7
421.30798	14.5
431.29416	37.6
449.30420	53.2
467.31537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.05512	12.7
55.05734	2.4
57.07057	5.3
59.04980	2.1
67.05495	32.4
69.07043	12.5
70.16466	8.8
71.04965	2.4
71.08611	4.8
77.97781	2.0
79.05490	12.6
81.07052	26.1
83.04964	6.2
83.08596	4.8
91.05466	13.4
93.07037	33.4
95.04939	5.3
95.08594	100.0
96.08914	2.5
97.06520	4.2
97.10161	2.9
99.04432	2.4
105.07018	28.3
107.08588	30.3
109.06477	5.3
109.10145	25.9
111.04459	5.2
111.08060	8.3
117.06971	11.7
119.07774	3.3
119.08566	41.7
121.06516	6.1
121.10128	24.3
123.08057	6.6
123.11680	6.8
128.06207	2.8
129.06987	7.8
131.08556	32.7
133.10109	33.1
135.08075	4.4
135.11684	12.2
135.73665	2.1
137.06000	2.8
137.08040	2.3
137.09579	3.6
139.07520	5.5
141.06894	2.7
141.09068	6.3
143.08537	16.4
145.10103	33.7
147.07999	6.9
147.11681	15.4
149.09621	2.9
149.13252	2.6
153.09071	2.4
155.01021	3.7
155.07076	2.1
155.08537	6.0
156.09308	5.1
157.10095	20.1
159.08055	7.1
159.11673	32.0
161.09619	13.7
161.13248	8.4
163.07484	3.7
163.14754	4.5
165.09094	2.8
169.10123	12.5
171.11676	26.4
173.09583	13.9
173.11835	3.9
173.13199	22.1
175.11183	6.4
175.14804	3.9
177.09097	7.0
179.10703	3.8
182.10730	2.2
183.11693	12.9
185.09589	4.4
185.13232	13.8
186.10240	2.5
187.11124	12.2
187.14818	16.2
189.12651	3.1
191.10666	16.3
191.14175	2.3
193.12216	2.8
195.11676	5.0
195.13646	2.9
197.13216	18.0
199.11119	5.1
199.14832	6.5
201.12766	10.7
201.16261	4.5
203.10675	4.7
203.14296	2.5
205.12230	4.7
207.11731	2.6
209.13318	4.0
211.14769	8.8
213.12665	6.9
213.16412	3.6
215.14282	18.8
217.12212	3.2
217.15842	4.5
218.41432	2.3
219.13734	5.8
221.15369	5.1
223.14906	3.3
225.12820	3.5
225.16289	4.2
227.14261	4.4
229.15855	4.5
231.13731	16.2
233.15329	25.9
235.14789	2.6
235.16780	10.2
243.13846	3.7
243.17227	2.1
245.15538	4.2
247.16907	31.7
253.15797	2.7
257.15515	3.8
259.16907	8.0
267.17422	4.4
271.16852	4.0
273.18497	3.4
285.18530	8.5
287.20050	4.0
299.19928	3.2
309.21997	4.8
311.19931	2.9
313.27295	5.8
319.20438	2.6
327.23080	12.0
345.49496	2.5
375.01065	2.2
421.31128	11.3
431.29388	12.7
437.38229	2.4
449.30499	13.0
467.31488	37.9
467.37244	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	467.3154
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03943	6.9
55.05499	19.6
63.41689	3.4
65.03944	4.4
67.05502	35.3
69.07050	16.7
71.57590	3.5
79.05486	29.0
81.07047	36.8
83.04987	25.9
83.08620	5.6
85.06541	5.7
91.05465	30.7
93.07034	51.2
95.04941	9.3
95.08598	99.2
97.06536	7.1
97.10146	5.0
100.31451	3.6
105.07019	63.2
105.07674	7.1
107.08573	50.9
109.06503	9.6
109.10140	30.0
111.04441	11.0
111.08089	8.6
113.05996	4.1
117.06992	14.0
119.08566	66.7
120.08915	3.6
121.06501	10.7
121.10150	29.9
123.08050	16.1
123.11674	8.4
125.09615	7.0
129.07002	9.4
131.08557	45.7
133.10115	68.6
135.08101	9.8
135.11656	15.2
137.09592	4.2
139.07500	8.8
141.06889	6.7
142.07767	11.9
143.08533	31.0
144.09312	5.6
145.10104	58.4
147.08014	10.9
147.11681	38.2
149.09587	7.5
149.13248	7.2
155.08517	21.1
156.09326	37.1
157.10124	44.4
158.10849	6.3
159.08008	23.9
159.11674	64.9
161.09628	23.3
161.13205	19.4
163.11201	4.6
163.14825	5.4
169.10184	19.1
171.07996	6.2
171.11687	100.0
172.08873	6.1
173.09581	19.0
173.13243	46.3
175.11179	14.6
175.14798	24.8
179.08598	5.2
181.10085	8.5
182.10780	4.7
183.11681	25.1
185.09639	7.6
185.11641	5.0
185.13202	30.7
186.10400	6.0
186.13887	5.4
187.11162	16.1
187.14799	28.1
189.12744	10.8
189.16342	24.2
195.11676	11.9
197.09593	4.9
197.13284	23.1
199.14807	19.8
201.12718	16.4
201.16269	4.8
203.14272	10.0
203.17957	6.7
207.11728	4.8
209.13266	10.7
211.11018	4.8
211.14787	17.2
212.15515	9.1
213.12714	30.2
213.16360	10.7
215.14302	53.7
217.15852	33.5
219.13733	7.2
221.15320	4.9
223.14859	9.9
225.12772	4.7
225.16389	9.8
227.14258	9.6
229.15877	20.7
231.13789	14.8
231.17345	10.4
233.15331	22.4
235.14766	6.8
237.16374	10.9
239.17915	10.9
245.15430	5.4
251.17952	9.2
253.15871	5.0
253.19525	4.8
255.17514	6.3
265.19409	7.6
267.21005	16.1
277.19531	4.4
281.19058	8.4
281.22601	5.4
291.21008	15.0
307.20352	5.5
309.22052	38.1
327.23096	5.4
335.23611	10.5
353.24423	4.9
389.28500	6.0
403.30011	7.4
407.29565	7.5
413.28058	6.0
421.30960	6.3
423.28943	5.8
431.29364	29.4
449.30457	57.4
467.31662	48.9
468.31631	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	467.315
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.01938	4.1
53.03937	6.3
55.01838	4.7
55.05503	20.2
57.07078	7.7
66.91673	3.4
67.05490	48.1
69.07059	17.2
70.13360	10.3
70.13755	7.0
71.04980	6.2
74.27025	3.6
77.47680	3.6
79.05482	31.5
81.07045	59.4
83.04969	16.4
83.08585	7.8
85.06540	7.7
91.05463	39.8
93.07031	61.7
95.04963	16.1
95.08591	100.0
97.06527	10.6
98.21447	5.1
105.07018	64.5
107.08584	59.3
109.06510	9.4
109.10117	32.4
111.04426	12.7
111.08061	18.2
117.06995	21.5
119.08566	75.3
119.97607	3.8
121.06530	11.2
121.10119	54.2
123.08044	18.5
123.11707	13.0
128.06226	6.4
129.06976	11.7
131.08559	45.5
133.06471	4.5
133.10126	66.3
135.08029	12.7
135.11682	26.3
137.06027	3.8
139.07539	9.4
141.06975	7.7
141.09126	6.7
142.07805	4.5
143.08531	31.9
145.10095	77.4
147.08037	13.6
147.11655	50.2
149.09563	6.8
149.13235	12.6
153.09175	4.0
154.07857	4.1
155.08517	12.1
156.09351	6.4
157.10101	35.4
159.08067	14.6
159.11659	48.4
161.09604	23.1
161.13251	19.4
163.11182	14.5
167.08478	4.3
169.10112	22.9
171.08003	5.8
171.11685	38.1
173.09630	20.7
173.13264	35.2
175.11217	14.3
175.14830	9.4
179.10713	8.9
181.10080	7.4
181.12297	8.0
183.11673	20.7
185.09604	15.9
185.13234	23.6
186.10416	4.8
187.11200	19.5
187.14848	25.4
189.12689	11.8
189.16330	8.2
191.10672	4.7
193.04987	4.1
193.12126	6.2
195.11720	13.0
197.09523	4.7
197.13269	17.1
199.11179	12.9
199.14755	16.7
201.12718	15.3
203.10655	5.2
203.14291	9.0
205.12262	11.2
207.11789	9.1
207.13704	8.2
209.13258	9.1
211.14812	11.6
213.12791	14.3
213.16380	12.5
215.14285	17.4
217.15895	4.9
219.13823	10.6
221.15344	15.1
223.14883	5.7
225.12761	5.4
225.16420	13.1
227.14261	8.7
229.15926	14.2
231.13834	5.6
233.15265	33.3
235.16794	23.2
239.14133	6.1
239.18065	4.5
243.13797	6.2
245.15425	13.5
247.16968	32.6
251.17906	4.4
257.15411	6.7
263.17847	5.6
267.17429	6.1
269.18887	5.3
273.18594	6.6
281.22733	5.9
285.18488	4.3
287.19998	15.1
291.20938	5.3
295.20395	4.5
309.22058	12.0
313.21539	8.1
327.23260	31.8
335.23563	7.7
368.27280	6.1
389.24472	5.9
421.30905	12.3
431.29663	29.2
449.30609	39.7
467.32068	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3152
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05503	20.6
67.05499	75.5
69.07063	30.0
71.04996	21.6
71.07954	20.0
74.22824	7.7
79.05492	36.5
81.03426	10.1
81.07047	93.3
83.04973	19.5
83.08627	18.7
91.05479	56.1
93.07030	74.8
95.04956	24.7
95.08603	100.0
97.06512	10.9
105.07015	67.0
107.08585	63.2
107.33913	8.2
109.06496	16.7
109.10199	39.3
111.08047	13.9
117.06996	14.4
119.08582	78.7
121.06516	12.3
121.10146	39.2
123.08078	12.6
123.11736	10.1
129.06981	17.2
131.08534	58.9
133.10107	67.0
135.08011	11.9
135.11685	23.4
139.07507	10.6
143.08540	38.4
145.10139	58.5
147.11668	36.7
149.09656	11.6
149.13210	12.1
155.08492	12.6
157.10114	33.0
159.08060	12.8
159.11659	40.3
161.09610	25.9
161.13268	21.5
163.11206	9.7
169.10156	22.9
171.11690	25.2
173.09563	17.3
173.13257	33.1
175.11195	17.8
175.15001	9.9
181.12259	9.4
183.11696	27.1
185.13190	10.6
187.11290	12.3
187.14824	26.1
189.12653	9.5
193.12251	15.7
195.11748	14.2
197.13229	17.0
199.11169	12.2
199.14890	10.8
201.12796	18.4
205.12244	11.2
207.13733	12.7
213.12749	10.8
215.14279	15.1
221.13338	9.7
229.16003	10.8
233.15381	21.0
235.16853	14.7
245.15378	11.6
247.16949	37.8
259.16910	10.8
285.18347	9.5
305.05545	9.3
327.23215	24.8
431.30060	16.8
449.31003	17.1
467.31860	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.3
55.90595	1.6
57.07071	33.0
59.04996	3.0
59.33500	1.6
59.36568	1.4
59.95873	1.4
61.26205	1.3
65.03909	3.0
67.05497	100.0
67.98637	1.5
69.07059	7.7
71.04981	2.1
71.08621	20.5
71.53540	1.8
79.05481	2.8
81.07045	25.6
83.08611	14.3
85.06521	2.4
85.10174	14.2
91.05468	4.5
93.07026	3.8
95.08596	24.3
97.10149	4.9
107.08567	2.8
109.10146	71.2
110.10459	2.1
111.08067	3.1
119.08553	5.1
123.11688	6.0
125.13218	1.9
137.09593	3.1
137.13263	2.7
152.08250	1.8
155.10605	3.1
157.10059	1.6
167.07036	4.7
169.07507	2.4
173.11722	22.7
239.23709	5.8
349.11160	1.8
467.37292	75.7
468.37509	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	467.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
57.03418	1.3
57.07070	32.8
59.04979	3.5
65.03919	2.2
67.05498	100.0
69.03409	2.0
69.07061	9.5
69.25037	9.9
71.04976	1.8
71.08627	24.4
79.05472	3.2
81.07053	27.5
83.08617	14.8
85.06509	2.7
85.10168	11.7
91.05464	4.0
93.07032	3.4
95.08595	23.0
97.10165	5.4
105.07028	1.2
107.08575	2.3
109.10144	76.6
110.10439	1.1
111.08084	3.1
111.11686	1.1
119.08549	5.8
123.11718	5.7
125.09600	0.9
125.13251	1.7
137.05962	1.6
137.09636	4.5
137.13225	3.7
144.40088	0.9
155.10657	4.2
157.10095	1.0
173.11723	26.5
221.22488	1.2
239.23685	8.1
467.37296	83.6
468.37534	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13911	3.0
53.03931	9.2
55.01861	10.5
55.05509	24.2
55.63228	3.0
57.03426	7.9
57.07052	5.5
61.02911	13.6
67.05492	35.7
68.99781	14.5
69.03417	47.7
69.07059	31.8
71.04987	31.9
73.02915	4.5
77.03892	3.0
79.05483	26.3
81.03414	29.1
81.07043	100.0
83.04971	10.1
83.08608	15.7
85.02897	41.3
85.06527	4.8
87.00822	21.8
91.05463	31.4
93.07034	59.3
95.04939	20.4
95.08593	92.2
97.02877	23.0
97.06528	13.3
97.10162	12.0
99.04443	7.4
99.08097	9.4
103.03926	7.3
105.01859	14.1
105.07014	65.7
107.04937	5.9
107.08571	59.1
109.02867	20.1
109.06522	11.4
109.10149	71.2
111.04433	11.1
111.11698	5.1
115.03934	11.7
117.06987	10.8
119.08554	61.3
121.06488	10.1
121.10126	50.6
123.04383	6.1
123.08063	13.2
123.11711	34.8
125.05949	6.0
125.09652	7.0
127.03922	25.9
127.11175	30.4
128.06212	6.6
129.01805	12.0
129.06979	10.9
131.08521	22.0
133.06494	3.9
133.10109	47.3
135.08064	5.8
135.11653	32.4
137.05989	11.6
137.09576	10.8
137.13226	19.5
139.11147	6.1
142.07768	5.3
143.08560	14.0
144.09372	4.7
145.04997	4.0
145.06418	5.6
145.10103	37.7
147.02892	9.4
147.08014	5.6
147.11674	28.6
149.09601	4.9
149.13242	21.1
151.07581	6.6
151.11150	5.8
153.12691	7.4
154.07704	4.0
155.08574	9.5
156.09294	3.7
157.10106	27.8
157.51012	3.2
159.02878	7.7
159.08041	8.1
159.11647	47.0
161.09601	10.0
161.13217	20.8
163.03911	8.5
163.07561	4.2
163.11157	10.4
165.09149	7.0
165.12766	5.9
168.09390	4.5
169.10120	11.9
171.11726	19.4
173.09647	4.0
173.13234	15.4
175.11256	7.6
175.14833	11.9
177.12727	4.4
177.16351	10.1
181.08571	4.7
181.10109	6.2
183.11687	8.8
185.09618	5.5
185.13284	10.4
187.11185	7.3
187.14812	10.1
189.12755	5.1
189.16356	14.8
191.14359	3.8
191.17921	8.3
192.09435	3.9
193.15839	6.6
193.19525	6.0
195.11789	6.4
195.17422	5.0
197.13197	7.6
201.03926	12.9
201.12668	6.6
201.16364	11.5
203.10728	4.0
203.14276	3.4
203.17943	24.0
205.12119	4.4
205.19609	4.9
207.11800	7.9
211.14996	3.2
213.12770	6.3
213.16472	5.4
215.14479	5.0
215.18065	5.5
219.17361	15.8
221.18910	17.7
225.12720	11.6
227.17944	4.7
231.04916	4.7
231.17316	5.1
233.19054	4.9
241.15895	6.5
243.13791	5.1
245.18993	13.6
259.09625	9.1
261.18631	4.1
263.20020	9.0
269.18781	4.8
283.20667	5.7
287.19885	5.1
293.19150	6.1
311.20087	19.4
329.21127	17.7
347.21988	5.7
381.34879	3.5
415.21078	5.7
433.22110	9.0
451.23297	9.6
469.23993	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	469.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.1
55.01866	18.6
55.05507	23.8
55.46544	3.0
57.03428	9.3
57.07064	9.2
59.04994	4.4
61.02908	9.9
63.23407	3.6
67.05493	38.1
68.99773	14.5
69.03412	55.3
69.07057	34.0
69.32143	35.6
71.04981	36.1
73.02895	9.5
79.05483	35.1
81.03414	38.8
81.07053	100.0
82.62562	3.8
83.04951	10.8
83.08615	18.2
85.02897	59.0
85.06529	6.7
87.00819	34.5
91.05463	38.3
93.07041	60.5
95.04964	21.8
95.08592	97.5
97.02872	30.7
97.06518	6.7
97.10164	13.1
99.04484	7.7
99.08086	7.2
103.03935	9.6
103.05482	3.8
105.01842	17.0
105.07024	64.1
107.04934	9.6
107.08575	75.9
109.02837	23.7
109.06493	10.2
109.09454	6.6
109.10146	82.4
109.65749	4.3
111.04425	14.5
111.08044	6.1
113.09647	4.0
115.03931	18.4
115.04632	3.3
117.07020	14.4
119.08571	72.7
121.06503	11.4
121.10129	51.8
123.04399	9.2
123.08059	11.7
123.11687	41.1
125.09581	13.7
127.03876	26.2
127.11165	27.8
128.06223	5.1
129.01813	16.7
129.06981	13.0
131.08562	30.5
133.10114	47.1
135.08031	13.1
135.11679	40.6
137.05939	8.0
137.09586	8.8
137.13234	13.5
141.06918	7.2
142.07735	7.5
143.08543	19.2
145.06470	7.0
145.10106	44.7
147.02921	5.2
147.08061	9.2
147.11652	44.6
149.09575	8.4
149.13249	30.6
151.11194	6.7
153.12732	7.7
155.08551	6.5
156.09215	5.9
157.10112	32.4
159.02861	9.1
159.08043	8.5
159.11661	46.2
161.09555	8.1
161.13210	18.7
163.03854	4.3
163.11244	6.0
163.14769	6.5
165.09146	6.0
165.12769	3.9
169.10114	12.2
171.02818	4.8
171.08023	4.8
171.11665	23.7
173.02396	4.0
173.09622	8.2
173.13252	23.8
175.11137	6.8
175.14825	15.3
177.12747	9.2
177.16345	7.7
179.08556	4.7
179.10443	3.6
181.10153	6.3
183.11717	11.1
185.09668	4.4
185.13188	11.7
187.11131	9.6
187.14803	14.7
189.03958	4.7
189.09074	8.0
189.12720	12.6
189.16336	15.4
191.10629	4.1
191.14221	10.9
191.18002	6.0
193.15967	3.8
193.19560	8.3
195.11682	8.1
197.13191	7.6
199.14795	6.7
201.03903	12.3
201.12660	12.8
201.16426	19.8
203.14359	4.4
203.17943	34.1
205.19481	4.6
207.11687	9.8
213.12708	6.2
213.16296	8.9
215.17960	6.8
217.19475	3.9
219.04886	4.6
219.13821	3.8
219.17421	16.5
221.18968	13.7
225.12654	10.1
225.16280	6.2
227.17943	9.1
231.17398	8.7
233.19035	6.9
241.15919	7.2
243.13808	8.8
243.17410	10.0
245.18945	14.5
257.18991	7.5
259.16830	4.6
261.14835	4.6
263.20084	7.9
269.19141	5.1
287.19946	5.7
293.18976	7.3
311.20059	21.2
329.21088	20.2
365.23285	4.8
383.24399	4.3
415.20853	8.2
433.22070	13.2
443.13678	3.7
451.23007	20.9
469.24564	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.4
55.01859	15.1
55.05500	32.3
57.07056	11.6
67.05499	62.1
68.99780	13.5
69.03429	42.4
69.07068	43.4
70.89520	8.9
71.04973	27.2
71.57646	21.0
79.05486	34.5
80.79962	8.4
81.03397	34.4
81.07050	100.0
83.04988	10.4
83.08594	21.5
85.02903	51.4
87.00816	25.5
91.05476	28.4
93.07028	65.6
95.04972	30.1
95.08603	88.4
97.02889	31.3
97.06537	11.1
97.10159	16.2
99.04432	8.2
103.03909	9.6
105.01889	14.6
105.07036	66.8
107.04948	12.9
107.08584	80.6
109.02899	16.3
109.06519	13.5
109.10134	58.2
111.04446	12.4
111.08067	9.7
115.03920	9.8
117.07010	17.8
119.08566	83.9
121.06571	13.5
121.10152	64.6
123.04426	18.3
123.08063	19.1
123.11711	41.0
125.09660	8.5
127.03887	25.5
127.11190	19.7
128.06142	8.4
129.01872	11.7
129.06993	12.1
131.08562	33.5
133.10136	61.0
135.08044	17.5
135.11688	47.0
137.05983	11.0
137.13287	15.1
143.08578	28.1
145.10121	48.2
147.11668	54.2
149.09605	18.0
149.13264	27.0
157.10144	31.5
159.11624	48.6
161.09676	9.9
161.13278	25.8
169.10098	13.5
171.11649	19.1
173.09680	8.6
173.13257	13.9
175.11195	20.6
175.14856	13.0
183.11716	17.0
187.11201	9.7
187.14806	19.6
189.03845	8.4
189.16364	10.8
191.14340	10.9
193.19647	9.5
195.11626	8.6
199.11053	10.1
201.03874	13.8
201.16386	20.8
203.17932	33.3
207.11816	12.4
219.17520	9.5
231.17290	10.1
237.39063	8.6
243.13588	9.1
245.19072	11.4
257.19131	10.0
259.17010	11.5
263.20029	10.6
311.20047	23.4
329.21317	16.8
365.23602	9.7
433.22397	11.7
451.23328	17.1
451.32565	11.4
469.24438	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3305
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05500	36.0
67.05489	29.5
69.07050	24.4
69.25684	10.8
69.26099	36.7
71.04974	7.4
71.08593	4.4
75.16782	4.2
79.05479	20.5
81.07045	43.7
83.04958	15.8
83.08598	14.8
91.05453	30.6
93.07027	56.2
95.04932	4.7
95.08034	7.8
95.08595	100.0
97.06530	10.0
97.10154	14.9
98.21509	8.3
99.04414	5.1
105.07020	44.5
106.90334	4.7
107.08580	62.5
108.03768	4.1
109.10140	35.5
111.04385	7.9
111.08066	16.1
115.07581	4.0
117.06969	8.9
119.08559	64.1
121.06469	5.7
121.10136	52.2
123.08030	16.2
123.11674	10.0
125.09582	7.2
131.08531	34.1
133.10114	63.7
135.08020	13.1
135.11676	35.2
137.09607	8.0
137.13193	7.8
139.07579	8.3
141.09018	5.9
142.07718	6.2
143.08562	25.3
145.09030	6.5
145.10095	51.9
146.10844	4.9
147.08032	6.2
147.11671	36.2
149.13231	16.0
156.09328	8.7
157.10098	34.1
158.10808	4.9
159.11662	50.1
161.09625	17.5
161.13257	17.9
163.11172	6.7
165.09093	6.5
167.08601	6.2
167.10550	5.9
169.10181	9.6
170.10881	5.0
171.11624	34.7
173.09584	12.2
173.13211	30.0
175.11105	17.2
175.14742	17.6
176.08372	4.4
179.10646	11.8
181.10124	5.4
183.11685	17.0
185.09610	9.2
185.13237	30.0
187.11136	15.2
187.14769	32.1
189.12715	11.4
189.16322	9.2
193.12202	7.0
195.11653	12.7
197.13225	16.5
199.14754	25.8
201.12662	13.0
201.16327	13.4
203.14201	7.2
203.17802	5.4
207.11816	4.6
207.13802	7.0
209.13258	9.2
211.14772	12.0
213.12726	14.2
213.16364	13.6
215.14276	14.9
215.17873	8.7
217.15906	7.7
219.13930	7.5
219.17430	10.2
221.15382	8.6
223.23409	5.5
225.16357	6.0
227.14220	7.5
227.17896	9.7
229.15735	11.2
231.13716	12.4
231.17439	11.4
233.15343	15.2
235.16881	10.4
237.16338	5.9
245.15372	13.2
249.18495	12.5
251.18002	6.2
257.19241	6.0
267.21054	6.7
285.18466	7.6
287.19974	5.6
293.22583	10.9
311.23669	19.2
329.24832	28.5
405.31491	10.1
409.30997	67.1
415.29608	7.6
423.32520	8.7
433.31085	48.9
451.31924	62.7
469.33127	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05523	23.9
67.05499	54.7
67.22203	5.3
69.07055	23.0
69.22003	4.6
72.00117	4.6
79.05482	26.7
81.07043	63.5
83.04975	9.6
83.08624	13.6
91.05484	27.0
93.07030	68.2
95.04974	12.3
95.08597	100.0
97.06510	7.9
99.04424	7.8
102.59973	5.8
105.07019	62.7
107.08582	79.4
107.84790	5.3
109.06486	6.1
109.10130	76.2
111.08052	7.8
113.06033	8.0
117.06988	11.6
119.08569	70.9
121.06498	11.9
121.10111	65.4
123.08051	16.5
123.11671	21.5
131.08572	33.1
133.10098	44.4
135.08040	12.1
135.11639	29.0
137.09613	30.8
139.07478	11.1
141.09070	16.8
143.08578	12.7
145.10086	50.4
147.07977	13.4
147.11676	33.9
149.09613	9.0
149.13184	10.5
153.09039	9.1
155.10654	25.5
157.10094	30.7
159.11678	51.3
161.09579	18.5
161.13222	24.3
169.10098	12.7
171.11665	20.1
173.09621	6.4
173.13246	37.0
175.11136	11.5
175.14795	16.6
177.16316	7.2
179.10580	4.8
181.12149	9.2
183.11682	10.7
184.25369	4.8
185.09612	6.3
185.13194	18.8
187.11064	12.4
187.14807	21.1
189.12698	9.5
189.16397	7.2
191.10638	10.0
195.13774	8.0
197.13275	9.1
199.11034	6.5
199.14799	12.8
201.12692	6.7
201.16351	20.4
203.14320	7.7
205.12225	9.4
205.65340	5.9
207.13844	9.5
209.13301	6.7
209.15350	6.8
211.14743	9.4
213.16379	6.6
215.14276	10.7
215.17915	5.8
217.15906	5.3
219.13739	6.2
221.15395	8.0
229.19641	6.2
229.52177	4.8
233.15338	8.9
235.16946	10.6
247.16953	12.2
249.18510	9.5
252.15898	5.6
252.45239	5.2
255.07152	6.0
259.16971	9.7
261.18396	25.0
273.18356	13.0
275.20255	8.8
285.18185	6.7
287.19998	9.3
289.21899	6.2
301.21564	12.5
311.23514	6.7
315.23117	13.1
327.23273	7.2
329.24631	23.3
384.52991	6.1
395.29608	6.1
415.29767	8.9
423.32407	16.9
433.30823	29.5
441.48795	5.6
451.31790	35.3
469.32990	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3306
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.27911	6.2
53.03916	7.8
55.05502	18.0
57.07055	19.6
67.05492	52.7
69.07053	17.2
69.43690	47.5
71.05008	6.1
71.08609	6.3
77.02096	6.2
79.05462	29.7
81.07031	52.4
81.10990	5.3
82.60633	5.0
83.04975	11.3
83.08596	12.1
88.16333	6.1
89.05984	13.8
91.05482	34.5
93.07023	65.4
95.04919	9.3
95.08600	100.0
97.06526	11.8
97.10149	7.2
98.21498	11.3
105.07011	36.8
107.08583	71.8
109.06516	14.3
109.10144	69.3
111.08074	10.8
117.06982	20.2
119.08562	57.1
121.10120	51.1
123.08036	27.1
123.11703	14.5
125.09599	14.3
127.07547	9.6
129.06966	13.2
131.08559	27.5
133.10117	42.6
135.08044	16.7
135.11691	28.9
137.09587	15.6
141.09163	8.7
142.07724	7.1
143.08519	19.8
145.10104	41.6
147.11652	25.2
149.13315	6.6
155.08528	10.4
157.10112	27.4
159.08107	6.3
159.11693	42.5
161.09610	7.6
161.13235	27.2
163.11140	10.8
163.14833	8.4
169.10098	19.5
171.11684	29.0
173.09662	10.3
173.13242	32.7
175.11157	9.8
175.14757	14.6
183.11678	20.9
185.13255	13.0
187.11185	9.7
187.14789	17.3
189.12643	8.7
189.16261	8.3
195.11650	8.6
197.13284	17.1
199.14827	15.8
201.12703	8.4
201.16347	10.0
203.14301	6.0
211.14775	9.1
213.16406	13.1
215.14214	20.0
215.40639	6.1
217.15849	11.2
223.14815	7.8
227.17831	5.9
229.15895	13.7
235.14691	7.8
235.16913	6.8
241.15785	9.6
255.17511	8.3
261.18472	9.0
269.18918	11.1
275.75192	6.2
297.22214	7.1
299.07639	6.4
311.23563	14.4
328.29089	6.0
415.29742	9.0
433.30920	41.5
451.31882	49.5
469.32690	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03922	4.8
55.01853	3.1
55.05507	35.2
57.07059	6.8
67.05497	35.0
69.03381	1.8
69.07059	27.3
69.36938	18.4
71.04977	3.8
71.08616	3.6
77.39861	2.1
79.05501	21.4
81.06575	2.7
81.07047	48.5
83.04964	15.1
83.08614	19.9
85.06514	3.4
85.11996	2.1
91.05476	26.0
93.07034	52.1
95.04943	9.4
95.08596	100.0
97.06498	7.6
97.10169	14.5
98.21526	4.0
99.04441	6.3
99.08056	2.9
101.05987	6.3
105.07021	51.5
107.04882	2.2
107.08583	69.0
109.06495	6.9
109.10136	35.9
111.04427	8.5
111.08072	13.2
113.05962	3.3
117.06981	9.7
119.08566	53.2
119.09438	2.7
121.06460	7.7
121.10135	48.6
123.08015	15.5
123.11684	16.8
125.09592	3.2
129.06985	10.9
130.07780	2.6
131.08563	29.6
133.10117	56.9
135.08031	8.0
135.11655	23.6
137.05981	2.7
137.09520	2.5
137.13205	6.6
139.07497	4.1
141.06940	2.8
141.09053	5.9
142.07738	5.7
143.08553	23.2
144.09267	3.5
145.10106	52.8
147.07997	7.7
147.11670	30.6
149.09596	7.3
149.13231	13.9
153.09035	5.0
155.08527	7.5
156.09317	7.3
157.10092	34.8
159.08047	6.2
159.11671	45.1
161.09633	19.7
161.13216	14.7
163.11148	5.3
163.14781	3.0
167.10649	4.0
169.10129	13.0
170.10925	3.1
171.11684	34.1
172.08868	3.0
172.12454	3.6
173.09567	9.1
173.13242	32.4
175.11169	17.3
175.14801	10.3
177.12756	4.3
179.10652	7.8
181.10144	3.3
181.12238	4.7
183.11696	16.1
185.09618	5.2
185.13232	29.7
186.10384	3.5
187.11183	10.9
187.14772	23.3
189.12680	9.2
189.16374	8.7
193.10237	2.8
193.12250	4.5
195.11676	6.9
195.13638	4.1
196.12321	2.4
197.13240	17.8
199.11163	6.9
199.14769	20.1
201.12790	10.0
201.14763	2.0
201.16336	13.7
203.14301	7.9
203.17972	4.7
205.12234	4.3
205.15851	3.1
207.11693	5.1
207.13643	4.7
209.13243	9.5
211.14784	13.1
213.12828	13.0
213.16324	13.2
215.14230	12.2
215.17961	8.0
217.12253	2.9
217.15875	6.7
219.13760	8.2
219.17407	7.6
221.15375	9.0
223.14874	5.8
223.16922	5.8
225.12674	3.5
225.16393	7.6
226.17082	5.7
227.14238	9.8
227.17947	9.7
229.15851	5.9
229.19530	5.3
231.13760	7.3
231.17441	6.3
233.15355	14.7
235.14789	3.7
235.16968	7.5
237.16426	7.7
239.14252	2.6
239.17886	5.1
241.15825	3.7
243.17451	3.5
245.15370	8.1
247.17003	6.5
249.16289	3.1
249.18526	12.6
250.17003	2.0
251.17897	5.8
253.15929	2.6
253.19307	3.1
255.17349	2.4
257.18964	3.7
259.17032	3.4
261.18500	4.4
263.17783	2.2
263.20242	2.8
265.19424	3.2
267.17365	2.6
267.20963	6.6
269.18976	4.2
269.22629	8.8
273.18481	4.3
275.19958	4.5
283.20490	3.8
287.20010	4.3
289.21545	6.7
293.22635	11.7
295.20581	3.3
301.21783	2.9
309.22110	4.5
311.23697	13.2
324.42953	2.6
325.21439	2.9
327.23148	7.9
329.24670	21.9
337.25146	5.0
341.24582	3.3
353.24625	2.5
353.89087	2.3
355.22668	3.7
365.24686	2.6
367.26434	4.2
369.28024	3.9
373.24808	2.6
385.23663	3.1
391.26242	3.8
405.31351	6.0
409.31021	63.8
415.29807	7.4
423.32404	6.7
433.30991	49.3
451.32053	67.9
452.32602	2.9
469.33096	48.8
470.33487	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.14008	2.2
53.03932	5.9
55.01857	3.4
55.05507	35.4
57.07076	4.7
65.03921	3.4
66.85653	3.0
67.05493	30.7
69.03410	4.2
69.07059	27.8
69.35536	17.1
69.35959	6.2
71.04987	3.3
73.96124	2.6
78.81429	2.4
79.05481	22.2
81.07043	42.1
83.04983	12.0
83.08614	13.8
85.06533	6.3
87.04458	3.3
91.05459	20.7
93.07029	52.2
95.04948	7.4
95.08596	100.0
96.81170	2.3
97.06518	7.7
97.10153	15.8
98.21478	3.4
99.04442	9.1
100.34078	2.8
101.06011	4.8
105.07023	48.2
107.08574	65.4
109.06535	6.7
109.10141	36.1
111.04446	4.8
111.08050	11.0
113.06020	4.6
117.07018	7.2
119.08575	51.6
121.06493	7.4
121.10132	49.9
122.55376	3.2
123.08079	13.8
123.11675	12.2
128.06186	4.6
129.07016	6.3
131.08540	32.0
133.10114	50.6
135.08035	10.0
135.11662	24.3
137.09586	4.9
137.13242	7.6
139.07523	10.3
141.09058	6.2
142.07739	3.5
143.08525	18.9
144.09300	3.4
145.10100	53.9
147.08023	9.7
147.11671	33.7
149.09578	7.5
149.13239	14.8
153.09106	4.1
155.08533	8.7
156.09340	4.9
157.10095	34.5
158.10861	4.3
159.08022	5.2
159.11668	54.8
159.12860	4.9
161.09619	17.6
161.13243	18.2
163.11192	9.2
163.14790	4.7
165.12709	3.8
167.08502	3.5
167.10701	5.5
169.10112	15.0
170.10876	3.8
171.11674	32.0
173.09602	10.0
173.13251	35.1
175.11153	12.6
175.14813	9.0
177.16357	4.9
179.10626	6.3
181.10085	6.8
181.12187	4.3
182.10899	4.0
183.11627	13.4
184.12535	2.9
185.13214	28.7
186.10431	4.7
187.11163	8.7
187.14821	23.2
189.12744	6.5
189.16354	5.9
191.10666	3.2
193.12204	5.2
195.11681	11.2
195.13791	7.1
197.13213	15.9
199.11229	5.2
199.14780	14.1
201.12743	7.9
201.16338	11.8
203.14296	6.4
203.17937	4.1
205.12283	5.4
205.15900	3.2
207.11728	4.6
207.13731	6.0
209.13248	9.4
211.11235	3.2
211.14792	10.6
213.12704	13.4
213.16359	17.3
215.14281	15.1
215.17912	7.2
217.15881	7.4
219.13763	8.5
219.17441	3.9
221.15314	5.8
223.14780	6.6
223.16888	7.5
225.16286	6.2
227.14302	10.3
227.17885	7.7
229.15924	6.2
229.19472	3.3
231.13750	9.3
231.17416	6.2
233.15331	10.9
235.14777	4.4
235.17030	7.4
237.16318	7.5
237.18527	4.0
239.17876	5.3
241.16051	3.6
241.19559	5.0
243.17403	3.8
245.15256	12.0
245.18924	4.4
247.16963	6.1
249.18520	10.0
251.17850	5.0
253.15797	3.9
253.19435	3.0
255.17508	5.6
257.18872	5.4
259.16843	3.7
267.17386	3.2
267.21085	8.0
269.19641	2.8
269.22623	12.1
271.20569	4.7
273.18381	5.0
275.20007	4.7
283.20444	3.0
285.18445	4.6
287.19946	3.9
293.22617	13.3
295.24066	3.6
297.21985	2.9
299.20251	4.1
309.22098	7.0
311.20465	3.2
311.23672	11.9
313.21552	6.3
327.23035	7.2
329.24722	19.2
337.25122	6.2
351.26743	3.8
353.24554	2.9
391.26007	3.1
405.31320	3.9
409.31058	69.6
415.30075	8.4
423.32300	6.5
433.30963	42.5
434.31091	2.7
444.07718	2.7
451.32001	58.2
452.32364	3.7
469.33069	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	469.3306
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05507	21.3
61.44989	5.8
67.05489	33.4
69.07054	19.1
70.71196	17.6
70.71532	7.2
79.05489	25.7
81.07044	61.9
83.04957	13.1
83.08601	13.6
85.06503	7.4
91.05468	31.2
93.07034	90.9
95.04975	12.8
95.08598	100.0
97.06482	12.4
98.21399	8.2
105.07023	52.2
107.08580	91.9
107.63316	5.5
109.10146	55.1
111.08099	15.5
117.06995	14.4
119.08566	80.8
121.06528	10.0
121.10125	63.9
123.08077	13.7
123.11703	20.9
129.07019	9.0
131.08574	46.0
133.10112	66.2
135.08044	19.6
135.11670	39.4
136.30988	6.2
137.09595	15.7
139.07529	10.4
139.82542	6.4
141.09047	12.1
143.08556	22.4
145.10094	57.7
147.07944	10.1
147.11671	42.3
149.13263	20.0
153.09097	7.6
155.10614	7.5
157.10135	23.6
159.08018	11.7
159.11685	47.8
161.09645	21.1
161.13248	28.0
169.10110	10.9
171.11702	21.4
173.09555	14.9
173.13249	31.5
175.11180	19.2
175.14822	17.3
177.12799	9.9
181.10127	7.8
181.12175	11.3
183.11626	9.0
185.13229	26.8
187.14799	27.7
189.12634	12.7
189.16234	8.0
195.13747	8.2
197.13310	12.7
199.14804	10.6
201.12772	12.1
201.16348	13.5
203.14317	11.8
211.14729	14.7
213.16280	14.5
215.14357	14.7
215.17949	12.6
217.15833	15.6
219.13734	11.3
221.15388	19.2
229.15909	7.8
231.17494	10.4
233.15366	10.7
235.16940	14.0
249.18513	17.3
261.18542	8.2
273.18451	9.8
277.27524	6.4
290.56458	6.8
311.23560	10.9
313.21881	7.3
315.23196	9.8
329.24585	20.6
415.06287	6.8
423.16507	7.5
423.32593	12.6
433.30905	40.2
451.32190	36.1
469.32993	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03928	5.0
53.21806	2.0
55.01845	1.9
55.05502	16.1
57.07059	5.8
67.05499	32.0
69.03431	3.2
69.07057	18.0
69.33946	3.1
69.34332	16.0
71.04957	4.0
71.08615	2.9
72.94778	1.6
75.44866	1.6
79.05481	26.3
79.88548	1.8
79.93229	1.7
81.07045	49.0
82.07363	2.2
83.04978	10.9
83.08600	8.5
85.06519	4.3
91.05463	31.1
93.07029	64.5
95.04947	8.0
95.08595	100.0
95.87645	1.7
97.06509	8.0
97.10149	3.8
98.20709	2.4
99.04457	4.7
103.73753	1.8
105.07011	55.9
107.07849	3.0
107.08576	56.2
109.06490	8.0
109.10139	41.2
111.04436	6.2
111.08061	10.8
113.05997	2.9
117.07002	14.0
117.14027	2.0
118.14067	2.0
119.08566	66.6
121.06508	8.0
121.10125	65.1
123.08062	12.9
123.11694	15.1
125.09601	2.7
128.06212	3.5
129.06985	7.5
130.07747	2.0
131.08559	31.9
133.06483	4.3
133.10112	59.9
134.10944	2.7
135.08078	10.5
135.11673	29.9
137.05971	2.4
137.09618	4.4
137.13206	4.3
139.07512	5.3
139.11148	2.0
141.09100	6.1
142.07748	4.8
143.08557	16.7
145.10098	44.8
147.08025	10.2
147.11658	38.5
147.12755	2.9
149.09648	9.0
149.13284	13.7
151.11252	2.1
153.09079	3.4
155.08566	5.8
156.09279	4.5
157.10118	26.6
159.08023	7.5
159.10408	3.3
159.11674	46.2
161.09607	18.2
161.13228	17.9
162.97884	1.9
163.11191	10.0
163.14832	5.6
165.09106	3.3
165.12683	2.4
167.08589	2.6
167.10716	3.5
168.09192	2.4
169.10063	5.8
171.11642	17.2
171.62483	2.1
172.08788	4.5
173.09622	9.1
173.13232	31.3
175.11188	15.5
175.14824	15.9
177.08994	2.7
177.12758	4.2
177.16388	4.3
179.10640	4.6
181.12183	7.2
182.10880	2.2
183.08066	2.5
183.11612	9.3
185.09616	5.3
185.13223	19.1
186.10396	4.5
187.11133	8.1
187.14775	17.7
189.12711	10.4
189.16354	12.8
191.14354	3.2
193.12186	4.5
193.15810	2.4
195.11661	4.4
195.13704	4.4
197.09546	2.0
197.13263	9.1
199.11169	4.1
199.14778	16.2
201.12637	14.1
201.16376	13.9
203.14273	10.9
203.17944	3.0
205.12233	4.3
205.15935	4.1
207.13751	3.3
209.13345	4.1
209.15343	5.8
211.14861	9.8
213.12756	8.6
213.16298	15.8
215.14351	16.3
215.17892	7.7
217.15862	8.6
219.13742	10.5
219.17493	3.0
221.15294	14.1
223.14880	3.6
223.16899	3.7
225.16388	4.6
227.14253	5.3
227.17880	5.8
229.15807	9.7
231.13792	4.3
231.17377	14.4
233.15260	14.1
233.18900	2.4
235.16841	13.3
239.17879	4.4
241.15845	3.9
241.19405	2.4
243.17390	2.5
245.15379	6.9
247.16949	10.5
249.18439	15.9
251.17958	3.6
253.15732	2.2
253.19456	3.0
255.17133	2.6
255.21120	3.1
259.16910	3.6
261.18405	3.8
265.19598	3.6
269.18845	3.9
273.18372	4.6
275.20108	3.2
287.20111	2.9
293.22601	6.9
297.22159	2.1
311.23596	8.1
319.24335	2.8
327.23285	3.1
329.24664	17.4
337.25095	4.1
355.26163	2.8
377.24277	2.3
395.29382	2.0
405.31799	4.8
415.30002	8.0
417.31503	5.6
419.29459	3.2
423.32651	11.6
433.30960	46.3
451.32068	52.6
452.32300	2.5
469.32925	23.3
469.38327	5.8
469.48761	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	469.3306
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
52.59373	2.4
55.05497	11.4
67.05496	30.7
69.07051	9.9
69.47365	10.1
69.47787	11.0
79.05468	10.0
81.07054	31.4
83.08587	7.0
91.05473	15.2
93.07024	39.4
95.04949	8.0
95.08598	66.4
97.06523	5.1
97.10162	7.1
97.32865	2.3
99.04391	2.7
105.07008	29.6
107.08585	36.2
109.06512	2.7
109.10139	45.4
111.08071	7.7
113.06007	4.8
117.07003	6.7
119.08561	33.8
121.06491	6.0
121.10130	36.7
123.08056	11.9
123.11665	12.4
125.09616	4.1
129.07106	3.0
131.08553	21.1
133.06395	3.0
133.10107	34.3
135.08092	5.6
135.11690	22.7
137.09569	20.9
137.13243	6.1
139.07509	3.4
141.09087	10.4
142.07726	2.7
143.08542	11.2
145.10104	23.7
147.08081	2.8
147.11684	21.3
149.13251	11.5
153.09081	5.5
155.10622	14.1
157.10103	17.0
159.08104	2.8
159.11621	22.3
161.09613	9.2
161.13269	17.0
163.11151	5.6
163.14816	6.3
167.10744	2.7
169.10092	7.3
170.10893	2.6
171.11652	10.2
173.13263	19.7
175.11235	4.9
175.14819	8.8
177.09198	2.8
181.12196	7.8
183.11688	7.0
185.13193	5.9
187.03629	52.2
187.11224	4.5
187.14815	12.2
189.12709	4.2
189.16504	3.7
191.14343	5.6
193.12202	3.6
195.11746	3.3
195.13797	4.6
197.13211	4.5
199.14777	6.6
201.16367	8.0
205.12141	8.0
207.13719	5.7
211.14937	3.9
213.16208	3.6
215.14355	5.1
215.18083	4.1
217.12285	2.8
217.15958	3.2
219.13754	5.7
221.15350	12.0
225.16249	3.7
227.14432	4.2
227.17973	3.9
233.15344	7.2
235.16904	7.9
241.16011	4.7
247.16937	10.1
249.18541	3.2
253.19611	4.7
255.21042	3.1
259.16959	5.7
261.18481	20.9
273.18518	15.0
275.19955	5.2
287.20071	10.5
299.20123	3.0
301.21503	6.0
313.21640	4.6
315.22919	12.9
325.21588	3.2
327.23126	4.7
329.24704	23.7
355.26141	3.8
357.27884	5.2
415.29932	6.3
423.32651	9.3
433.30966	16.1
451.31995	17.4
469.32990	100.0
470.33615	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	4.2
53.28390	2.4
55.01860	2.8
55.05494	10.7
57.03408	2.6
57.07075	4.7
59.04991	3.2
67.05162	3.3
67.05499	33.8
69.03401	3.9
69.07059	25.6
71.04974	3.0
71.27654	5.9
79.05481	25.5
79.59825	2.5
81.07048	50.2
83.04942	3.0
83.08609	12.1
91.05463	29.8
93.07030	64.0
95.04966	12.8
95.08595	100.0
97.06523	10.6
97.10158	6.4
103.14458	2.9
105.07013	64.1
107.08577	63.0
109.06519	8.3
109.10147	41.7
111.08067	10.3
113.06020	4.5
115.05438	3.9
117.07034	13.2
119.08568	77.6
121.06504	8.5
121.10125	67.5
123.08039	17.4
123.11697	24.3
125.09654	8.5
128.06216	3.2
129.07018	8.3
130.07761	3.5
131.08559	31.9
133.06468	2.8
133.10121	84.5
135.08066	7.0
135.11670	42.1
137.09573	3.7
137.13203	4.4
139.07571	5.0
141.09105	8.0
142.07802	3.7
143.08600	22.3
144.09314	4.5
145.10110	43.5
147.08002	14.9
147.11684	46.6
149.09610	6.7
149.13281	16.9
153.09146	6.0
155.08572	7.3
157.10097	24.6
158.10901	4.9
159.08029	6.4
159.11671	36.7
161.09572	22.2
161.13240	41.5
163.11189	11.4
163.14844	6.8
165.09152	2.6
169.10103	10.1
169.51337	3.3
171.11684	20.3
173.09637	7.5
173.13229	28.8
175.11218	17.5
175.14822	21.6
175.46289	2.8
177.09094	5.0
177.12698	3.3
179.10712	9.8
181.10120	5.7
181.12196	17.7
183.11665	7.3
185.09570	4.6
185.13231	13.7
187.11166	8.7
187.14795	17.8
189.12744	7.4
189.16370	12.4
191.10666	2.9
191.14313	3.5
193.12199	4.9
195.11719	4.4
195.13829	7.6
197.13283	12.0
199.14763	12.4
201.12717	5.0
201.16422	8.9
203.14316	7.0
203.17793	3.5
205.12184	5.0
207.13817	8.4
209.13310	4.4
209.15309	4.2
211.14816	2.8
213.12793	3.8
213.16386	6.7
215.14334	9.6
217.12186	3.8
217.15881	7.3
219.13875	11.8
221.15407	11.8
223.14725	3.8
225.16412	3.7
227.14404	3.2
227.17932	2.9
229.15860	7.2
229.19539	3.1
233.15341	19.5
235.16890	47.6
236.17221	3.3
239.17947	4.6
240.38385	2.9
247.16910	19.2
249.18565	7.5
255.13872	2.8
259.16806	3.4
261.18439	4.2
267.17343	4.0
271.17053	4.5
273.18533	7.2
275.20282	4.0
287.20102	7.0
289.21713	9.5
301.21677	7.3
327.23212	3.1
329.24567	3.2
341.24875	5.8
349.18179	2.9
355.26392	4.1
405.31421	5.5
415.30023	8.3
423.32413	11.9
433.31024	20.3
442.69470	2.5
451.32089	30.9
469.33133	85.5
470.33435	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.09914	7.8
55.01869	10.6
55.05492	14.7
57.03423	13.0
61.00321	7.9
67.05506	49.5
69.07049	24.2
69.07475	7.7
69.70728	47.4
79.05459	32.2
81.07050	58.0
83.05006	10.0
83.08622	13.1
91.05464	34.8
93.07034	80.9
95.04951	25.3
95.08602	100.0
97.06498	16.0
98.20758	9.8
98.98444	15.2
105.07018	95.0
107.08600	65.2
109.10146	37.4
119.08567	99.5
120.08945	11.0
121.06434	11.4
121.10143	69.5
123.08047	20.6
123.11694	26.1
129.07005	13.9
131.08539	54.8
133.10127	99.3
135.11665	41.6
143.08539	20.7
145.10100	63.3
147.08035	19.0
147.11713	45.5
149.13210	15.8
157.10097	25.6
159.11691	56.5
161.09610	14.6
161.13235	35.6
163.11128	13.9
169.10106	17.2
171.11653	36.2
173.13272	26.0
175.11128	13.9
175.14809	32.2
181.12149	10.4
183.11707	11.5
185.13246	12.4
187.14824	27.1
193.15955	12.4
199.14790	26.0
203.14200	11.1
211.03401	10.6
211.14897	10.8
213.16368	12.8
233.15268	13.2
235.16945	25.5
245.15514	9.7
247.17000	15.7
255.17392	10.2
274.20023	8.6
293.66281	9.4
408.76776	9.4
433.31070	21.1
451.31961	26.7
469.23184	13.5
469.33325	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.4
57.03445	10.5
57.07077	43.3
67.05492	12.1
69.06712	3.3
69.07061	35.1
69.23506	2.0
69.62772	10.8
69.63188	3.8
71.08633	28.3
79.05465	3.1
81.07048	17.6
83.08617	27.2
85.10167	18.2
89.06065	2.9
93.07014	6.4
95.08604	16.0
97.06536	4.7
97.10175	22.2
98.20844	4.9
107.08588	5.1
109.10168	7.2
111.08083	5.0
111.11692	5.5
121.10143	4.4
123.11682	4.0
125.09641	4.5
125.13241	3.2
135.11673	7.9
139.11201	4.4
149.13257	3.9
153.12776	5.2
163.14850	2.6
167.14404	2.8
177.16319	2.5
181.15892	3.5
184.59094	2.0
185.15416	2.3
199.16895	3.1
251.86768	2.2
377.37796	14.8
396.81046	2.2
451.41431	12.7
469.42538	100.0
470.43091	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	471.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82117	9.2
59.06124	62.8
60.04515	38.2
65.03941	20.1
67.05481	21.3
69.03413	20.4
76.07690	9.9
83.04976	59.5
83.06095	11.2
84.04504	29.2
85.02905	12.9
85.07639	46.3
91.05489	12.7
93.03439	15.1
95.04945	18.0
99.05580	12.6
101.07130	22.3
107.04951	18.9
111.04439	46.3
118.06448	11.3
119.04929	17.5
121.02869	16.8
123.04444	38.6
129.05447	21.8
131.04965	9.9
134.06009	12.6
135.04428	29.3
136.07494	16.5
139.03900	55.1
143.84340	8.9
145.02846	22.9
146.06047	22.3
147.04396	38.0
148.03937	10.8
149.02379	11.3
149.05957	12.7
150.05522	15.4
151.03877	13.2
152.07033	9.6
157.04991	16.2
160.07561	15.8
162.05539	20.5
163.03891	100.0
163.06224	12.4
164.07063	38.0
165.05550	11.0
169.76448	9.3
172.03987	9.0
172.07625	12.7
174.05505	15.9
176.07076	16.0
177.05476	15.1
179.03413	17.3
181.05072	9.8
191.03450	17.0
192.06502	20.6
194.08014	10.0
195.02881	9.3
202.04980	20.0
205.09756	13.7
215.08040	13.0
220.06097	16.4
233.09171	22.4
238.07124	10.4
239.61380	11.3
243.07697	15.9
244.06010	12.0
251.07771	8.9
261.08664	33.2
279.09732	44.0
297.10870	13.0
311.28891	9.9
325.47165	10.1
332.12094	8.9
336.54996	9.4
412.12430	13.9
425.15921	11.5
435.13858	11.1
453.14767	47.1
471.15927	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87211	1.4
53.03935	3.0
55.05505	11.5
55.16957	1.5
57.03418	3.3
57.07071	3.1
65.03954	2.3
67.05496	37.4
69.03419	2.1
69.07057	16.9
70.74376	3.9
71.04990	2.2
79.05481	24.1
81.06561	2.9
81.07043	53.9
83.04965	2.4
83.08613	8.7
85.06513	1.7
91.05465	17.5
93.07026	53.9
95.04951	7.1
95.08592	100.0
96.08907	2.2
97.06512	9.1
97.10155	3.8
99.04445	3.0
105.07016	33.6
107.07847	3.2
107.08578	63.6
109.06508	4.5
109.10141	46.8
109.10891	2.2
111.04450	1.5
111.08037	8.7
113.06008	5.2
115.07577	1.8
117.07011	4.8
119.08566	46.4
121.06472	5.1
121.10123	61.4
123.08033	12.7
123.11689	26.4
125.09629	4.4
129.06970	3.1
129.09116	1.9
131.08549	11.9
133.06476	2.8
133.10109	39.1
135.08038	8.0
135.11673	32.2
137.09602	5.3
137.13223	4.2
139.07521	5.3
141.09076	5.3
143.08559	5.1
145.10107	18.4
147.08025	5.9
147.11662	32.4
147.54980	1.7
149.09627	7.0
149.13231	12.5
153.09088	7.4
155.10594	2.2
156.09213	2.2
157.10132	6.4
159.07970	2.1
159.11664	21.9
161.09608	10.5
161.13232	45.1
163.11150	7.4
163.14822	5.6
165.09052	2.7
165.12727	1.8
167.10663	6.7
169.09996	2.0
171.11670	5.8
173.09561	3.6
173.13239	17.8
175.11153	10.7
175.14781	15.3
177.12743	1.8
177.16447	4.2
179.10669	6.3
181.10616	2.3
181.12181	16.7
183.11745	1.8
185.13220	4.7
187.11197	1.9
187.14771	10.2
189.12683	3.9
189.16368	11.9
191.14252	3.8
193.12189	4.7
195.13802	5.2
197.13206	2.0
199.14804	6.9
201.12895	2.3
201.16409	8.7
203.14288	6.1
203.17990	4.9
205.15845	5.2
207.13832	3.0
209.15335	6.2
213.16460	2.6
215.14391	5.0
215.17934	5.4
217.15863	11.1
219.17368	3.2
221.15303	11.5
223.16939	5.6
225.16328	1.9
229.15921	4.1
231.17471	4.4
233.15369	4.7
235.16878	27.9
237.18449	7.6
247.16931	14.2
249.18460	10.8
261.18436	4.8
273.18811	1.7
275.19897	3.8
315.23752	1.7
329.24704	3.9
331.25836	1.8
343.26196	2.8
355.26526	2.1
379.30338	1.6
407.32935	5.0
417.31470	6.1
425.33984	6.9
435.32452	16.7
453.33710	9.9
471.34906	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	471.3462
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03924	3.3
55.05495	13.7
57.07066	3.8
67.05489	28.9
69.07057	12.5
73.68655	3.9
79.05487	23.7
81.07045	41.4
83.04965	3.2
83.08613	10.4
91.05465	16.9
93.07024	51.7
95.04986	4.2
95.08599	100.0
97.06509	6.8
98.20763	7.4
105.07021	37.1
107.08582	66.1
109.06531	4.2
109.10148	38.7
111.08098	8.0
113.06017	4.0
119.08568	43.1
121.10139	62.9
123.08032	12.5
123.11649	21.3
131.08549	12.4
133.10114	44.2
135.08044	12.9
135.11671	29.8
137.13248	5.1
139.07503	4.7
143.08531	4.5
145.10185	16.2
147.11649	31.7
149.09624	8.3
149.13263	12.7
151.11154	4.4
153.09102	4.0
157.10135	8.5
159.11726	19.3
161.09586	7.3
161.13231	33.9
163.11140	7.5
167.10712	6.9
171.11766	4.1
173.13251	12.3
175.11189	6.2
175.14799	11.1
177.12685	3.6
179.10696	3.9
181.12155	5.8
182.10988	4.2
185.13136	3.8
187.14839	12.9
189.16420	8.6
195.13771	4.1
197.13336	3.9
201.16426	4.7
203.14211	4.4
215.14514	4.7
217.15814	5.3
229.15813	4.6
235.16896	15.0
247.17035	4.9
249.18414	6.6
273.34671	3.3
435.32709	7.7
453.33905	3.9
471.34494	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	471.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96307	1.5
55.05496	12.0
57.03428	2.0
57.07059	3.7
65.03922	3.5
67.05163	2.6
67.05494	36.0
69.07058	15.9
71.04984	2.3
71.93294	1.3
79.05484	23.4
81.07047	51.4
83.04952	1.9
83.08608	10.2
85.06510	2.4
86.82819	1.3
91.05462	18.2
93.07030	52.1
95.04967	7.2
95.08592	100.0
97.06514	8.1
97.10152	4.5
98.20702	3.4
99.04424	2.7
105.07014	37.0
107.07842	3.3
107.08578	59.6
109.06491	4.0
109.10139	42.3
111.04416	2.0
111.08025	6.9
113.05982	5.0
113.09565	1.6
117.07011	6.1
119.08563	48.5
121.06474	5.6
121.10125	64.2
123.08054	10.2
123.11684	22.4
125.05972	2.0
125.09605	3.6
129.06975	3.1
131.08554	15.4
133.06439	3.6
133.10121	34.9
134.10522	1.5
135.08057	7.6
135.11671	29.2
137.09579	4.3
137.13251	4.0
139.07509	3.4
139.11154	2.4
141.09048	3.9
142.07771	1.9
143.08530	5.0
145.10094	16.9
147.08014	5.0
147.11664	30.0
149.09573	5.8
149.13220	10.3
151.11111	1.6
153.09058	6.9
155.08542	1.9
157.10081	6.2
158.10904	1.8
159.08105	2.1
159.11671	18.1
161.09615	10.6
161.13234	35.6
163.11205	7.6
163.14807	4.3
165.09079	2.9
167.10663	7.5
168.59825	1.5
169.10162	4.0
171.11700	6.9
173.09497	2.4
173.13243	15.7
175.11159	11.4
175.14792	14.1
177.12679	2.3
177.16335	5.3
179.10707	3.8
181.12213	15.1
183.11655	2.7
185.13210	6.1
187.11102	2.5
187.14832	9.9
189.12694	2.4
189.16339	10.5
191.14262	2.5
193.12186	2.6
195.13768	5.9
197.13232	3.3
199.14757	5.9
201.12703	2.8
201.16360	6.6
203.14304	4.3
203.17989	2.9
205.15756	3.6
207.13594	1.8
207.17519	1.7
209.15305	6.3
211.14619	2.2
213.16307	2.7
215.14302	4.4
215.17848	3.5
217.15845	10.1
219.13843	2.2
219.17563	1.7
221.15375	5.3
223.16908	4.0
225.16202	1.4
227.17984	1.7
229.15858	4.7
231.17424	4.6
233.15295	5.0
235.16919	25.4
237.18396	5.0
243.17284	3.7
247.16905	15.3
249.18414	9.7
261.18472	6.4
274.11026	1.5
329.24539	2.1
343.26263	2.4
397.30991	3.6
407.33057	3.3
417.31305	4.1
425.33804	8.3
435.32556	19.0
453.33765	8.8
470.57703	1.5
471.34747	16.8
472.35211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03928	2.7
55.01866	1.5
55.05503	11.5
57.03419	2.3
57.07055	3.8
59.90533	1.2
65.03941	3.6
67.05495	38.1
69.07059	17.4
69.44370	3.4
69.44793	8.4
71.08612	1.4
73.50300	1.7
77.03921	1.6
79.05483	21.6
81.07047	55.4
83.04974	2.1
83.08613	10.1
85.06533	3.1
91.05465	17.7
93.07030	58.5
95.04955	7.1
95.08595	100.0
96.08920	1.6
97.06516	11.1
97.10161	4.7
99.01376	1.3
99.04431	3.5
100.40337	1.3
105.07014	41.9
107.08578	66.9
109.06522	3.8
109.10144	42.6
111.08059	7.4
113.06007	4.6
117.07004	5.5
119.08559	58.5
121.06526	5.2
121.10127	66.7
122.10460	1.6
123.08043	10.6
123.11689	23.9
125.09608	4.7
127.07524	2.1
129.06998	3.8
131.08539	14.4
133.06485	2.8
133.10109	40.3
134.10738	1.6
135.08064	9.3
135.11681	34.7
137.09618	5.5
137.13248	3.5
139.07547	3.2
141.09096	4.3
142.07761	1.8
143.08530	7.0
144.09367	2.7
145.10092	20.4
146.10696	1.7
146.88983	1.4
147.08034	4.6
147.11661	34.7
147.12773	2.6
149.09569	8.3
149.13219	12.2
151.11116	1.5
153.09084	7.7
155.08517	1.8
157.10156	8.6
159.08058	3.5
159.11673	20.5
161.09595	12.9
161.13228	38.3
162.13687	1.8
163.11159	12.2
163.14838	6.8
165.09171	2.7
167.10669	8.2
169.10103	2.5
171.11600	6.6
173.09579	2.4
173.13237	17.1
175.11136	12.6
175.14790	16.8
177.12744	2.6
177.16357	3.5
179.10672	4.7
181.12196	14.7
183.11691	2.4
185.13281	4.0
187.11211	1.8
187.14813	13.7
189.12741	5.5
189.16359	9.3
191.18027	1.7
193.12177	3.5
195.11905	1.6
195.13805	5.6
197.13354	3.2
199.14857	5.7
201.12729	4.0
201.16411	10.1
203.14299	5.8
203.17964	2.2
205.15842	2.5
207.13785	2.3
209.15378	6.1
213.16353	2.2
215.14288	4.7
215.17793	2.4
217.15816	8.8
217.19562	1.8
219.13802	3.0
219.17509	3.3
221.15321	9.3
223.14851	1.6
223.16911	5.6
225.16307	1.8
229.15895	8.9
231.17432	5.2
233.15288	5.6
235.16879	21.6
237.18449	7.1
243.17426	3.4
247.16891	17.4
249.18567	8.9
261.18542	5.3
263.20142	1.6
275.20163	2.4
297.22089	1.5
301.21591	1.8
311.23343	2.1
339.26874	1.6
343.26401	1.8
357.28003	1.7
379.30170	1.9
389.31836	2.8
397.31036	2.8
407.32983	5.5
417.31525	7.1
425.33981	6.9
435.32657	16.9
453.33591	11.2
471.34616	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	471.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03933	3.6
55.05502	35.1
57.03431	2.0
57.07069	7.3
59.04979	2.2
65.03928	1.2
67.05495	40.0
69.03414	2.3
69.06713	2.0
69.07059	26.7
71.04980	3.1
71.08602	2.3
71.53863	1.3
71.54242	1.9
73.06533	1.3
75.42204	1.0
79.05048	2.0
79.05481	23.9
81.07045	53.3
83.04967	2.5
83.08604	19.5
85.06519	4.5
91.05469	21.7
93.07026	48.8
95.04970	7.8
95.08593	100.0
96.08903	1.5
97.06526	11.2
97.10151	19.3
99.04455	5.3
101.06020	4.0
105.07014	36.1
107.08576	71.3
109.06499	5.4
109.10137	53.3
110.10461	1.3
111.04411	1.9
111.08065	8.2
111.11657	1.3
111.31578	1.1
113.05988	4.0
115.05418	1.6
115.07513	1.8
117.07001	7.2
119.06028	1.1
119.08561	46.4
121.06477	3.1
121.10120	58.4
123.08067	13.4
123.11686	27.9
125.09618	5.8
127.07578	1.6
129.06984	2.8
130.07829	1.1
131.08556	15.8
133.10109	42.0
134.10844	1.0
135.08034	6.9
135.11668	31.9
137.09590	2.7
137.13243	8.6
139.07527	2.7
139.11133	2.5
141.09126	6.4
143.08490	6.0
143.10657	3.4
145.10092	21.9
147.08023	3.3
147.11661	33.5
149.09561	7.6
149.13260	9.7
151.07481	1.2
153.09093	4.5
155.08536	3.0
156.09340	1.6
157.10078	9.9
158.10867	1.4
159.08076	1.4
159.11674	20.3
160.08881	1.2
161.09590	7.8
161.13223	30.2
163.11185	7.0
163.14778	4.5
165.09129	1.8
167.10680	9.6
169.10144	4.3
169.78830	1.2
170.78429	1.2
171.11678	7.4
171.50587	1.0
173.09651	3.0
173.13245	17.1
175.11183	7.9
175.14806	11.6
177.09160	1.8
177.12749	3.3
177.16377	4.5
179.10602	4.3
181.12215	10.0
183.11664	3.1
185.13210	5.0
187.11156	4.0
187.14774	11.2
189.12706	3.9
189.16331	8.8
191.10637	2.1
191.14328	1.3
191.17940	1.6
193.12257	3.5
195.11917	1.5
195.13805	7.0
197.13261	4.7
199.11388	1.2
199.14809	3.8
201.12721	3.5
201.16293	5.7
203.14302	3.6
203.17891	3.1
205.12227	3.3
205.15842	2.0
207.13824	3.4
209.13263	1.4
209.15343	1.4
211.14699	2.9
213.12704	2.0
213.16362	3.6
215.14291	4.6
215.18024	2.2
217.15884	5.2
217.19540	1.3
219.13889	1.5
219.17456	3.1
221.15335	7.3
223.14970	1.6
223.16806	6.6
225.16245	1.2
227.14336	1.5
227.17941	2.5
229.15863	4.2
231.17368	2.6
232.14523	1.2
233.15306	6.1
235.16910	16.8
237.16324	1.7
237.18428	5.4
243.17117	1.6
245.15291	1.3
247.16927	12.1
249.18425	11.6
253.19438	1.7
257.19019	2.4
261.18561	2.3
263.20078	1.9
269.19031	1.2
275.20065	5.2
283.20627	1.9
283.24405	1.4
287.19971	1.4
289.21539	3.9
291.23227	1.9
301.21729	2.4
311.23700	3.1
317.24463	1.4
329.21069	1.3
329.24725	5.0
337.25183	1.3
343.26276	2.5
355.26398	2.0
357.23941	1.3
357.27841	1.8
375.25327	1.6
387.25293	5.1
401.26532	1.7
407.32980	4.4
411.32434	4.5
411.40305	1.4
417.31525	3.7
425.34064	4.3
435.32468	15.3
453.33554	9.6
463.23764	1.5
471.34647	31.0
472.34750	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	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.16930	2.5
53.03947	2.7
55.05519	12.9
57.07068	5.0
67.05502	35.0
69.06727	2.7
69.07063	17.7
70.73982	6.6
71.05004	2.1
79.05486	25.8
81.07053	51.1
83.04999	2.7
83.08603	9.7
85.06521	3.0
91.05461	18.1
93.07040	54.3
95.04962	8.9
95.08603	100.0
95.09222	4.9
97.06529	6.2
97.10173	2.9
105.07025	39.5
107.08586	67.7
109.06508	6.6
109.09430	3.6
109.10147	42.7
111.08067	9.2
113.05991	7.3
117.07023	5.9
119.08571	48.2
121.06504	5.1
121.10134	66.6
123.08046	11.0
123.11697	29.2
125.09622	4.8
129.09088	3.9
131.08566	12.3
133.10120	40.4
135.08092	10.0
135.11682	29.5
137.09575	3.8
137.13309	3.7
139.07506	5.1
141.09058	5.0
143.08522	5.9
145.10095	22.1
147.08058	4.9
147.11653	32.6
149.09602	9.9
149.13245	15.3
153.09081	4.6
153.12704	2.9
157.10138	9.3
159.08023	3.3
159.11684	23.5
161.09622	8.5
161.13231	39.0
163.11176	9.1
163.14801	6.3
167.10689	12.2
169.10094	3.6
171.11687	6.0
173.13263	17.1
175.11171	8.9
175.14830	16.5
177.16261	2.8
179.10689	5.2
181.12221	10.8
183.11693	3.7
185.13261	4.2
187.11194	3.6
187.14816	12.1
189.12698	5.8
189.16396	13.0
191.14288	3.1
193.12286	4.8
195.13777	5.4
197.13248	3.0
199.14928	4.7
201.12735	4.9
201.16389	10.3
203.14284	5.3
205.15903	3.8
207.13791	3.6
209.15344	3.2
211.14969	2.1
213.16412	4.8
215.14311	3.5
215.17966	2.8
217.15857	8.4
219.13866	2.8
221.15390	10.0
223.17010	7.1
229.15836	4.3
231.17398	5.9
233.15335	7.7
235.16881	26.0
237.18477	7.8
247.16919	16.7
249.18484	12.2
261.18491	7.0
275.20233	3.2
329.24838	2.8
343.26291	2.6
348.17712	2.1
397.30823	2.6
407.32965	4.6
417.31412	6.7
425.34006	8.9
435.32782	16.1
435.38580	3.3
453.33383	11.0
471.34714	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	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.0
56.96542	8.3
58.19063	5.5
63.08224	6.0
67.05497	50.2
69.07043	26.0
71.53831	11.3
79.05470	31.3
81.07042	81.0
83.08607	10.8
91.05470	28.9
93.07030	74.6
95.04969	8.3
95.08591	100.0
97.06503	10.5
105.07014	57.7
107.08581	78.3
109.10141	58.3
111.08073	12.5
117.06977	11.3
119.07926	6.1
119.08576	73.3
121.10141	72.5
123.08082	12.6
123.11662	27.6
125.09504	7.2
131.08546	18.2
133.05415	5.9
133.10120	58.3
135.08035	12.8
135.11662	31.6
143.08524	13.5
145.10107	28.5
147.07999	12.2
147.11642	38.9
149.09633	12.2
149.13255	18.3
154.94131	23.5
157.10107	14.8
159.11696	25.2
161.09581	15.1
161.13254	50.9
163.11148	15.7
163.14793	11.6
167.10672	7.3
171.11700	13.2
172.95192	49.6
173.13191	18.4
175.11188	8.0
175.14819	20.6
177.16389	10.0
178.00720	6.0
179.10707	9.2
181.12157	9.5
185.13298	11.9
187.14806	16.0
189.16360	19.4
190.96304	27.9
199.14709	7.1
201.12524	6.6
201.16335	18.0
217.15845	18.6
221.15283	9.6
223.16956	9.8
228.97780	18.8
229.15851	7.9
231.17485	9.2
233.15218	7.3
235.16882	24.2
247.16786	13.9
249.18517	10.6
317.17834	18.4
335.18881	14.7
407.33118	17.0
417.31503	8.5
425.34052	12.8
435.32645	32.6
453.16898	14.3
453.33563	18.3
471.18216	45.1
471.34549	12.7
494.19568	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	472.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24708	0.4
61.62160	0.3
65.03917	0.8
67.05484	0.5
68.81792	0.3
69.03394	0.4
69.07048	0.6
69.35323	0.8
69.35722	2.6
70.06590	2.3
79.05482	0.4
81.03406	0.8
81.07036	1.1
82.07386	0.3
91.05470	9.5
93.07034	0.6
95.04926	0.4
95.08581	0.7
97.06512	0.4
105.07045	0.6
109.10139	0.6
110.10425	0.4
119.04930	23.7
119.08546	0.5
121.10149	0.4
133.10078	0.4
147.04390	100.0
148.04697	1.6
157.09743	0.4
165.05475	0.8
177.09328	0.3
200.25519	0.3
291.08557	0.8
309.09531	0.7
397.05850	0.3
421.92850	0.4
472.22256	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	472.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05500	3.9
57.03430	11.1
57.90347	0.7
59.04998	1.3
61.02919	2.1
61.92302	0.6
68.52985	0.9
69.03419	4.7
70.68922	1.6
70.69259	0.9
71.04985	63.0
73.02908	2.6
74.66933	0.6
75.04486	3.8
81.03400	1.7
83.04978	12.7
83.08615	6.5
85.02897	100.0
87.04477	1.6
91.03911	0.8
93.17410	0.7
97.02883	6.3
98.21420	0.9
99.04440	2.0
101.05956	0.8
101.09639	4.6
103.03904	1.0
109.02879	1.9
111.04440	7.6
117.94827	0.8
122.76431	0.8
127.03901	7.8
129.05469	36.2
145.04938	9.3
147.06503	20.1
147.10158	2.9
163.05989	3.6
164.09247	1.4
165.07533	1.0
255.08607	1.7
257.65372	0.7
273.09631	1.3
309.11884	1.7
309.15317	0.9
314.11404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.0
57.07056	6.6
57.98202	3.0
64.72913	3.0
67.05470	3.1
69.03413	18.7
69.07060	63.2
70.06579	8.4
71.04969	3.2
71.57388	3.9
76.17847	3.3
79.05475	5.5
79.49078	3.0
81.07056	4.6
82.11727	3.3
82.55563	3.6
83.08607	25.2
85.02904	21.0
87.04458	10.3
91.05450	5.1
97.02881	16.7
107.04942	4.1
114.09142	4.0
115.03914	19.6
117.07018	3.5
125.13245	4.1
133.04977	16.6
137.05984	8.6
143.14259	12.7
147.04398	10.6
151.03931	5.3
151.07495	3.9
161.15347	100.0
163.03870	6.2
193.69656	3.1
204.10025	4.1
278.11368	7.1
371.48978	3.4
472.21899	3.9
473.14523	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	473.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	4.1
59.06107	0.9
60.04513	1.8
70.06548	1.3
79.05508	1.4
83.04942	1.1
89.03908	5.1
98.97562	2.8
101.07125	2.3
105.07018	1.2
107.04950	1.7
115.05424	2.4
116.98605	1.6
117.03354	3.7
117.05725	1.7
121.02779	1.3
132.08034	3.6
135.04373	8.3
139.03918	1.8
143.00162	2.5
145.02838	3.5
147.04422	1.5
148.99066	1.3
152.32166	1.0
160.07562	100.0
161.01184	2.4
163.03888	46.3
164.04207	3.7
169.01624	1.5
176.07053	1.6
177.00656	2.7
177.10202	15.2
206.08081	1.5
213.00714	1.4
219.01819	1.8
249.02690	2.0
273.02765	2.0
374.07611	2.0
411.05609	1.8
429.06982	1.9
473.17368	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	473.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.1
55.01850	4.4
55.05260	1.6
55.05503	20.9
57.03410	4.5
62.46174	1.2
65.03921	3.1
67.05497	51.5
69.03409	2.1
69.07056	10.5
70.97826	1.7
70.98143	1.5
71.04959	2.3
73.06537	1.8
77.03883	1.7
79.05482	71.0
81.03407	100.0
81.07040	42.0
83.04972	12.6
83.08615	20.9
85.06530	2.4
91.05468	65.4
93.07030	47.9
93.07628	2.5
95.04956	40.5
95.08590	20.9
97.02876	3.7
97.06506	3.8
97.10141	4.4
103.05436	2.2
105.04530	1.9
105.07017	46.1
107.04945	9.6
107.08587	14.7
109.06513	7.8
109.10135	5.2
111.04418	2.8
111.08074	9.6
115.05431	2.6
117.06976	10.7
119.07785	2.2
119.08572	28.0
121.05722	1.1
121.06483	6.1
121.10119	6.1
123.08058	4.5
125.06963	1.1
125.09584	1.3
127.07566	1.3
128.06177	4.1
129.06993	29.0
131.08551	13.7
133.06451	4.5
133.10126	9.7
135.08028	1.9
135.11728	1.7
141.06943	2.4
142.07790	3.4
143.08493	7.3
145.06464	3.4
145.10091	7.2
147.08035	4.3
147.11661	33.2
149.09598	4.7
157.10107	8.5
159.08055	4.0
161.09563	3.6
161.13277	8.2
163.11154	1.4
169.10132	2.6
171.08070	1.6
171.11664	20.2
175.11134	9.2
180.77225	1.1
189.11237	1.4
189.12724	7.5
193.12218	26.4
207.13768	24.2
225.14836	1.8
229.15930	1.5
230.63423	1.2
249.14845	3.9
269.97910	1.2
363.23395	1.7
363.72296	1.2
381.24039	4.5
396.14645	1.4
399.25159	3.5
448.87769	1.3
455.27957	3.1
473.28940	72.9
474.29257	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	473.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.4
53.03940	9.0
55.01858	5.3
55.05503	23.8
56.50227	1.4
57.03423	3.4
65.03925	4.4
67.05495	51.4
69.03409	3.9
69.07055	12.2
70.49432	4.1
71.04964	2.1
73.06546	1.3
77.03943	1.2
79.05482	66.8
81.03407	100.0
81.06570	2.2
81.07047	44.5
83.04960	14.2
83.08608	23.1
85.06522	3.3
91.05468	66.8
93.07034	51.8
95.04353	2.2
95.04955	41.1
95.05553	2.6
95.08589	22.2
97.02896	3.2
97.06516	4.3
97.10180	7.0
103.05476	2.0
105.04533	1.5
105.07016	44.9
107.04923	11.8
107.08591	16.0
109.06507	8.6
109.10139	6.1
111.08058	7.3
115.05445	3.0
117.07002	11.8
119.04898	2.3
119.08566	32.1
121.06511	4.6
121.10134	7.3
123.08070	5.4
123.11628	1.6
125.09633	3.3
128.06201	4.5
129.06990	25.3
129.07915	2.5
131.08553	11.8
133.06493	4.2
133.10118	11.6
135.11664	2.6
137.09636	2.1
142.07780	3.6
143.08559	9.2
145.06488	3.6
145.10114	10.4
147.08043	4.9
147.11671	29.7
147.12770	2.3
147.38034	1.2
149.09628	5.1
155.08578	1.5
157.06458	1.3
157.10107	9.9
159.11778	1.8
161.09610	4.9
161.13225	10.2
163.11119	1.6
165.09070	2.0
165.12730	2.1
169.10222	1.7
171.08070	2.1
171.11679	23.0
173.09541	1.3
175.11153	7.8
177.09042	1.5
189.12665	8.5
193.12218	26.2
193.13838	1.9
207.13774	22.9
219.13840	1.4
225.14883	1.7
229.15840	1.8
231.13872	1.9
249.14899	5.4
281.17459	2.2
363.23160	2.4
381.24347	4.4
395.87033	1.4
399.25369	2.8
455.28162	1.8
473.29037	76.5
474.29169	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	475.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
64.69345	0.6
65.03935	3.5
67.05495	0.9
68.99782	0.7
69.03415	1.0
69.07014	0.8
69.10114	0.6
70.55532	2.2
81.07061	0.7
83.04939	1.4
84.04475	0.7
85.02892	1.3
86.09688	1.0
91.05502	1.0
93.03390	2.2
93.07039	0.7
95.04958	1.2
107.08493	0.7
111.04402	1.3
113.62497	0.5
113.80437	0.5
115.05461	3.4
115.06118	0.7
116.98632	0.7
119.08533	0.7
121.02839	5.6
129.07011	0.8
131.04903	1.9
141.06967	5.6
143.04887	2.9
147.04388	0.9
147.11638	0.7
152.06210	0.7
153.06949	4.0
155.08574	0.6
157.06485	2.6
159.04405	3.7
163.03902	1.3
165.07031	3.3
166.08702	0.6
167.04898	1.3
169.06448	5.9
171.04405	0.9
171.08060	1.1
181.06502	4.1
183.07874	0.8
185.05942	6.5
187.03911	4.8
191.14259	1.1
192.14558	0.8
193.06473	1.5
199.03885	100.0
200.04271	1.7
201.04259	1.0
209.05952	2.7
213.05435	13.7
215.03366	15.0
217.04999	1.2
219.10138	0.6
227.06990	1.7
237.02948	1.1
237.05447	3.1
239.06995	0.9
241.04886	2.1
245.68390	0.6
255.06544	4.3
265.04935	0.7
283.05963	18.6
283.08994	1.3
295.15582	0.7
301.07043	13.1
302.29919	0.6
342.20505	0.6
438.04016	0.6
475.17593	1.4
475.57364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85206	0.7
53.03931	1.5
55.01858	1.0
55.05493	1.7
63.11588	0.9
65.03925	1.7
67.05489	3.1
69.03410	3.4
69.07053	2.0
69.08870	0.8
70.06462	3.0
71.04960	2.0
77.13014	0.8
79.05485	3.1
80.79715	0.8
81.03394	3.8
81.07050	7.3
83.04987	1.3
83.08584	0.9
85.02892	2.8
85.06538	1.4
91.05470	12.6
93.07021	3.3
93.72195	0.9
95.04940	3.0
95.08586	5.5
95.28101	0.8
97.06452	0.9
98.21468	1.2
99.04459	0.8
105.07014	3.2
107.04929	2.2
107.08584	2.5
109.02859	2.0
109.10156	4.2
111.04412	1.0
119.04932	20.4
119.08575	3.5
121.10130	2.6
123.04453	0.8
123.08059	3.5
123.11709	1.3
125.06078	0.8
129.06979	1.5
131.08577	1.4
133.10158	1.1
135.08026	1.5
135.11678	2.1
137.05966	4.4
137.09589	2.0
139.11258	0.9
145.10095	1.4
147.04390	100.0
147.11682	1.5
148.04713	1.7
149.09624	2.5
151.07535	14.8
152.35365	0.8
157.10083	1.0
157.56062	0.8
159.11784	1.3
161.06064	1.2
163.07452	1.5
165.05472	4.0
165.09106	11.9
167.07037	1.7
175.07550	2.6
177.09079	4.1
189.08852	0.9
191.10675	4.7
203.07330	0.8
203.10640	1.9
205.12207	3.1
291.08545	3.9
309.09604	3.3
313.07056	6.5
383.22012	1.0
386.94785	0.9
475.26816	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	475.1594
Annotation	Scrophuloside A
Peak:m/z	Relative Intensity
53.03933	0.7
55.01856	0.6
55.05506	2.2
57.07041	0.6
61.63420	0.4
65.03925	2.4
67.05492	5.4
69.03400	1.7
69.07043	1.6
69.47730	0.5
71.04994	0.5
71.53446	0.8
79.05473	2.7
81.03411	2.0
81.07045	6.0
83.04974	1.0
83.08595	1.1
83.92263	0.4
85.02868	1.6
85.06516	1.7
91.05470	17.5
93.07034	4.1
95.04960	2.2
95.08591	10.1
97.02880	0.4
97.06504	0.6
97.10124	0.6
99.04420	0.7
99.08047	0.5
103.05437	0.7
105.07019	2.6
107.04911	2.8
107.08587	1.8
109.02869	0.8
109.06494	0.8
109.10136	4.5
111.04438	1.6
111.08039	1.0
113.06007	1.9
113.09644	0.6
115.05443	0.7
117.07008	1.6
119.04922	26.6
119.08563	3.0
121.06477	1.3
121.10126	1.9
123.08051	4.4
123.11674	1.6
125.09616	0.9
127.03933	0.6
129.07014	0.9
129.09108	0.9
131.08543	1.5
133.06436	0.8
133.10097	1.8
135.08023	1.9
135.11615	0.7
137.05945	1.5
137.09544	2.5
139.07520	0.7
141.09056	2.3
143.08534	0.6
145.06476	0.5
145.10115	1.3
147.04388	100.0
147.08022	1.2
147.11671	1.4
148.04762	1.2
149.05994	0.6
149.09622	1.6
151.07526	24.0
153.05441	0.6
155.10664	0.7
159.08000	0.9
159.11700	0.6
161.06050	0.7
161.09630	0.8
163.07538	0.6
163.11147	1.5
165.05460	2.8
165.09103	8.9
167.07085	2.0
169.08649	0.5
171.08043	0.5
171.11607	0.7
173.09564	0.8
175.07523	4.3
175.11197	0.9
176.08301	0.6
177.09059	4.5
187.09637	2.3
187.11133	0.6
189.09077	1.2
189.12714	1.0
191.10646	12.5
193.12132	0.4
199.11217	0.8
201.09171	0.7
201.11058	0.9
201.12718	0.6
203.10654	1.9
205.12187	3.9
209.11615	0.5
215.10519	0.5
235.07507	1.6
259.16849	0.7
273.22226	0.4
277.08597	1.1
285.18539	0.6
291.08701	0.9
303.19550	1.5
309.09723	1.1
346.11618	0.4
350.41296	0.4
361.73978	0.4
365.21185	0.7
383.22122	1.2
393.27805	0.6
401.11411	0.5
401.23010	0.6
411.28903	1.5
429.30032	1.4
431.24762	0.5
439.28555	0.7
448.38824	0.5
457.25494	1.2
475.26080	2.8
479.60040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70809	0.6
53.03936	1.1
55.01858	1.3
55.05496	1.9
57.03428	0.9
59.04982	0.5
65.03934	1.2
67.05493	3.8
69.03411	1.7
69.07046	1.3
69.54568	0.5
70.63254	2.0
76.75166	0.5
79.05480	4.3
81.03395	0.8
81.07045	5.9
83.04948	1.0
85.06509	0.6
91.05463	17.7
93.07034	4.3
95.04941	2.7
95.08596	5.6
97.02876	1.0
97.06502	1.0
99.08076	2.2
103.05454	2.9
104.06216	1.4
105.07017	5.5
107.04936	3.5
107.08566	2.8
109.06505	1.4
109.10117	3.3
111.04306	0.5
115.05421	6.6
116.06215	0.7
117.07012	7.3
119.04929	4.9
119.08569	11.2
120.05709	1.9
121.06490	7.8
121.10102	1.8
122.03658	0.7
123.04398	0.7
123.08047	2.4
123.11663	1.5
125.09576	0.9
128.06215	4.5
129.06979	7.1
131.04892	1.3
131.08531	2.2
132.05690	8.5
133.06441	2.4
133.10123	1.1
135.04430	1.0
135.08032	2.4
135.11679	1.2
136.42160	0.6
137.05956	17.3
137.09599	3.3
141.06966	6.5
143.08516	0.8
145.06473	4.6
145.10081	1.7
147.04390	12.9
147.08025	16.3
147.11713	1.0
149.05983	2.8
149.09590	2.5
151.07524	25.3
151.11124	0.8
153.09142	0.7
155.06009	1.0
157.06451	0.9
157.10107	1.1
158.07207	0.8
159.08038	1.3
159.11581	1.0
160.05159	6.9
161.05960	3.2
161.09631	1.0
162.06764	1.4
163.07523	13.8
163.11189	1.2
165.06961	1.1
165.09097	17.5
167.07022	1.6
167.08493	0.9
169.06470	7.0
170.07179	0.9
171.08060	0.9
173.09583	1.1
174.06758	1.5
175.07524	100.0
176.07823	1.5
177.09085	28.6
178.09328	0.7
179.10680	1.4
187.07510	2.9
189.09079	8.1
191.08736	1.0
191.10652	3.9
193.06497	0.6
195.08022	1.6
201.09096	8.7
203.10620	1.5
205.12242	2.0
207.10068	0.7
209.11659	0.8
219.08058	1.3
221.05927	0.8
223.07475	1.1
227.10748	1.4
237.09222	1.3
251.10796	0.8
253.08496	1.0
255.10173	2.6
265.08557	3.4
267.10052	1.0
269.11676	0.7
279.10049	4.1
285.11179	3.1
287.12723	10.1
291.13535	0.6
296.10333	0.9
297.11230	2.9
309.10730	1.0
311.12738	6.6
313.14310	6.7
351.15930	2.3
355.22391	0.6
365.21188	0.9
383.22134	1.6
401.22818	0.7
443.18561	1.7
457.25464	1.2
475.21008	5.8
475.27078	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	475.2685
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
53.03929	4.6
54.16138	1.6
55.01865	8.2
55.05253	2.3
55.05503	31.3
57.03423	5.2
65.03929	2.7
67.05493	37.4
69.03413	3.2
69.07054	9.9
70.66985	4.7
71.04977	2.8
79.05482	29.1
81.03413	11.7
81.07043	31.2
83.04967	5.2
83.08609	12.4
85.02911	1.8
85.06551	2.5
91.05468	23.2
93.07022	20.4
93.88712	1.3
95.01308	1.5
95.04951	16.6
95.08587	15.8
97.06552	2.4
97.10159	21.5
99.08046	1.6
102.54943	1.3
103.05459	3.0
105.07014	16.9
107.04922	12.1
107.08574	14.4
109.02898	8.5
109.06499	3.4
109.10129	10.4
111.04432	2.2
111.08089	2.5
113.42801	1.3
115.05444	5.4
117.07003	14.7
119.04922	3.5
119.08582	14.1
121.02829	1.6
121.06486	10.6
121.10127	5.6
123.04355	2.6
123.08064	6.0
125.02339	4.4
125.09585	11.1
128.06219	2.6
129.07007	10.6
131.04915	6.2
131.08572	9.5
133.06453	11.1
133.10101	5.4
135.04407	3.0
135.08038	5.4
135.11685	4.8
137.05925	2.7
141.06979	4.3
143.08543	8.5
145.06468	14.1
145.10118	12.5
147.04424	8.8
147.08049	8.7
147.11633	2.3
149.05974	3.0
149.09586	5.0
153.09035	2.6
154.07692	1.4
155.08524	4.1
157.06458	6.4
157.10150	5.2
159.04375	2.1
159.08044	6.0
159.11674	3.3
160.05209	3.7
161.05949	29.1
161.09610	4.7
163.07564	2.2
163.11191	6.7
167.07060	3.4
167.08492	2.9
169.06445	3.5
169.10103	4.2
171.08043	7.1
171.11694	1.6
173.06012	7.6
173.09599	8.0
173.11729	3.9
175.07545	4.8
175.11197	3.0
181.10152	4.1
183.08043	3.5
183.11665	4.3
185.05904	1.8
185.09596	5.8
185.13219	2.1
187.07533	4.2
187.11186	3.1
189.09065	5.6
189.11133	4.3
189.12732	1.6
191.10622	3.4
192.09161	1.5
193.10367	1.9
193.12189	3.0
195.11696	3.9
197.09616	3.7
197.13289	2.3
199.07544	2.0
199.11121	3.8
201.12723	3.3
203.10641	1.8
203.14339	3.1
205.12115	2.2
211.11186	6.2
213.09006	1.7
213.12711	3.3
225.12640	4.3
227.12714	2.4
229.12288	1.9
231.13760	7.0
235.11115	2.5
237.11108	2.6
239.10564	2.3
243.13844	5.9
253.12201	3.5
257.11664	2.0
257.15372	1.9
269.15302	5.2
271.13348	7.7
273.14728	10.9
285.14899	3.4
287.16348	5.0
289.14325	21.7
299.16571	2.2
299.88321	1.5
303.15851	3.9
337.21567	5.2
347.20206	2.3
355.22711	11.6
357.20795	1.5
365.21045	18.8
374.65738	1.7
383.22110	88.0
384.22543	3.6
401.23120	36.0
403.22672	3.0
419.24261	4.0
421.23669	4.1
429.26440	2.7
431.24142	5.7
439.24661	12.8
457.25778	65.8
458.26053	2.9
475.26816	100.0
476.27158	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	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03940	9.7
55.01862	4.8
55.05261	2.0
55.05506	24.6
57.03430	5.5
57.07060	2.9
57.63774	1.0
58.55679	0.9
65.03943	5.3
65.11513	1.0
65.72715	1.0
67.05498	98.7
68.05841	1.2
69.03408	1.8
69.07059	26.7
69.19930	4.2
69.20348	7.9
71.04987	5.6
71.08620	1.4
73.06543	1.8
77.03896	1.7
79.05484	100.0
81.03416	14.0
81.07047	99.5
82.07349	1.5
83.04979	15.6
83.08607	17.9
85.06532	4.4
91.05469	71.0
92.05778	1.2
93.07034	95.1
94.07379	1.6
95.04359	1.7
95.04957	28.4
95.08596	37.6
97.02874	2.5
97.06528	13.3
97.10162	4.4
98.20765	1.9
99.08091	3.8
100.06991	1.0
101.06023	1.1
103.05468	2.1
105.04521	3.2
105.07018	41.3
106.07355	1.2
107.04958	8.0
107.08583	37.6
109.05825	1.5
109.06481	7.8
109.10141	6.7
109.75263	1.1
111.08075	7.2
113.06045	1.5
113.09629	1.7
115.05448	1.3
117.07008	15.0
119.08571	25.0
121.06448	4.9
121.10121	17.5
123.08057	7.0
123.11707	2.6
125.09632	1.3
127.07544	2.2
128.06212	2.3
129.06995	18.0
130.07765	1.1
131.08562	11.1
132.19051	1.1
133.06540	1.3
133.10123	15.1
135.08052	2.6
135.11670	8.3
139.07527	1.0
139.11163	1.8
143.08525	8.7
145.10100	7.4
147.08049	3.0
147.11678	33.0
149.13248	28.1
157.10135	1.3
159.11673	12.8
161.09584	5.1
161.13240	10.1
171.11665	28.6
177.12791	4.3
179.14230	2.5
189.12730	11.9
195.13783	8.1
207.13780	31.4
213.14806	2.1
225.14845	5.6
227.12651	1.4
246.65930	1.1
269.17673	1.8
310.66568	1.1
367.69574	1.0
437.98770	1.1
475.30609	73.0
476.30908	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03937	8.3
55.01851	4.3
55.05251	1.5
55.05502	25.6
57.03424	7.7
57.07055	3.1
59.60006	1.0
65.03915	5.2
67.05495	89.0
69.03413	1.3
69.06713	1.8
69.07058	25.8
69.32696	11.8
71.04972	5.3
73.06541	1.6
77.03912	1.5
79.05482	86.5
79.15819	1.4
80.05796	1.5
81.03413	11.0
81.07046	100.0
82.07328	1.7
83.04974	17.1
83.08192	1.4
83.08611	15.3
84.15264	1.1
85.06532	4.8
91.05465	63.8
93.07031	91.3
94.07346	1.3
95.04959	26.8
95.08043	2.3
95.08598	36.7
97.02864	1.4
97.06519	12.5
97.10148	4.5
99.08064	2.6
105.04471	2.5
105.07018	41.7
107.04961	11.3
107.08582	40.3
109.06528	8.2
109.10142	7.5
111.08070	5.7
111.28644	1.1
115.05398	2.5
117.07008	13.6
119.08561	21.1
119.61621	1.1
121.06481	3.9
121.10120	20.2
123.08049	6.3
123.11660	2.9
127.07492	1.7
128.06194	3.2
129.06976	14.8
131.08545	9.4
133.06465	1.8
133.10103	13.7
135.07996	2.8
135.11690	5.8
141.06950	2.2
141.09058	1.3
143.08522	8.4
145.06403	1.4
145.10091	7.8
147.08008	2.7
147.11647	30.4
149.12146	2.0
149.13246	23.4
151.11143	2.1
157.10057	1.6
159.11676	11.8
161.09552	4.1
161.13235	14.5
163.11177	1.6
171.11664	24.9
177.12738	5.7
179.14238	2.7
189.12730	11.0
195.13728	7.5
197.84537	1.2
207.13759	31.9
225.14825	4.5
225.29152	1.3
269.17465	1.7
278.62219	1.2
281.17371	1.6
430.48334	1.3
451.31610	1.3
457.29227	3.2
467.70340	1.3
475.30432	70.0
476.30887	4.4
488.67114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.1
51.02362	2.5
53.03940	9.7
55.01852	4.9
55.05252	1.8
55.05501	27.2
57.03433	6.7
57.07050	3.9
65.03936	5.5
67.05495	92.0
68.94302	1.0
69.03419	1.4
69.06716	1.6
69.07059	25.7
71.04987	5.0
73.06541	1.5
73.72430	1.1
77.03899	1.8
79.05482	100.0
80.30323	1.0
81.03407	11.4
81.07045	89.7
83.04975	16.6
83.08601	17.2
85.06518	4.9
85.45226	1.0
91.05469	66.0
93.07033	86.8
95.04955	25.5
95.08598	36.3
97.06514	9.9
97.10146	3.3
98.20738	3.1
99.08080	3.5
103.05450	1.2
105.04499	2.3
105.07013	40.7
106.07403	1.7
107.04940	8.5
107.08579	39.0
109.06516	7.7
109.10134	6.2
111.08062	6.9
113.06001	1.4
115.05396	1.6
117.06999	15.7
119.07771	1.5
119.08566	22.7
121.06484	4.5
121.10119	17.7
123.08028	4.7
123.11672	3.1
125.09602	1.8
127.07516	1.4
128.06204	3.0
129.06982	17.4
131.08559	9.6
133.10121	12.6
135.08026	2.7
135.11674	8.2
137.09619	1.4
141.07062	1.2
142.48991	1.2
143.08543	8.1
145.10101	8.5
147.08017	3.1
147.11673	31.2
149.13237	20.5
159.11684	9.8
161.09563	4.8
161.13231	10.3
163.11060	1.6
167.14362	1.1
171.11664	26.2
177.12723	5.0
179.14297	1.8
185.13162	1.2
189.12741	10.7
195.13739	8.5
207.13783	27.5
216.36526	1.0
225.14813	3.7
281.17566	1.2
333.54886	1.1
385.60083	1.0
475.30469	70.0
476.30789	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
53.03942	10.6
53.35340	1.0
55.01850	5.3
55.05503	27.5
57.03434	5.2
57.07061	2.6
62.81008	1.2
65.03633	1.0
65.03923	5.6
67.05498	94.7
68.05828	1.3
69.03423	2.6
69.07063	24.9
71.01347	1.4
71.04993	6.0
71.53304	1.5
73.06538	2.7
77.03924	1.5
79.05485	100.0
80.05838	1.3
80.43104	1.0
81.03413	16.2
81.07048	96.7
82.07365	1.6
83.04975	18.8
83.08604	19.6
85.06541	6.0
88.19073	1.1
91.05470	74.1
92.05769	1.2
93.07034	94.2
94.07366	1.2
95.04961	28.6
95.08601	40.0
97.02928	1.3
97.06523	13.0
97.10169	4.5
99.08092	3.2
105.04523	3.1
105.07018	43.6
106.07281	1.2
107.04932	8.7
107.07860	2.4
107.08584	40.8
109.06527	7.0
109.10155	8.5
111.04427	1.8
111.08093	7.3
115.05472	3.6
117.07012	16.6
119.08570	24.3
119.09353	2.1
120.76923	1.1
121.06492	5.8
121.10123	21.2
123.08046	5.9
123.11704	2.4
125.09618	2.0
127.07610	2.0
128.06213	2.4
129.07004	15.6
130.07784	1.2
131.08571	13.3
133.06520	3.3
133.10109	15.1
135.08099	3.9
135.11650	7.6
143.08531	8.9
145.06480	1.9
145.10109	9.4
147.08060	2.6
147.11667	37.8
148.11993	1.0
149.09654	1.5
149.13249	28.6
155.08563	1.6
157.10165	1.6
159.11674	9.5
161.09596	4.0
161.13235	14.2
163.11168	2.2
171.11667	28.3
173.09662	1.2
177.12743	6.1
186.75562	1.3
187.11348	1.3
189.12714	11.9
193.12259	1.4
195.13811	8.7
207.13782	33.0
213.14899	3.3
225.14871	5.9
227.12811	1.5
269.17410	1.4
281.17453	1.4
289.14459	1.1
303.55875	1.2
365.20981	1.3
383.22049	2.5
475.30695	74.4
476.30893	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35511	0.9
51.02373	2.0
53.03943	7.1
53.96373	1.0
55.01859	5.4
55.05503	29.4
57.03432	5.9
57.07074	3.1
57.20168	1.0
65.03939	4.7
67.05497	96.1
69.03423	3.6
69.07060	24.8
69.57233	7.5
71.04980	6.1
71.08618	1.1
73.06534	1.3
77.03905	1.4
79.05483	100.0
80.05851	1.2
81.03403	15.0
81.07046	98.7
82.07403	1.3
83.04973	19.4
83.08611	18.1
85.06532	5.3
91.05470	69.8
93.07033	92.8
95.04959	28.2
95.05547	1.5
95.08595	37.3
97.06520	12.5
97.10161	3.7
98.20800	2.1
99.08105	2.2
103.05482	2.6
105.04520	2.2
105.07019	43.9
107.04955	7.9
107.08580	39.1
109.06511	8.2
109.10127	8.5
111.08065	5.6
113.09673	1.1
113.96706	0.9
115.05479	1.1
117.07001	14.4
119.08566	25.0
121.06519	3.4
121.10120	17.1
121.10899	1.3
123.08045	5.0
123.11725	2.5
125.09636	2.1
127.07603	1.6
128.06238	2.9
129.06990	15.4
129.07881	1.1
131.08551	11.2
133.10110	16.9
135.08070	2.5
135.11688	9.4
137.09563	1.2
141.06984	1.6
141.09117	1.2
143.08577	7.8
145.06567	1.2
145.10132	8.2
147.08168	2.1
147.10507	1.4
147.11668	29.1
147.12761	1.8
149.13231	22.1
150.50871	1.2
151.11162	1.1
153.12711	1.2
155.08574	1.3
159.11682	11.3
161.09619	4.9
161.13214	13.6
163.11206	1.6
163.26041	1.1
171.11652	26.2
175.11263	1.2
177.12796	4.6
179.14355	1.2
181.12317	1.0
189.09047	1.2
189.12715	10.4
189.14238	1.2
193.12291	1.3
195.13724	7.6
207.13788	28.5
207.15695	1.7
207.76097	1.4
225.14868	4.1
267.15921	1.2
269.17407	1.9
281.17395	1.2
285.89548	1.2
300.63303	1.0
304.26285	1.6
335.25797	5.3
441.05588	1.0
457.29150	1.5
475.30695	70.8
476.31018	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03929	1.0
55.01854	0.8
55.05501	4.9
57.03414	1.0
57.07051	0.8
59.04978	0.5
59.18179	0.3
65.03923	1.0
67.05499	13.7
69.03412	2.5
69.07058	2.3
69.72801	1.4
69.73207	0.7
69.82276	0.4
70.94669	0.4
71.04998	2.4
75.07585	0.4
79.05484	4.1
81.03393	1.2
81.07050	9.1
83.01299	0.4
83.04964	2.0
83.08600	1.7
85.02901	0.8
85.06534	6.2
87.04461	0.8
91.05470	5.3
93.07030	7.5
95.04950	2.6
95.08597	38.3
96.08887	0.9
97.06509	1.1
97.10152	1.3
99.04452	3.3
101.05996	0.9
105.07031	4.9
107.04928	1.5
107.08572	4.6
108.05757	0.5
109.02856	0.6
109.06503	1.2
109.10139	9.1
111.04422	1.3
111.08054	1.2
113.05997	5.3
113.09623	2.0
115.37032	0.4
117.06926	0.9
119.04932	5.2
119.08564	3.8
121.06522	1.8
121.10151	3.2
123.08054	15.8
123.11694	2.7
125.09611	1.1
127.08244	0.4
127.11153	0.5
129.05466	0.5
129.06963	0.8
129.09073	1.1
131.04948	0.5
131.07013	0.5
131.08557	1.8
133.06493	0.8
133.10115	2.3
135.08009	3.2
135.11661	1.9
137.05942	2.0
137.09587	4.1
138.06219	0.4
139.07529	1.2
139.11179	0.7
141.06950	0.4
141.08023	0.7
141.09084	11.6
143.08569	0.7
145.06541	0.4
145.10110	2.5
147.04391	19.6
147.08081	1.3
147.11674	1.7
148.04782	0.9
149.05978	0.8
149.09608	1.7
149.13234	1.5
151.07524	100.0
152.07866	2.3
153.05446	0.5
155.10638	1.4
157.06473	0.4
157.08566	1.3
157.10078	0.9
159.08018	1.1
159.11671	1.3
161.05989	0.6
161.09613	1.4
161.13234	0.8
163.07541	0.9
163.11165	1.9
163.14839	0.8
165.05351	0.8
165.09096	9.9
165.12772	0.4
166.09401	0.8
167.07051	2.2
169.08594	3.5
169.09929	0.6
171.11725	0.4
173.09631	1.9
173.11815	0.7
173.13269	0.7
174.06731	0.4
175.07571	3.2
175.11174	2.3
175.14719	0.6
176.08293	1.4
177.09097	8.3
177.12636	0.5
177.16214	0.4
179.10609	0.5
180.66579	0.4
181.08502	0.5
183.10153	0.6
185.09714	0.4
187.09637	10.9
187.11172	1.6
189.09079	3.1
189.12730	1.0
189.16324	0.7
190.09811	0.6
191.10651	20.5
192.10962	0.5
193.08598	3.0
193.12207	0.5
199.11153	0.9
201.09160	0.9
201.11171	0.9
201.12796	0.7
203.10635	2.4
203.17958	0.6
205.10393	0.7
205.12230	8.4
209.11589	0.5
213.12755	0.6
215.10751	1.8
217.12227	0.5
219.10294	0.5
219.13805	0.6
225.12616	0.6
227.12711	0.5
229.12251	1.5
231.13777	1.3
245.15434	0.5
259.16904	0.8
267.17261	0.5
273.18408	0.4
273.21701	0.4
285.18469	1.1
293.20972	1.7
303.19479	2.4
307.22894	1.2
313.13565	0.5
325.23645	0.9
337.23831	1.9
383.22174	1.2
393.27863	1.0
401.23352	0.4
407.18814	0.4
411.28900	1.5
429.30045	2.6
439.28519	0.7
457.29401	1.7
475.20480	0.8
475.25861	1.1
475.30637	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74912	0.6
53.03926	0.8
55.05494	4.8
57.03418	1.1
59.04974	0.8
65.03925	0.9
67.05492	14.7
69.01806	0.5
69.03416	3.5
69.07052	3.2
69.44609	5.9
71.04967	2.1
76.19915	0.7
79.05474	4.4
81.03400	0.9
81.07047	13.7
83.04961	1.6
83.08609	2.2
85.06530	4.0
91.05464	4.4
93.06535	0.9
93.07037	9.1
95.04943	2.9
95.08594	33.8
97.06499	0.6
97.10130	0.7
99.04420	1.8
99.08085	0.7
101.05997	1.1
105.07026	5.8
107.04980	1.5
107.07962	0.7
107.08556	4.1
108.05696	0.8
109.06478	2.0
109.10143	21.4
111.04427	2.4
111.08066	1.6
113.05978	2.9
115.07491	0.6
115.92551	0.6
117.06982	1.2
119.08578	3.9
121.06500	1.6
121.10139	4.5
123.08047	13.8
123.11690	4.7
125.06012	0.7
125.09605	1.2
129.06993	0.9
129.09052	1.4
131.08603	3.1
133.06454	1.1
133.10106	3.0
135.08040	5.3
135.11702	1.5
137.05939	1.6
137.09581	7.5
139.07524	3.6
139.11084	0.8
141.09088	5.3
145.06465	0.8
145.10078	2.4
147.04366	1.3
147.08026	1.7
147.11638	2.6
149.09612	2.2
149.13210	1.6
151.07520	100.0
151.11096	1.6
152.07829	1.8
153.94252	0.6
155.10661	3.7
157.08612	1.1
157.10083	1.5
159.08017	1.8
159.11659	2.4
161.05963	0.7
161.09610	2.7
162.06743	1.1
163.07526	1.2
163.11168	3.6
165.09085	17.7
166.09416	0.9
167.07054	2.1
169.08542	1.8
172.08899	1.0
173.09618	3.0
173.11755	1.5
175.07541	4.7
175.11174	2.6
175.14828	0.7
176.08339	3.1
177.09074	13.6
179.10663	0.8
183.10107	2.4
183.11627	0.7
185.09810	0.8
187.08102	0.8
187.09598	5.1
187.11182	3.5
187.13240	1.7
189.09081	5.5
189.12810	1.7
190.09778	1.9
191.10638	39.3
192.11005	0.9
193.08553	1.7
199.11148	2.5
201.09448	0.8
201.11082	3.0
203.10635	3.8
203.17889	1.6
205.12216	20.2
207.10040	1.0
209.11687	1.4
213.12686	1.3
215.10645	4.9
215.12508	0.9
215.14354	1.1
217.12234	0.7
221.18980	0.9
229.12209	2.0
231.13762	8.4
231.17194	0.8
243.17325	0.8
257.18982	0.8
259.16959	1.0
271.19028	0.7
273.18613	0.9
279.22952	0.7
285.18533	1.2
303.19519	2.9
325.23718	2.2
337.23825	1.3
378.49091	0.8
383.22244	2.2
393.27838	1.7
411.28925	4.2
429.29993	5.9
430.30112	0.8
439.28531	1.2
457.29941	3.8
475.30441	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	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.2
55.01858	1.4
57.03220	1.1
57.03432	11.3
59.04977	2.2
60.04494	1.4
61.02909	1.6
65.03929	1.1
69.03070	2.3
69.03421	36.1
69.65190	8.9
70.06583	1.5
73.02895	4.3
75.04469	2.2
81.03394	2.6
85.02412	2.1
85.02897	33.1
86.09691	2.0
87.04458	27.4
88.02108	1.3
91.05466	5.4
95.04942	1.3
97.02882	33.7
98.21426	2.1
99.04427	1.4
103.03911	1.4
109.02847	1.1
115.03919	45.0
118.24441	1.3
119.04919	12.9
123.04422	1.4
127.03886	3.8
132.78252	1.3
133.04947	45.1
135.04410	1.6
137.06024	1.2
139.03825	2.4
145.04953	6.0
147.04390	100.0
148.04709	2.3
150.07578	11.4
163.03914	2.5
165.05457	54.8
166.05836	1.5
169.04869	1.6
171.04472	1.5
180.08691	2.3
189.05351	5.9
199.03917	3.0
200.04221	3.0
207.06502	6.4
219.02840	1.7
235.34341	1.3
237.04008	2.5
241.06970	1.5
243.06519	2.2
261.03970	1.6
261.07458	1.7
279.08600	2.1
292.81964	1.3
295.09949	1.6
321.05606	1.3
328.08722	1.3
356.70349	1.3
391.24957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	4.4
57.03427	10.8
58.06584	3.8
61.02913	3.5
65.03918	2.9
65.34670	2.7
69.03425	32.2
70.06583	3.5
71.56369	5.0
73.02909	10.3
79.05508	2.7
83.05002	3.0
85.02887	38.5
86.09687	3.3
87.04440	22.0
89.03913	3.0
91.05470	8.2
93.03417	5.0
96.23088	3.0
97.02873	32.9
98.33784	2.9
115.03931	38.5
119.04932	18.7
120.11704	3.3
127.03884	10.2
132.57248	3.4
133.04961	39.6
133.06477	3.8
135.04410	3.7
137.05943	3.7
139.03920	5.9
145.04948	8.6
147.04407	100.0
148.04695	3.5
150.07614	5.6
163.03839	8.2
165.05478	71.3
166.46394	3.2
189.05464	4.4
199.03821	4.8
200.04195	5.6
207.02916	4.7
207.06497	5.1
219.02887	12.3
233.04523	3.9
237.03920	9.7
261.03967	9.8
301.47858	3.0
302.07632	3.0
303.05045	5.2
314.15759	4.3
328.09363	4.2
476.16730	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	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90680	3.2
55.01868	4.4
55.05496	4.8
57.03437	24.3
59.04995	5.3
67.05495	9.5
69.03429	89.3
69.07030	4.2
70.06566	4.6
71.57361	5.6
73.02895	5.5
75.04459	3.4
79.05491	6.9
81.03403	3.9
81.07045	12.4
83.04955	5.3
83.08620	3.5
85.02407	4.4
85.02901	79.7
85.06560	3.1
86.09661	2.9
87.04457	56.3
89.15658	2.9
91.04913	3.0
91.05483	8.7
93.07043	6.6
94.07398	4.2
95.04955	3.9
95.08604	12.4
97.02891	72.4
98.05988	3.0
99.04442	3.6
100.07627	3.0
100.11233	3.7
105.07027	12.5
107.04939	4.5
107.08614	5.4
109.02862	6.9
109.10147	4.8
111.04449	3.7
115.03133	5.7
115.03925	99.4
119.08575	7.1
121.06440	3.3
123.08060	6.2
123.11710	4.7
124.05216	11.5
127.03900	9.3
129.07024	4.1
133.04964	100.0
133.06015	5.2
133.06461	6.9
133.10120	3.7
135.08061	4.6
137.05960	26.1
137.09596	5.1
140.63277	2.7
144.06564	4.8
145.04935	8.6
145.10014	3.3
150.07616	14.0
151.07549	43.3
152.07878	14.4
154.08629	4.1
161.09584	2.9
161.13315	3.1
163.07462	3.5
163.11264	3.9
165.09100	46.4
166.09468	3.4
167.06921	3.3
175.07329	3.7
177.09076	8.9
177.51810	3.2
178.09390	2.9
180.08769	3.0
187.86382	3.0
189.09036	5.4
191.10616	16.8
192.10982	10.5
199.07529	6.8
201.09151	5.2
205.12268	8.1
206.12617	5.8
207.47995	2.5
211.07603	3.0
249.03416	3.2
251.32698	3.3
252.10501	3.0
287.05554	8.1
476.21890	3.5
476.32788	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01871	1.5
55.05509	10.7
57.03421	5.5
62.05781	2.5
62.06084	35.1
65.03903	1.5
67.05501	33.6
69.07053	9.8
70.78681	3.2
79.05484	20.0
81.03426	2.6
81.07047	25.6
83.04954	1.7
83.08615	4.2
87.73615	1.1
91.05470	12.8
93.07036	24.5
95.04973	2.8
95.08596	19.7
97.10143	1.1
98.06006	2.2
98.98457	10.4
100.40385	1.3
105.07021	8.7
107.04930	1.3
107.08575	10.7
109.10146	6.9
111.08055	1.7
117.06992	2.8
119.08582	7.8
121.10129	9.6
123.08088	1.2
123.11694	3.6
124.01578	2.4
129.03667	1.2
131.08585	3.0
133.10124	4.8
133.16078	1.2
135.11693	4.8
137.13278	1.6
142.02643	2.6
145.10098	2.7
147.11673	3.5
149.13237	2.5
155.01036	4.2
159.11716	1.7
161.13283	2.1
163.14854	1.7
166.37381	1.2
173.02087	2.0
173.13249	1.3
198.05247	2.6
199.87238	1.3
216.06383	3.8
232.14642	1.9
261.22128	6.6
270.43439	1.1
278.58774	1.1
304.26312	25.2
335.25763	100.0
336.26056	2.7
346.10114	1.4
365.86926	1.3
372.88342	1.3
415.22528	1.3
458.26642	4.9
476.27328	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69477	0.4
53.03933	1.7
55.01863	0.7
55.05256	0.5
55.05509	8.3
57.03434	6.0
57.07066	0.7
62.73236	0.4
65.03928	0.9
67.05499	29.8
69.03410	0.6
69.07062	7.6
69.58527	0.9
69.58927	2.7
71.04990	0.6
75.03527	0.4
79.05486	15.5
81.03400	0.5
81.07049	26.4
83.04967	0.9
83.08607	1.9
85.06544	0.5
91.05471	8.0
93.07038	17.4
94.07347	0.6
95.04951	1.7
95.08598	18.9
96.09000	0.5
97.06519	1.4
97.10165	0.9
98.98480	0.4
103.76836	0.4
105.07020	5.2
107.08588	6.0
108.08915	0.6
109.06482	0.8
109.10137	7.3
115.93457	0.4
117.07001	1.3
119.08563	3.0
120.12415	0.4
121.10133	5.3
123.08072	0.6
123.11699	1.7
131.08537	1.9
133.10165	2.2
135.11671	2.6
145.10150	1.3
147.11694	1.2
149.13246	1.4
159.11719	0.4
161.13214	0.7
161.19653	0.4
165.12758	0.4
173.13313	0.9
175.14757	0.6
198.05251	0.7
200.73213	0.4
216.06332	0.7
261.22183	1.1
304.26340	1.6
335.25766	100.0
336.26035	3.3
476.30969	1.0
493.05328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77559	1.6
53.03928	6.7
55.01867	12.4
55.04502	1.8
55.05254	2.3
55.05504	35.3
56.86332	1.6
57.03416	6.9
59.04972	2.0
65.03923	3.8
67.05492	67.5
69.03406	5.1
69.07058	18.8
69.50067	4.6
69.50470	13.7
71.01342	2.0
71.04961	7.5
79.05479	55.3
81.03399	17.1
81.07042	78.7
83.01315	3.8
83.04977	24.0
83.08596	21.1
85.02875	2.3
85.06533	4.3
91.05461	50.1
93.07027	73.7
95.04955	21.1
95.08590	63.6
97.02912	2.8
97.06516	13.4
97.10140	9.6
99.04442	4.5
99.08038	2.3
101.03580	2.2
103.05452	1.9
105.04525	2.7
105.07005	36.2
107.04926	11.5
107.08582	47.5
109.06493	11.3
109.10121	16.0
111.04402	12.0
111.08050	12.9
113.05965	2.2
115.05434	3.8
116.06145	2.1
117.07010	23.6
119.08554	28.8
121.06470	10.7
121.10139	20.1
123.08055	13.1
123.11665	8.6
125.05980	2.6
125.09589	8.6
128.06189	8.6
129.06972	13.3
130.07770	3.3
131.08560	24.8
133.06468	3.5
133.10109	24.5
135.08017	7.7
135.11685	20.1
137.05963	3.0
137.09586	3.7
139.07559	3.0
139.11310	2.7
141.06987	7.4
142.07733	7.8
143.08542	18.8
144.09238	2.4
145.06454	8.6
145.10100	29.9
146.10764	1.9
147.08015	8.7
147.11659	7.7
149.09587	4.7
149.13232	14.8
151.07454	2.0
153.06952	6.1
153.09018	3.1
153.12708	5.0
154.07701	7.6
155.08531	24.5
156.09319	7.0
157.06491	4.6
157.10068	16.9
159.08041	6.9
159.11690	21.3
161.05956	3.1
161.09615	8.1
161.13239	4.7
163.11137	23.2
165.06963	6.9
166.07677	5.3
167.07176	2.3
167.08531	7.5
168.09291	4.5
169.06459	3.0
169.10091	23.4
170.10822	4.0
171.08015	6.0
171.11621	11.9
172.08791	3.1
173.09560	8.1
173.13222	6.0
175.07497	2.2
175.11192	4.5
177.12657	3.0
179.08478	7.6
180.09291	6.0
181.06473	2.0
181.10088	15.1
181.12260	4.2
182.10957	4.7
183.08058	17.3
183.11694	14.5
185.09593	8.7
185.13156	5.6
187.11134	5.1
187.14804	3.9
189.11139	4.6
189.12724	2.5
189.16402	2.0
191.10635	3.6
192.09241	5.5
193.10091	10.2
193.12016	3.0
194.10864	2.4
195.08035	4.9
195.11658	14.2
195.13747	6.9
197.09607	13.6
197.13260	6.9
199.07465	7.6
199.11195	16.5
201.09048	5.7
201.12737	5.7
202.07780	2.3
203.08563	4.0
203.14218	2.7
204.09290	2.9
205.10071	5.4
206.10857	6.2
207.11661	11.8
208.12430	3.9
209.09590	9.2
209.11636	6.9
209.13269	5.0
211.11179	4.3
213.09059	5.6
213.12672	4.6
215.10582	4.9
215.14262	6.7
217.10097	3.5
217.12170	2.2
217.15823	2.7
218.10803	5.5
219.11620	10.7
219.13672	3.8
220.12418	3.1
221.09602	5.1
221.13216	8.2
222.13914	2.2
223.11153	5.2
223.14806	2.4
225.09009	6.8
225.12640	2.5
227.10599	8.5
227.12747	15.4
230.10867	4.4
231.11610	6.2
231.13759	3.2
232.12459	3.1
233.13181	6.8
233.15332	5.3
234.13927	2.7
235.11177	3.4
235.14742	6.1
237.12627	3.2
239.10732	4.9
239.14297	4.0
241.12202	2.7
243.10052	7.0
244.12500	4.2
245.13300	4.3
245.15372	2.8
246.13904	2.4
247.11235	3.1
247.14731	8.1
248.15289	2.0
249.12750	2.5
251.10609	3.1
251.14392	2.3
257.11423	2.5
258.13925	3.8
259.10974	2.8
259.14713	6.0
261.12579	3.3
261.16333	6.2
263.10730	5.9
263.18057	2.5
265.11929	2.4
270.14166	3.2
271.14777	2.1
273.16257	6.7
275.14429	2.7
275.17932	5.2
277.12433	2.5
277.15598	3.1
291.17413	4.9
295.13440	2.5
301.15884	5.7
303.21033	2.8
319.16861	8.5
324.67084	2.5
337.17938	6.8
345.18176	3.6
367.22696	9.0
385.23837	12.0
395.23334	3.6
399.23187	2.4
403.25632	3.3
413.24573	17.2
415.26202	2.9
423.22845	3.3
431.25748	11.7
433.27237	4.6
441.24118	20.1
459.25208	52.3
460.25632	2.2
477.26987	100.0
478.27142	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70904	2.5
53.03934	8.2
55.01868	14.6
55.05248	4.0
55.05505	52.9
57.03429	9.3
57.07069	2.9
59.04987	8.2
65.03922	4.4
67.05152	4.7
67.05497	85.8
69.03423	5.8
69.05711	2.1
69.07066	25.9
69.58654	14.7
69.59072	5.2
69.59737	2.2
69.78126	2.5
71.04993	10.9
79.05487	72.9
80.05803	2.6
81.03412	24.8
81.07052	99.1
82.07361	3.0
83.01316	4.8
83.04967	25.4
83.08600	27.6
85.02897	6.0
85.06533	5.0
91.05471	51.0
93.07039	83.7
94.07372	3.8
95.04967	22.1
95.08605	38.2
97.02913	5.1
97.06544	16.4
97.10162	17.0
99.08089	3.1
103.05492	3.5
105.04590	2.5
105.07016	35.2
107.04931	20.5
107.08588	50.5
109.06516	12.2
109.10155	13.5
111.04442	6.8
111.08075	12.1
115.05453	2.9
117.07011	19.3
119.06058	2.9
119.08559	19.4
121.06493	13.4
121.10119	26.7
123.08086	12.5
125.06002	4.2
125.09646	10.3
128.06274	2.9
129.06998	9.6
131.08571	22.6
133.06519	4.5
133.10120	18.1
135.08054	7.8
135.11693	26.3
137.09642	2.5
139.07520	3.9
141.07043	3.4
143.08563	7.0
145.06476	8.7
145.10126	21.2
147.08063	5.0
147.11697	6.6
149.09657	7.3
149.13258	27.7
153.09122	2.9
153.12791	7.4
155.08588	6.2
157.10136	7.0
159.08015	5.1
159.11684	14.1
161.09648	3.1
163.11159	34.3
167.07063	10.4
167.08434	3.0
169.10146	3.1
171.11742	4.7
173.09662	7.4
175.11209	3.3
177.12750	9.0
179.08566	2.8
181.10252	2.8
181.12218	6.4
183.11736	2.8
189.11247	7.3
189.12752	2.5
191.10541	5.2
193.12292	6.0
195.11980	2.3
195.13766	13.3
197.09547	2.9
197.13350	4.1
199.11246	4.6
205.10327	3.2
209.11598	12.1
211.79694	2.3
213.12727	2.9
215.10640	4.6
215.14325	5.2
223.11168	3.1
227.12579	11.6
231.11592	2.6
231.38248	2.9
233.15489	8.6
237.04115	2.4
237.09099	2.9
243.94011	2.4
251.10509	3.3
253.08763	2.5
265.12189	5.2
267.10226	2.4
273.15021	6.7
277.12393	8.0
279.13519	2.5
291.16315	2.6
295.13196	3.9
339.23190	3.9
349.21350	6.0
357.24564	4.5
367.22824	13.5
385.23737	25.2
403.24957	5.9
441.25937	4.4
459.25629	36.9
469.76721	2.7
477.19348	4.4
477.28217	100.0
478.28494	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	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	19.2
55.05502	59.3
57.03423	9.9
63.70464	3.8
65.03931	4.7
67.05495	65.7
69.03421	10.6
69.07056	14.0
71.04977	4.4
75.43413	3.9
79.05485	69.2
81.03413	37.4
81.06625	5.0
81.07050	56.7
83.04965	8.7
83.08617	33.4
85.02885	4.4
91.05466	60.6
93.07036	47.6
95.04956	28.9
95.08600	31.2
97.06506	7.9
97.10159	46.5
103.05431	4.7
105.07012	28.9
107.04958	36.9
107.08580	37.6
109.02856	3.9
109.06490	14.8
109.10138	17.9
111.08047	11.0
115.05417	6.3
117.06998	26.2
119.08536	19.4
121.06484	40.5
121.10120	12.6
123.04471	4.4
123.08063	11.9
125.09610	33.9
128.06221	5.7
129.06984	15.6
129.76166	3.6
131.04938	5.2
131.08548	20.4
133.06456	11.1
133.10114	18.7
135.08058	17.2
135.11662	3.6
137.05936	5.8
141.06915	6.9
143.08537	10.2
145.06430	24.0
145.10115	15.4
147.04361	5.0
147.08028	14.9
147.11664	12.3
149.09607	9.0
151.07509	9.8
153.09100	7.3
155.08505	6.3
157.06453	5.4
157.10117	16.5
159.08006	8.9
159.11690	4.4
161.05969	5.6
161.09665	4.4
163.11168	8.1
167.07051	3.7
167.08578	5.0
169.10104	8.5
171.07990	7.2
171.11629	9.4
173.09535	6.1
175.11157	9.9
183.08093	3.8
183.11694	4.4
185.09621	4.1
189.11215	21.6
189.12714	6.9
193.12178	26.9
197.09579	5.5
197.13168	6.3
199.11211	5.8
205.12309	6.4
211.13266	6.0
213.12816	6.7
215.14354	5.2
227.12700	21.3
231.13742	5.6
233.15306	25.5
249.14813	4.7
259.13248	4.6
267.15881	22.9
273.14938	9.7
339.23004	9.9
341.21033	5.6
349.21469	16.2
357.24051	17.0
367.22604	41.7
368.22879	4.7
375.25085	4.0
385.23697	84.6
403.24881	33.4
430.60077	3.9
433.25677	14.0
441.26309	10.7
459.21091	6.2
459.27301	100.0
460.27451	8.8
477.28391	58.0
478.29102	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	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	21.7
55.05506	69.8
57.03423	21.2
57.20155	4.6
67.05495	84.3
69.03407	6.4
69.07062	23.9
70.79720	7.5
70.80061	10.2
71.04975	5.9
79.05486	73.4
80.94241	5.4
81.03413	72.1
81.07050	81.4
83.04989	15.2
83.08607	40.7
85.02879	8.0
91.05463	65.2
93.07040	55.6
95.04961	40.3
95.08599	37.3
96.86980	4.9
97.02841	5.8
97.06528	11.6
97.10149	55.1
99.07991	5.1
103.05484	5.5
105.07029	48.9
107.04942	47.7
107.08573	41.2
109.06507	12.3
109.10137	17.8
111.04449	7.3
111.08045	15.3
117.07030	25.4
119.08582	30.0
120.11424	5.0
121.06493	34.4
121.10133	18.1
123.08077	13.6
123.11645	8.4
125.09602	47.9
129.06993	30.5
131.08554	33.9
133.06473	15.1
133.10101	22.2
133.30869	5.0
135.08025	12.6
135.11699	10.5
137.09625	6.8
140.02388	5.6
141.06960	8.3
143.08560	16.2
145.06454	19.4
145.10114	17.8
147.08018	15.1
147.11670	17.3
153.09070	11.8
153.12646	6.6
155.08511	10.3
157.06415	5.7
157.10086	20.9
159.08141	5.3
159.11659	5.5
161.09552	7.1
163.11266	11.0
169.10106	9.4
171.11723	7.8
173.09532	5.1
173.13153	7.0
175.11214	16.0
189.09641	5.2
189.11218	32.5
189.12730	9.3
193.12209	58.0
197.13239	6.7
199.11147	7.5
211.11276	8.6
211.13124	33.2
215.14281	10.8
217.12143	5.5
223.13281	5.6
227.12656	22.8
231.13730	6.0
233.15373	22.1
241.14253	6.8
245.15520	7.0
249.14885	14.0
255.13773	6.4
264.73157	5.4
267.15897	17.4
273.14755	18.9
275.16449	6.5
311.19446	5.4
339.23215	14.9
349.21487	28.3
357.24124	14.6
358.89865	6.0
367.22726	73.0
385.23679	97.7
403.24768	38.0
441.26422	12.9
459.27414	100.0
477.28387	86.9
478.28128	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	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.5
54.28371	3.0
55.01850	15.2
55.05505	58.2
56.73908	3.4
57.03415	13.3
58.70772	3.3
67.05500	61.5
69.03408	10.1
69.07053	15.0
70.77763	5.3
70.78098	7.7
72.26029	3.2
79.05486	63.5
81.03410	35.2
81.07045	52.8
83.04987	10.7
83.08610	33.4
85.06532	5.1
91.05473	45.5
92.94733	3.4
93.07029	39.8
95.04944	28.5
95.08591	27.7
97.06512	10.1
97.10162	57.5
105.07024	37.4
106.54560	3.1
107.04941	42.9
107.08569	27.5
109.06494	12.5
109.10138	14.3
111.08035	5.8
117.06976	18.8
119.08540	25.5
121.06495	30.5
121.10128	11.0
123.08054	11.3
125.09599	41.3
128.06192	4.1
129.06982	18.9
131.04906	4.9
131.08546	30.0
133.06464	17.3
133.10115	9.0
135.08029	17.2
135.11668	7.1
141.06975	6.4
143.08530	11.6
145.06444	24.4
145.10117	14.8
147.08055	10.7
147.11685	9.3
149.09572	5.4
153.09030	9.5
153.12703	4.1
155.08534	7.1
157.06451	7.9
157.10091	11.1
159.08031	5.6
159.11656	7.6
161.05948	4.0
161.09714	4.8
163.11237	8.5
167.08485	4.1
169.10146	6.8
171.08052	6.2
171.10194	4.8
171.11693	10.5
175.11122	7.8
181.10043	3.5
185.09482	4.3
185.13208	4.9
187.11122	5.8
187.14864	4.5
189.11208	27.9
189.12648	6.9
193.12173	22.2
197.13174	6.5
199.11221	7.8
205.12206	6.8
211.13252	5.0
215.14331	8.1
217.12164	3.8
227.10625	4.9
227.12628	29.5
231.13965	3.7
233.15343	26.7
235.13414	4.6
241.14285	5.9
245.15463	4.7
249.14937	6.0
267.15912	14.2
273.14764	18.2
321.22006	4.6
339.23114	8.3
341.21063	4.7
349.21451	21.4
357.24155	19.3
367.22675	57.6
385.18826	5.1
385.23712	86.8
385.49197	3.8
396.65460	3.6
403.24838	34.7
433.25769	17.2
441.26144	8.0
459.27386	100.0
460.27521	4.2
477.28409	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3205
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
50.22485	0.8
50.89828	0.9
53.03937	1.7
54.19859	0.8
55.01860	1.0
55.05503	6.6
57.07053	3.0
59.04731	1.0
59.04993	10.1
65.03895	1.8
67.01864	1.5
67.05498	11.8
69.03403	3.2
69.06770	0.9
69.07063	10.5
70.17675	4.0
70.17953	0.9
71.04993	1.4
72.22574	1.0
76.69054	0.8
79.05478	6.4
81.03368	0.9
81.07043	26.1
83.04960	2.0
83.08617	4.4
83.33024	0.8
85.06522	3.6
91.05450	5.6
93.07032	14.7
95.04938	2.3
95.08028	1.5
95.08595	21.2
97.06500	2.1
97.10153	3.1
105.07009	6.2
107.08585	11.7
109.06480	3.7
109.09433	1.4
109.10137	18.7
109.20771	0.9
111.08060	1.9
111.11666	2.0
119.08542	5.4
121.06470	2.4
121.10141	7.5
123.08027	3.9
123.11681	8.0
125.09602	2.1
131.08545	2.8
133.10104	6.6
135.07997	3.1
135.11636	5.3
137.05984	7.9
137.09586	2.9
137.13214	3.8
139.07495	3.8
139.11194	1.4
141.05440	6.6
145.10133	2.1
147.08011	1.3
147.11696	4.9
149.05963	3.1
149.09566	1.4
149.13211	3.5
151.07527	14.3
151.11154	4.3
153.05347	2.1
157.10136	1.1
159.08022	1.8
159.11655	4.4
161.05945	2.8
161.13188	4.1
163.07513	1.1
163.14781	1.3
165.05458	11.6
165.09077	3.0
167.07014	100.0
168.07433	1.2
173.09457	0.9
175.07526	3.6
175.14774	2.0
177.05421	1.3
177.09065	2.1
177.16389	1.2
178.06155	1.0
179.06970	1.9
179.10553	1.4
181.08536	3.7
187.11119	1.3
189.09097	5.1
189.16393	1.4
191.06999	3.8
191.10680	2.0
191.14172	1.4
193.08592	3.4
201.09157	1.8
201.16344	1.1
203.10728	2.8
203.17944	2.0
205.08603	8.2
205.12262	2.2
207.10165	9.4
215.10658	3.4
217.12257	1.7
219.10072	4.0
221.11884	1.6
229.12167	1.8
231.10133	1.0
233.11746	5.3
247.13306	2.5
277.18164	0.9
293.24899	1.4
355.22327	1.3
357.24149	3.4
375.25238	4.7
399.28665	0.9
423.29013	9.0
441.29910	21.4
459.30927	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	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05504	2.6
57.03434	0.3
57.07078	0.3
67.05164	0.4
67.05500	6.4
69.03415	1.0
69.07058	1.8
69.39006	2.3
70.05650	0.2
71.04971	0.5
78.61008	0.2
79.05489	2.3
80.12766	0.2
81.03413	0.6
81.07052	5.9
83.04964	0.9
83.08593	0.9
85.02948	0.2
85.06535	0.7
91.05477	2.0
93.07034	3.6
95.04950	0.9
95.08598	12.5
97.06525	0.6
97.08104	0.3
97.10147	1.1
99.08044	0.3
101.06008	0.4
101.58050	0.2
103.05460	0.4
105.07019	2.8
107.04958	0.9
107.07921	0.4
107.08587	2.5
108.05740	0.6
109.06493	0.7
109.09439	0.4
109.10148	6.0
111.04420	0.8
111.08110	0.6
111.11672	0.3
113.06096	0.2
113.09657	0.4
115.24105	0.2
117.07009	0.4
119.08575	1.8
121.06487	1.1
121.10125	1.4
123.04444	0.3
123.08056	10.3
123.11689	4.6
125.05961	0.4
125.09641	1.1
127.11213	0.3
129.06998	0.4
130.28050	0.2
131.08569	0.8
133.06517	0.4
133.10121	1.2
135.08028	2.2
135.11732	1.1
137.05959	0.6
137.09628	1.1
137.13301	0.5
139.07535	0.6
139.11206	0.4
143.08528	0.7
145.06454	0.4
145.10155	1.1
147.08014	0.5
147.11653	0.8
149.09634	0.8
149.13237	1.5
151.07527	100.0
152.07878	1.3
155.08578	0.3
155.10696	0.4
157.10114	0.5
159.08003	0.7
159.11714	0.6
160.08881	0.4
161.06055	0.3
161.09641	2.4
161.13310	0.4
163.07568	0.3
163.11185	1.0
163.14839	0.4
165.09109	2.8
167.07056	0.6
171.11697	0.3
173.09625	1.2
173.11737	0.5
173.13171	0.4
174.10306	0.2
175.07457	0.6
175.11174	3.3
176.08296	1.1
177.09076	4.9
177.12811	0.5
178.09486	0.3
185.09619	0.3
185.11679	0.4
187.11169	1.2
187.13257	0.6
188.08279	0.5
189.09081	1.0
189.11147	0.5
189.12703	1.8
189.16341	0.3
190.09814	0.5
191.10654	19.6
192.10954	0.3
193.12262	0.5
199.07600	0.3
199.11168	2.6
201.11182	0.4
201.12845	0.2
202.09872	0.3
203.10641	2.0
203.14264	0.5
203.87248	0.2
205.12221	8.5
209.11566	0.3
211.16862	0.4
213.12694	0.6
215.10721	0.4
215.14299	0.7
217.12201	1.8
231.13817	1.8
239.20088	0.6
241.15837	0.4
245.15509	0.5
249.14845	0.3
249.21913	0.2
259.13177	0.2
259.17007	0.3
263.55026	0.2
273.14758	0.3
275.23511	0.3
285.18289	0.6
287.20111	0.3
293.24744	1.0
303.19489	1.7
321.24539	0.4
349.21411	0.3
367.22635	0.8
385.23843	1.3
395.29312	2.2
403.24850	0.5
413.30505	4.6
423.29050	0.9
431.27335	0.2
431.31693	2.7
441.30148	0.8
459.26379	0.7
459.31085	1.2
477.28238	0.3
477.32257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.05256	2.2
55.05506	25.9
57.03426	3.8
57.07057	2.7
59.04988	3.3
64.38688	1.4
64.73590	1.4
65.03932	2.0
67.01861	2.0
67.05499	29.3
69.03422	2.3
69.07059	13.4
71.04986	2.1
71.08597	1.4
74.32521	1.6
79.05484	19.8
81.03426	1.9
81.07046	41.2
83.04963	4.0
83.08614	12.3
85.06560	3.3
91.05470	10.6
93.07034	30.2
95.04925	2.7
95.08597	38.3
97.06512	2.5
97.10168	12.9
99.08118	1.4
105.07042	10.8
107.08576	20.5
107.35313	1.3
109.06499	3.9
109.10152	16.5
111.08084	2.6
111.11639	1.5
117.07005	4.1
119.08589	7.8
121.06501	4.1
121.10135	13.7
123.08053	2.8
123.11701	6.6
125.09636	11.2
131.08522	4.3
133.06444	1.3
133.10117	6.3
135.08066	2.5
135.11696	7.5
137.05922	7.6
137.09647	1.4
137.13231	2.2
139.03860	1.4
139.07507	4.4
141.05472	1.5
143.08578	2.4
143.10687	1.6
143.88120	1.4
145.10120	5.2
147.07997	2.0
147.11646	5.0
149.05939	6.4
149.09581	1.9
149.13278	7.7
149.14233	1.4
151.07521	16.9
153.05457	1.6
157.10063	2.0
159.08078	2.1
159.10249	1.8
159.11694	4.8
161.05986	4.0
161.09608	2.6
161.13272	3.7
163.07466	1.5
163.11223	1.5
163.14758	3.3
165.05508	6.6
165.09116	4.9
165.16423	2.1
167.07022	100.0
171.11589	2.0
173.13203	2.7
175.07530	3.2
175.14819	1.9
177.09105	3.4
181.08588	2.3
189.09071	6.5
191.07059	3.9
191.10570	3.2
193.08516	3.2
199.13187	3.8
200.21019	1.5
201.09068	1.5
203.10614	5.5
205.08585	8.7
205.12154	2.1
207.10152	6.7
211.53816	2.0
219.10149	3.8
221.11664	1.6
233.11710	2.0
257.14890	1.5
261.22125	3.2
275.16461	2.5
290.07043	1.5
341.24637	1.9
357.24570	1.4
367.29993	2.2
369.24152	5.3
371.26053	2.6
383.25418	2.0
385.31094	2.6
387.25391	12.3
389.26794	3.5
401.26758	3.9
403.32056	2.6
419.27640	4.7
423.28979	1.5
441.30069	5.7
459.35248	3.1
477.29004	2.8
477.35742	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	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.22103	0.2
52.76254	0.3
53.03928	0.7
55.01850	0.5
55.05507	10.5
57.03434	8.0
57.07061	1.6
60.30563	0.3
62.06076	0.5
63.35392	0.3
65.03922	0.9
67.05496	24.2
68.05827	0.3
69.07059	13.9
69.57726	0.6
69.58141	1.6
70.47237	0.2
71.04965	0.7
71.08602	0.8
79.05059	0.4
79.05486	7.1
81.07047	24.3
83.04973	0.7
83.08145	0.4
83.08614	7.2
85.06528	0.8
85.10164	0.4
89.22789	0.2
91.05472	4.6
93.07034	7.3
95.04929	0.5
95.08595	17.9
95.39507	0.3
96.08862	0.4
97.06519	1.8
97.10154	3.5
98.06078	0.4
98.98438	0.4
99.08073	0.7
101.71960	0.3
105.07014	3.3
107.08579	3.5
109.06465	0.5
109.10143	7.3
110.36344	0.3
111.08063	0.7
111.11706	0.6
114.48109	0.3
115.71795	0.3
119.08566	2.6
121.02122	0.3
121.10098	2.6
122.84045	0.3
123.08118	0.5
123.11673	2.8
124.01582	0.5
125.09625	0.5
131.08568	0.4
133.10098	2.6
135.11711	1.6
137.09639	0.5
137.13231	1.0
147.11671	1.7
149.13264	0.5
150.43866	0.3
151.11157	0.5
151.14787	0.4
153.12741	0.3
161.13277	1.1
163.14810	0.6
175.14845	0.6
198.05220	0.5
200.30396	0.3
216.06316	0.8
245.22571	0.4
263.23697	0.8
273.71945	0.3
306.27863	2.9
337.27325	100.0
338.27667	3.2
376.09448	0.3
392.83078	0.3
417.90732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05266	1.0
55.05507	9.7
56.25082	0.8
57.02148	0.9
57.03439	4.1
57.07061	1.9
58.67672	0.9
62.06082	32.2
62.41209	1.0
65.03921	1.1
67.05498	27.3
69.06712	1.7
69.07061	16.3
69.80540	5.7
71.08595	1.4
72.61249	0.9
76.02202	1.0
79.05482	9.5
81.07047	30.6
83.04980	1.5
83.08623	6.1
84.61281	0.9
91.05472	5.0
93.07028	9.6
95.04938	1.2
95.08591	22.2
97.06508	1.3
97.10168	2.1
98.06039	2.1
98.21372	1.2
98.98456	9.6
105.07012	4.9
107.08598	5.6
107.25723	0.8
109.10148	8.9
119.08557	3.0
121.10128	3.1
123.11702	2.8
124.01572	2.0
133.10205	1.8
135.11696	2.4
142.02640	1.8
147.11621	2.1
149.13210	1.9
151.14793	0.9
155.00977	4.9
161.13283	0.9
163.14827	1.0
173.02087	1.9
175.14738	1.1
216.06192	4.3
245.22636	3.0
263.23611	5.3
272.96756	1.1
306.27884	16.2
307.28320	1.7
319.26254	1.6
337.27325	100.0
338.27667	3.8
460.27667	2.1
465.16525	1.0
478.28931	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	479.118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
60.71558	0.2
61.02920	6.9
64.86319	0.2
65.03925	0.3
68.99772	0.3
69.03068	0.2
69.03410	1.0
70.48569	0.4
70.48965	0.5
71.65379	0.2
73.02912	1.8
81.03410	0.5
85.02895	5.3
91.03944	3.8
92.02618	1.2
93.03402	1.2
97.02885	3.6
99.04436	0.4
121.02857	1.0
126.03143	0.7
127.03928	1.1
137.02319	0.5
137.05986	0.3
139.03873	0.9
145.04953	0.6
151.03903	0.9
153.01810	8.3
154.02023	0.2
163.03876	0.3
165.01833	0.7
175.11563	0.2
201.05449	0.8
203.03357	0.7
217.04961	1.0
218.05717	0.5
222.60617	0.2
228.04152	1.5
229.04904	3.3
231.02969	0.4
245.04387	1.2
246.05241	1.8
257.04401	2.6
260.03110	0.4
261.07532	0.4
273.03976	1.7
274.04688	4.1
284.03088	0.4
285.03912	4.5
288.06247	0.2
302.04175	12.3
303.04755	0.9
317.06519	100.0
318.06873	2.0
329.06424	1.0
355.08240	0.3
359.07712	0.5
383.07712	0.4
443.09866	0.2
474.46072	0.2
479.12399	0.3
482.98566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.74705	0.2
57.03428	0.7
61.02641	0.4
61.02923	7.3
67.05474	0.3
68.99773	0.3
69.03407	1.0
69.93340	1.7
73.02911	1.6
73.13779	0.3
74.89847	0.3
75.40042	0.3
79.97691	0.2
81.03398	0.6
85.02409	0.5
85.02892	5.9
91.03944	3.2
91.05458	0.9
92.02617	1.1
93.03400	1.0
95.04980	0.3
96.33998	0.3
97.02882	3.3
98.21471	0.3
98.75579	0.3
99.04435	0.5
103.05463	0.3
103.28992	0.4
105.07027	0.3
109.02863	0.3
109.61384	0.3
111.00900	0.3
113.44510	0.2
115.03867	0.3
115.05389	0.4
121.02854	1.1
121.17265	0.3
122.03619	0.4
126.03144	0.4
127.03870	0.8
131.08522	0.3
131.98938	0.3
133.02827	0.3
137.02347	0.5
137.05959	3.3
139.03897	0.8
145.04945	0.5
151.03891	0.9
151.07530	2.2
153.01804	8.5
153.02980	0.6
153.05370	0.3
157.06610	0.3
161.06042	1.5
165.01778	0.5
165.09071	0.3
177.05489	0.4
177.09010	0.4
189.09015	0.7
195.10144	1.4
201.05479	0.8
203.03261	0.3
207.10110	0.4
217.04898	1.1
218.05643	0.7
219.02846	0.3
228.04150	1.6
229.04932	3.1
231.02913	0.6
237.09114	0.4
245.04443	1.2
246.05272	1.8
249.09177	0.4
257.04404	2.5
260.03134	0.6
266.46344	0.3
273.03897	1.6
274.04733	4.2
283.09579	0.3
284.02951	0.4
285.03909	5.0
285.11060	0.5
297.11298	0.8
302.00745	0.7
302.04181	12.7
303.04562	0.4
311.12787	0.5
317.06519	100.0
318.06787	2.3
329.06567	0.6
333.44144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1179
Annotation	6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
51.06388	0.4
53.03926	0.6
55.01858	0.6
57.03421	0.7
61.02920	4.8
65.03931	0.5
65.76159	0.4
67.05486	0.7
69.03403	1.8
69.32200	0.5
70.06582	0.8
71.54368	0.8
73.02896	1.2
79.05456	0.7
81.03407	0.9
81.07025	1.4
85.02897	7.4
86.09663	0.5
91.03947	2.1
91.05487	2.4
92.02607	0.7
93.03392	1.1
93.07034	1.5
95.04953	1.1
95.08588	0.7
97.02867	3.5
105.06995	1.6
107.04941	11.0
107.05683	0.7
107.08569	1.2
109.02857	1.0
109.06487	0.7
117.06994	0.7
119.04913	0.7
119.08631	0.6
121.02854	1.3
121.06503	1.1
122.03625	0.7
123.04424	0.8
123.08036	1.1
127.03891	1.5
128.06172	0.5
129.07014	0.6
131.04913	1.0
133.10042	0.5
135.08051	0.6
135.11661	0.5
137.02330	0.8
137.05968	9.5
139.03870	0.8
145.05023	0.6
145.06401	0.7
147.04396	0.7
147.08057	0.4
149.05940	0.5
151.03889	2.4
151.07520	4.8
151.77559	0.4
153.01814	7.8
161.05960	2.1
161.09628	0.8
163.07518	0.5
165.01857	1.0
165.09058	0.6
167.07060	0.5
175.07610	0.6
177.05458	0.7
177.06873	0.6
177.09058	1.0
179.98375	0.5
181.04843	0.8
183.02855	0.5
189.09093	1.8
195.02882	0.6
195.10083	3.2
201.05406	1.1
205.04909	0.6
207.10117	1.1
217.04910	1.3
228.04178	1.6
229.04936	2.8
235.06079	0.9
237.09065	0.5
243.87999	0.5
245.04381	1.6
246.05177	1.2
257.04428	2.1
265.08554	1.1
273.03845	2.4
273.11108	0.9
274.04694	6.1
283.09460	0.9
284.03241	0.5
285.03961	3.4
285.11362	0.8
297.11237	1.3
302.04169	15.8
303.04932	2.4
311.12634	1.1
315.04950	0.5
317.06522	100.0
318.06873	2.6
327.08548	0.6
329.06464	2.5
341.06522	0.8
341.10135	1.0
351.33511	0.5
355.04333	1.0
359.07526	1.7
377.01410	0.7
383.07492	1.9
383.11810	0.8
395.11322	0.9
443.09402	1.0
479.22119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
52.56182	0.5
53.03942	0.8
55.01860	1.6
55.05507	2.5
57.03429	0.5
65.03933	1.8
65.51328	0.6
65.56643	0.6
66.04742	0.8
67.05507	5.2
68.05843	0.8
69.03426	2.0
69.07064	1.7
69.65094	0.5
70.06573	1.2
71.04965	1.3
79.05486	7.9
81.03414	0.6
81.07047	6.9
82.07394	0.8
83.04971	1.6
83.08633	1.3
85.02901	0.6
85.06530	0.7
91.05468	19.7
93.07030	7.1
94.04205	4.5
94.11192	0.6
95.04962	4.6
95.08595	7.5
96.08952	1.0
97.06528	1.2
97.10145	1.1
98.20731	1.6
99.08076	1.2
100.11232	1.1
103.05491	3.5
105.07017	6.6
107.04952	5.5
107.08575	5.3
108.05732	2.1
109.06516	3.4
109.10143	3.8
111.04455	1.5
115.05428	4.4
117.07006	4.7
118.04152	0.7
119.04927	8.9
119.08517	3.2
121.02802	0.7
121.06507	6.6
121.10114	2.0
122.03626	9.1
122.04472	0.8
123.04421	1.5
123.08065	10.4
123.11698	1.6
124.08395	1.7
124.12038	0.7
125.05968	1.2
125.09631	1.5
128.06200	2.3
129.06982	6.2
131.04918	4.4
131.08546	2.5
133.06471	2.1
133.10104	1.0
135.04376	1.0
135.08054	5.1
135.11662	0.6
136.05188	3.6
137.05960	100.0
137.09622	1.7
138.06285	1.1
139.03882	0.8
139.11169	1.0
143.04913	2.2
143.08502	0.7
145.06458	3.9
145.10136	1.1
146.03673	1.0
146.07237	2.3
146.94189	0.5
147.04454	1.8
147.08067	1.7
147.11754	1.0
148.05157	1.4
149.05959	4.3
149.09599	2.8
149.13153	0.6
150.06729	0.8
151.03981	4.3
151.07524	93.3
152.06221	1.0
152.06456	1.0
152.07872	12.2
153.05402	1.0
153.06985	1.3
153.08101	4.3
155.08479	0.9
157.06454	3.0
157.10078	0.7
159.04309	0.6
159.07990	1.2
159.11697	0.9
160.05177	1.1
161.05962	29.5
161.09573	6.8
161.13258	0.6
162.06569	0.8
162.09921	0.6
163.03842	1.2
163.07539	6.0
165.05548	0.7
165.06953	2.2
165.09131	3.5
167.07066	1.5
167.08542	1.7
168.13802	0.7
173.09517	1.3
174.06737	2.7
175.07527	6.3
175.11136	0.9
175.14816	0.8
177.05560	0.7
177.06976	1.4
177.09108	10.0
178.07730	1.6
178.09299	0.7
179.08510	1.8
179.98529	0.6
181.06496	2.9
182.07314	0.7
183.07954	0.8
184.05228	0.6
187.07529	2.2
187.11142	0.8
189.09081	15.3
189.12631	0.8
190.09431	0.7
191.08755	1.0
191.10625	8.4
192.11002	2.5
193.06503	1.3
193.08606	1.2
193.11183	1.0
194.07240	2.5
195.08113	3.4
195.10129	32.7
197.05956	1.0
199.07358	0.7
199.11105	0.7
201.08958	0.8
202.07733	0.8
203.10612	1.0
205.06462	5.1
205.08449	1.3
205.12170	3.3
206.07169	1.1
206.12610	1.2
207.08035	2.4
207.10147	10.1
208.08711	0.8
209.05930	1.7
210.06731	1.8
211.07512	1.4
213.09201	0.9
219.08115	3.1
221.05981	2.2
221.09663	0.8
222.06754	3.1
223.07515	2.0
224.08322	1.7
225.05420	1.0
225.09128	2.1
227.06946	1.4
233.05942	2.7
234.06673	2.4
235.07463	1.9
236.08165	0.7
237.09059	7.9
238.06204	1.6
239.06908	0.9
239.10664	1.5
240.07683	1.2
241.08594	2.9
245.09575	1.6
247.07549	1.7
249.05420	0.7
249.09055	2.2
250.06232	1.8
251.06990	2.2
251.10579	1.3
253.08511	4.0
254.09227	0.8
255.10062	1.7
261.09055	0.9
262.06241	1.1
263.06979	1.3
263.10715	1.0
264.07773	1.0
265.08557	13.5
266.09213	1.7
267.10092	2.5
268.07236	2.1
269.07919	2.9
269.11786	1.0
270.08798	1.0
273.08725	1.1
273.11234	2.3
277.08554	3.5
277.11957	0.9
279.10184	2.3
281.07861	0.7
283.09552	6.8
284.10373	2.0
285.11145	8.3
287.12848	1.0
291.10236	0.7
293.11688	0.7
295.20041	0.9
297.11203	17.7
298.11829	1.7
299.12817	1.8
305.11746	2.9
309.11240	1.7
311.12802	11.2
317.06415	0.7
317.13855	6.4
323.12646	2.6
337.14359	3.5
341.13977	1.2
355.15186	1.8
375.15918	0.9
403.15390	1.5
415.31042	1.2
419.18494	0.9
429.17023	0.8
433.16055	1.2
435.17883	1.5
443.27939	0.7
447.17560	1.4
458.88257	0.6
461.19394	1.1
461.28195	0.9
479.20926	5.4
479.35916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01871	1.0
65.03934	1.8
67.05509	0.8
70.24582	3.6
70.24952	1.2
77.03914	2.0
79.05480	6.3
79.28822	0.7
81.03375	0.8
81.07038	2.7
91.05470	23.5
93.07017	4.4
94.04175	3.9
95.04961	4.7
95.08612	1.8
98.21392	1.1
103.05463	3.6
105.07019	3.7
107.04948	5.4
107.08552	2.1
108.05730	2.1
109.06536	1.3
109.10120	1.0
115.05457	5.8
115.75970	0.8
117.07013	4.7
118.04278	0.9
119.04921	13.6
119.08556	1.5
121.06473	6.3
121.10138	1.0
122.03631	8.2
123.04395	1.7
123.08068	6.9
128.06197	3.8
129.06944	5.4
131.04932	3.6
131.08559	1.9
133.02838	9.1
133.06465	2.4
135.04361	1.8
135.08008	4.3
136.05173	3.7
137.05959	100.0
138.06313	1.6
143.04933	2.0
145.06447	2.7
146.03616	2.3
146.07265	1.8
147.08020	2.2
148.05151	1.6
149.05957	5.3
149.09618	2.0
150.06702	0.9
151.03899	3.3
151.07518	72.9
152.07835	1.6
153.07018	1.3
157.06435	4.5
159.07990	1.4
160.05122	1.8
161.05959	30.6
161.09604	4.6
163.07529	8.2
165.05537	2.0
165.07013	3.8
165.09062	4.5
167.08528	1.3
169.06459	1.3
171.08038	0.9
174.06731	2.8
175.07547	9.6
177.06960	1.2
177.07475	1.2
177.09074	10.2
178.07712	1.3
179.08553	2.0
181.06444	2.7
182.07297	1.2
182.33751	0.9
183.08168	1.0
187.07556	3.4
189.09065	15.9
191.08607	1.5
191.10634	2.1
193.06497	2.5
194.07253	2.9
195.08124	4.2
195.10130	37.5
197.05977	1.1
197.09758	0.9
198.06790	0.9
199.07515	1.7
203.08667	1.1
205.06508	4.3
205.08566	2.5
206.07227	1.4
207.08035	2.9
207.10170	7.7
208.08910	1.3
209.05940	1.9
209.09624	1.8
210.06747	2.9
211.07512	2.7
213.09065	1.6
217.10115	1.2
219.08066	5.9
221.05946	3.2
221.09567	0.8
222.06763	3.1
223.07477	3.6
224.08304	1.8
225.05487	1.2
225.09077	4.2
227.07025	2.4
227.10664	0.9
231.08101	1.2
233.06085	1.9
234.06734	2.2
235.07501	3.1
236.08359	2.5
237.05411	1.1
237.09055	8.9
238.06291	1.8
239.06949	1.4
239.10616	2.0
240.07768	1.6
241.08522	2.5
241.12053	1.1
245.09500	2.1
247.07521	3.2
247.64577	0.9
249.09149	2.5
250.06213	3.4
251.06900	3.1
251.10672	2.7
252.07741	1.4
253.08566	7.6
254.09221	1.5
255.06367	1.6
255.10161	3.0
263.07050	1.6
264.07886	1.7
265.08582	17.9
266.09146	2.4
267.10132	3.7
268.07236	2.1
269.08051	3.2
269.11874	1.2
270.08887	2.5
273.08881	1.4
273.11493	1.1
275.07172	1.1
277.08594	3.6
279.10159	5.3
282.08859	1.7
283.09592	9.1
284.10342	2.4
285.11191	13.5
287.12845	1.2
290.09341	1.0
296.10370	2.6
297.11185	25.6
298.11859	2.0
299.12732	3.4
303.04861	1.0
305.11603	4.3
309.11157	2.0
311.12793	14.2
317.13852	5.1
323.12808	4.3
328.11166	0.9
329.13861	1.2
337.14468	4.6
341.13879	2.5
355.15381	4.0
369.11060	1.0
403.14960	1.5
429.16699	1.5
433.16434	1.5
435.17966	1.8
447.18018	1.7
461.19635	2.1
479.20773	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01859	1.6
55.05495	1.7
55.99474	0.4
57.03427	0.8
65.03936	1.2
66.04694	0.6
67.05491	3.5
69.03416	1.1
69.07067	1.0
69.39015	3.7
71.05000	0.6
77.03905	0.5
79.05486	5.6
80.05769	0.5
81.03401	0.7
81.07054	3.7
83.08615	0.9
84.07862	0.4
91.05469	20.5
92.05788	0.5
93.07034	4.6
94.04182	4.0
95.04963	4.4
95.08600	2.1
97.06509	0.9
97.10165	0.8
98.21463	0.9
103.05443	2.6
105.07008	4.7
107.04955	4.9
107.08582	3.7
108.05737	2.1
109.06509	3.5
109.10152	1.0
111.04441	0.9
115.05428	4.9
116.06236	0.6
117.07013	4.5
119.04935	9.6
119.08580	1.5
121.06493	6.4
121.10146	0.9
122.02826	0.7
122.03645	9.0
123.04416	1.4
123.08055	6.4
125.05961	0.5
125.09592	0.5
128.06227	2.1
129.06984	7.3
131.04930	4.5
131.08563	1.8
133.06474	2.0
133.10135	1.1
135.04427	0.7
135.08051	3.5
136.05183	3.1
137.05962	100.0
138.06288	1.5
139.07504	0.5
141.05450	0.4
141.06938	0.5
143.04919	2.7
143.08521	0.7
145.06480	3.5
145.10121	0.6
146.03647	0.8
146.07281	0.9
147.04393	0.8
147.08084	1.2
147.11710	0.8
148.05157	1.3
149.05969	3.3
149.09593	2.9
149.13356	0.5
150.06740	0.6
151.03975	3.4
151.07526	62.5
152.06238	0.5
152.07848	1.0
153.05539	0.4
153.07033	1.3
154.07797	0.4
155.04984	0.5
156.05739	0.6
157.06476	4.0
157.10107	0.5
159.08054	0.8
159.11765	0.5
160.05191	1.0
161.05963	23.0
161.09584	4.4
162.06737	0.9
163.07541	6.3
163.11208	0.6
165.07010	1.9
165.09097	3.4
166.07808	0.9
167.07027	1.4
167.08543	1.2
167.10683	0.6
174.06743	2.7
175.07538	6.6
175.11095	0.5
177.06932	1.0
177.09091	7.2
177.12700	0.5
178.07780	1.1
179.07156	0.4
179.08557	1.6
181.06387	2.2
181.08571	0.4
182.07249	1.3
183.07994	0.6
187.07497	2.5
189.05467	0.8
189.07298	0.9
189.09087	12.3
190.07733	0.8
191.08611	1.0
191.10638	1.5
193.06458	1.8
193.08321	0.5
193.10194	0.5
194.07283	1.8
195.08105	2.7
195.10136	31.8
196.08804	0.5
196.10403	0.5
197.05933	1.1
198.06670	0.7
199.07483	0.6
202.07744	1.2
203.08588	0.6
205.06482	5.3
205.08525	1.2
206.07158	0.8
207.08037	2.3
207.10152	5.8
209.05927	1.5
209.09647	1.0
210.06699	2.0
211.07545	1.6
212.08125	0.4
213.09081	1.0
217.10153	0.8
218.07228	0.6
219.08041	2.7
221.05968	2.6
221.09628	0.9
222.06653	2.8
223.07484	3.2
224.08296	1.1
225.05492	0.6
225.09042	2.2
226.06137	0.5
227.06999	1.4
227.10620	0.8
233.05939	2.7
233.09631	0.6
234.06796	2.0
235.07462	2.6
236.08290	1.4
237.05484	0.7
237.09058	8.5
238.06200	1.7
239.06992	1.4
239.10715	1.8
240.07838	1.3
241.08556	1.7
245.09572	2.4
247.07549	1.9
248.08167	1.1
249.09058	2.8
250.06323	2.4
250.09790	0.7
251.07004	2.1
251.10684	1.3
252.07582	0.6
253.08534	5.5
254.09312	1.1
255.06383	0.9
255.10167	1.4
261.09195	0.7
262.06168	1.1
262.09793	0.5
263.06973	0.6
264.07944	0.7
264.11044	0.4
265.08582	14.4
266.09180	1.9
267.10168	2.9
268.07306	1.8
269.07916	2.6
269.11691	0.9
270.08670	0.9
271.09637	0.7
273.08932	1.3
273.11246	1.6
274.09976	0.6
277.08600	2.7
277.12247	1.2
279.09995	2.2
281.07822	1.0
282.08929	0.5
283.09579	6.5
284.10367	2.2
285.11194	11.6
287.12689	1.3
290.09348	0.7
295.13400	0.7
296.10437	1.2
297.11188	16.1
298.11948	1.3
299.12927	2.2
305.11707	2.4
309.11230	1.2
311.12787	9.9
313.08563	0.5
317.13885	4.9
322.12051	0.7
323.12790	2.9
325.08575	0.7
326.09048	0.5
327.10059	0.6
337.14362	4.0
341.13754	1.9
343.13220	0.5
353.11798	0.6
355.15253	1.6
357.11292	0.6
371.12793	1.0
375.15869	0.7
387.24390	1.3
388.12820	0.5
401.13477	0.7
403.15228	1.5
419.18073	0.5
420.15399	0.5
429.16815	1.0
433.16171	0.6
435.17929	1.6
444.87570	0.4
447.17709	1.1
461.19666	1.3
461.28082	1.5
479.20471	3.4
479.29300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.7
55.01845	4.8
55.05501	15.0
57.03416	3.6
57.07053	4.3
59.04976	6.0
62.58992	1.5
65.03921	2.2
67.01832	1.7
67.05170	2.3
67.05495	37.7
69.03402	2.6
69.07065	11.7
70.74431	3.5
71.04975	2.8
79.05481	27.2
81.03410	9.6
81.07047	42.9
83.04978	8.5
83.08624	9.6
85.02881	3.8
85.06525	11.1
91.05476	25.8
93.07034	43.9
95.04947	11.4
95.08597	61.9
97.02848	1.8
97.06517	4.6
97.10146	3.8
99.04469	1.8
102.50688	1.8
103.05408	2.3
104.59089	1.6
105.04491	2.3
105.07006	21.7
107.04916	2.1
107.08576	27.7
109.02808	2.4
109.06522	8.7
109.10140	14.2
111.04418	4.0
111.08044	9.2
115.05448	2.7
116.42547	1.8
117.06985	8.3
119.08579	18.4
121.06470	6.2
121.10130	19.0
123.08052	8.7
123.11670	7.6
125.09545	3.1
128.06195	3.7
129.06978	10.8
131.08530	12.7
133.06425	1.8
133.10110	15.1
135.08003	5.4
135.11665	14.3
136.05087	1.5
137.05942	3.8
137.13234	3.3
139.07472	5.1
141.05469	2.4
141.06947	5.9
141.09030	2.8
142.07730	5.1
143.08516	13.1
144.09299	1.9
145.06458	2.9
145.10104	15.0
147.08017	6.4
147.11685	9.2
148.50842	1.5
149.05954	2.3
149.09561	4.0
149.13243	9.8
151.07513	4.7
151.11153	2.9
155.08559	8.1
156.09244	2.3
157.06471	3.2
157.10103	14.9
159.07999	3.7
159.11682	13.1
161.05997	2.3
161.09599	1.9
161.13182	4.1
163.11104	5.0
163.14746	2.2
165.05542	2.5
165.06941	4.1
166.07762	3.0
167.07043	58.0
167.08504	8.5
168.09299	2.6
169.06497	1.8
169.10097	12.0
170.10866	2.5
171.07988	5.0
171.11618	7.4
173.05884	3.2
173.09593	2.2
173.13251	5.4
175.07463	3.3
175.11096	2.5
177.12772	2.4
177.16359	2.6
178.07706	2.3
179.08492	5.9
180.09248	2.8
181.06401	3.3
181.08685	2.0
181.10040	9.5
182.10835	2.6
183.07994	5.4
183.11687	8.5
185.09581	5.9
185.13239	7.0
187.07472	3.0
187.11243	3.1
187.14731	4.0
189.09119	2.1
189.12611	2.2
191.08556	1.9
192.09271	3.5
193.08563	1.7
193.10101	9.3
193.12201	6.5
194.10812	2.8
195.07985	6.1
195.11655	8.4
195.13503	2.6
196.08813	2.7
197.09573	4.7
197.13254	8.8
199.07503	6.9
199.11122	5.2
201.09053	3.9
201.12708	3.5
204.01736	1.8
205.08455	3.4
205.10233	3.1
205.12177	2.7
206.10867	3.6
207.08015	4.3
207.09927	2.8
207.11655	6.3
208.12369	2.6
209.06099	2.0
209.09624	7.9
209.13203	8.7
210.10289	2.2
211.07506	4.4
211.11140	4.4
211.13225	8.5
213.09085	7.0
213.12650	3.2
215.10651	5.2
218.10887	2.7
219.11655	5.7
220.08809	2.9
220.12285	2.2
221.09634	3.0
221.13197	5.2
223.07480	6.3
223.11150	2.8
223.14850	4.1
225.09030	4.6
225.12657	6.8
227.10645	5.8
229.12172	6.2
231.13751	2.3
233.09464	3.0
233.13295	4.1
234.10393	2.0
234.13942	2.6
235.07532	3.5
235.11104	5.2
235.14903	2.7
237.09012	5.9
237.12677	5.0
237.16277	1.9
239.10640	9.3
241.12192	5.2
243.13765	5.5
247.11130	2.4
248.11865	2.1
249.09077	5.0
249.12666	2.7
251.10683	9.2
251.14317	2.4
253.12260	15.0
255.13704	3.1
256.14313	1.8
261.12662	3.4
263.10611	3.6
263.17822	1.8
265.12170	7.5
267.13583	4.2
271.13217	10.2
277.12045	4.0
277.19391	2.2
279.13788	13.6
279.16403	1.9
281.15213	5.1
291.13840	4.7
293.15164	5.1
297.14853	3.6
299.16412	2.5
303.17603	1.8
305.15277	3.1
306.16077	2.2
307.17026	2.5
319.16943	8.7
321.18436	9.9
322.05429	1.8
339.19470	2.5
347.20050	6.3
369.23990	1.9
384.83420	1.8
387.24490	2.3
404.43604	1.8
415.25995	8.4
425.24716	7.4
425.29984	2.6
433.27240	5.8
443.25793	32.2
443.31476	2.5
444.25769	2.7
461.26831	87.0
462.27115	7.5
479.27872	100.0
480.28119	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	479.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.5
55.01848	6.8
55.05505	28.4
56.96535	4.1
57.03413	8.9
57.07066	4.1
61.02915	5.9
65.03925	4.5
65.05566	3.4
67.05154	5.9
67.05495	74.8
68.04645	3.1
69.03424	9.9
69.07062	21.7
70.13828	5.2
70.14231	8.7
71.01327	3.5
71.04973	9.3
74.09708	4.4
79.05479	51.4
81.03401	19.5
81.07048	70.5
83.04994	24.5
83.08604	14.8
85.02883	10.5
91.05476	57.2
93.07030	78.6
95.04961	30.2
95.08598	100.0
97.02911	4.2
97.06502	14.0
97.10164	8.5
98.21379	4.7
99.04446	4.8
99.08076	5.4
103.05392	4.8
105.07021	52.4
107.04932	8.0
107.08579	48.7
108.08968	3.4
109.06520	10.8
109.10131	26.5
111.04440	8.5
111.08070	15.3
117.06992	14.9
119.08564	49.9
121.06486	17.1
121.10143	34.1
123.08075	13.7
123.11660	12.0
123.84917	3.4
125.09622	6.3
128.06221	8.1
129.06990	18.5
131.08571	37.6
133.06479	7.7
133.10089	32.8
135.08044	10.4
135.11668	22.9
137.05978	6.7
137.09584	5.6
137.13271	4.0
139.07529	6.9
141.06956	9.3
141.09048	4.2
142.07761	20.7
143.08545	31.9
145.06476	10.1
145.10124	27.1
147.08043	8.8
147.11668	21.9
149.09621	7.8
149.13234	11.3
153.06902	4.2
155.08519	19.7
156.09312	13.7
157.10115	32.3
159.08055	14.8
159.11700	29.3
161.09564	17.3
161.13239	11.0
163.11176	4.6
167.07079	6.3
167.08543	11.4
169.10103	14.0
171.08061	9.7
171.11684	37.4
172.08749	5.2
173.09584	13.5
173.13266	20.0
175.07544	3.7
175.11183	14.2
179.08607	4.7
181.10062	15.4
183.08044	9.5
183.11681	18.9
185.06038	3.7
185.09665	24.0
185.13214	8.2
187.11137	13.0
187.14827	5.8
189.09154	5.7
193.10283	7.9
193.12210	16.8
195.08115	6.8
195.11676	10.1
195.13817	3.7
197.09601	4.7
197.13263	12.0
199.11157	28.3
201.09128	3.9
201.12714	19.0
203.10617	9.4
207.11671	8.4
209.09566	7.2
209.13251	6.7
211.11125	9.5
211.13319	10.2
213.08998	7.9
213.12732	11.8
215.14308	13.0
217.12271	9.6
219.11769	4.7
219.13762	8.8
221.13306	9.1
223.11154	6.6
223.14760	3.9
225.12691	7.3
227.10690	21.1
227.14354	4.7
229.08582	3.9
229.12198	7.7
229.15852	4.7
231.10060	8.6
233.13190	4.1
233.15308	11.5
235.14793	4.4
235.16934	5.8
237.12650	6.1
239.14180	3.4
241.12277	4.7
243.13750	7.1
244.31572	3.8
245.11504	18.7
247.11124	4.0
247.16974	4.7
249.12842	4.4
251.14285	8.3
257.12875	4.7
261.12766	3.8
261.16266	4.1
267.16052	7.5
275.14471	4.0
277.15704	4.7
279.13812	5.7
285.09991	5.2
293.18869	5.1
303.17511	5.7
313.05457	3.6
319.20151	3.9
321.18387	11.5
351.23083	4.6
369.23801	5.1
387.24741	7.1
397.25174	4.2
415.26166	15.7
425.24832	4.7
433.27594	23.4
443.25818	18.4
461.26752	63.6
479.27875	94.6
480.28082	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	479.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.01860	2.7
55.05506	17.4
55.80481	2.1
57.03425	6.2
57.07061	2.6
65.03925	2.3
67.05499	49.2
69.03426	4.4
69.07059	11.4
70.74051	3.0
70.74397	4.8
71.05003	3.9
74.98035	1.8
79.05479	30.0
81.03412	16.8
81.07053	55.5
82.07354	2.2
83.04978	15.3
83.08612	14.7
85.02922	5.9
91.05477	35.7
93.07038	50.8
95.04966	17.8
95.08595	100.0
97.06512	11.2
105.07027	42.7
107.04990	4.6
107.08582	31.7
109.06504	7.4
109.10147	18.3
111.04456	7.8
111.08072	11.9
115.05459	2.7
117.07005	10.7
119.08572	33.7
121.06515	10.6
121.10139	25.5
122.10352	2.1
123.08056	13.7
123.11673	5.4
125.09595	3.4
128.06187	4.5
129.06993	12.3
130.07797	4.3
131.08559	30.6
133.06470	4.9
133.10129	21.8
135.08017	6.4
135.11705	11.1
139.07509	6.5
141.06982	6.3
141.09056	4.0
142.07796	15.1
143.08540	21.8
144.05714	2.9
144.09265	2.5
145.06482	8.4
145.10115	23.5
147.04332	2.4
147.08080	11.7
147.11661	10.8
149.09604	6.8
149.13255	8.8
153.06981	2.4
155.08531	13.7
156.09306	9.9
156.10445	2.6
157.06503	7.5
157.10112	29.3
158.10744	2.1
159.08051	15.6
159.11667	24.9
160.08879	2.3
161.05876	2.9
161.09706	10.6
161.13274	6.8
163.11118	3.1
165.07051	8.9
166.07869	2.6
167.08643	5.1
168.09302	3.4
169.10120	10.1
171.08044	9.5
171.11682	20.1
173.09601	8.3
173.13307	13.1
175.07547	5.2
175.11194	10.8
179.08607	5.5
180.09297	4.4
181.10118	9.0
183.08020	3.7
183.11665	8.5
185.05983	3.7
185.09607	16.7
185.13307	4.4
186.10356	4.6
187.11183	9.2
187.14818	4.3
189.09061	2.7
193.10170	4.2
193.12280	12.0
195.08057	4.4
195.11720	5.3
195.13686	3.0
196.08920	3.5
197.09608	6.5
197.13309	7.7
199.07660	2.3
199.11143	14.7
201.09122	5.7
201.12732	16.8
203.10667	5.7
205.10208	2.6
207.11693	5.9
209.09610	7.9
209.13223	4.4
211.07492	4.2
211.11191	7.4
211.13298	15.0
213.09064	4.6
213.12830	4.6
215.14282	10.3
217.12256	7.8
217.15723	3.9
219.13869	4.8
219.82901	2.2
221.09612	4.1
221.13206	4.7
223.11133	10.4
223.14758	4.2
225.12737	5.2
227.10643	14.9
227.14331	3.6
229.08620	3.4
229.12282	4.5
232.12456	2.4
233.13333	3.8
233.15381	10.6
235.14873	2.4
237.09251	3.2
237.12834	4.3
241.12218	5.1
243.13855	2.5
245.11581	12.6
247.11209	3.8
247.14931	3.0
249.12730	4.2
251.08315	2.5
251.14259	5.0
261.16342	2.8
263.14322	3.3
267.13663	2.4
275.17938	3.6
277.15741	4.3
279.13760	5.6
281.15424	3.1
297.14941	2.5
303.17459	4.7
309.18369	2.3
319.20636	2.9
321.18472	9.2
329.18774	2.9
381.71741	2.3
397.25256	3.1
415.26312	6.7
419.21487	4.2
419.26416	4.1
425.24692	3.8
433.27203	13.9
435.24863	3.7
443.25790	15.9
451.28699	3.5
461.26920	43.4
479.28311	57.3
480.29391	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	479.2789
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
53.03928	2.4
55.05504	12.2
56.05862	2.0
57.03426	4.6
57.07048	2.1
67.05161	2.9
67.05496	29.2
68.05824	1.6
69.03415	4.6
69.07053	8.6
69.33875	15.7
71.04980	2.7
79.05475	13.4
81.03392	2.7
81.07053	23.8
83.04977	11.4
83.08603	6.5
85.06532	2.4
91.05473	14.1
93.07031	25.6
95.04943	8.6
95.08595	48.6
97.06504	7.7
103.05450	1.9
105.07014	13.8
107.08573	21.5
109.06479	5.0
109.10129	12.1
111.04436	2.2
111.08046	5.8
112.99146	1.8
115.05390	1.8
115.94943	1.7
117.06998	5.1
119.08569	13.8
121.06485	5.2
121.10128	15.9
123.08041	10.8
123.11687	4.2
125.09577	2.7
128.06219	3.3
129.06990	5.3
131.05000	1.9
131.08522	6.7
133.10097	8.6
135.08044	2.3
135.11664	10.2
137.05989	2.4
137.09554	4.1
139.07524	2.1
141.05510	1.7
141.06909	3.1
141.09106	4.0
142.07750	2.7
143.08537	6.3
144.09270	1.6
144.47536	1.5
145.06425	2.9
145.10085	10.8
145.91409	1.5
147.08028	2.8
147.11650	4.1
149.09602	2.9
149.13194	4.2
154.07733	2.2
155.08534	8.6
156.09332	2.9
157.10095	10.2
159.07913	1.9
159.11717	10.5
161.09593	3.8
161.13243	2.3
163.11143	5.3
165.06987	3.6
167.07030	9.5
167.08531	5.8
169.10135	7.2
170.10855	2.6
171.08110	2.7
171.11665	7.6
172.08839	2.5
173.13243	6.1
177.12717	4.5
179.08557	6.4
180.09288	3.9
181.10066	7.9
182.10828	2.6
183.08035	4.2
183.11630	10.8
185.09557	4.4
185.13135	3.7
187.11162	4.0
187.14717	2.0
193.10138	4.4
194.10841	4.6
195.08000	5.5
195.11674	9.2
196.12482	2.6
197.09610	1.8
197.13249	5.0
199.11215	3.6
199.14825	2.0
203.14357	1.9
205.10036	3.2
207.11789	3.8
208.08736	2.3
208.12485	2.1
209.09572	6.8
209.13210	18.9
211.11232	3.8
211.14754	3.5
213.09088	9.3
215.14253	2.1
217.12091	2.0
219.11751	3.9
220.12405	3.3
220.57375	1.9
221.09535	4.6
221.13148	2.6
222.10368	9.7
223.11220	6.8
223.14784	7.0
224.11748	2.3
225.09299	1.6
225.12711	7.6
225.16264	2.3
227.10649	3.6
231.10156	6.6
233.13312	4.1
235.11160	5.0
235.14799	4.5
236.11841	2.5
237.12718	37.2
237.16386	4.0
238.13089	2.1
239.14319	3.9
246.14069	2.4
247.11148	2.6
249.12758	2.9
251.14284	12.3
253.12265	2.0
259.13144	2.1
261.12677	6.6
264.11481	3.2
265.12219	3.2
265.15952	2.6
265.19098	1.9
271.13226	11.8
277.15762	1.9
277.19379	3.1
279.10709	2.7
279.13788	52.1
279.17075	3.5
280.14151	3.7
281.15329	4.0
283.13272	8.2
293.18979	4.5
295.16888	2.6
297.14810	100.0
298.15195	2.6
300.86594	1.8
303.17255	3.2
306.16476	1.7
307.27960	3.0
319.16949	2.7
319.20456	2.3
321.18478	5.1
323.16544	3.1
333.18445	2.7
337.17926	5.0
337.27301	2.7
338.27744	21.4
339.19614	10.7
347.19809	3.4
365.20944	6.4
405.26163	2.4
415.26224	5.4
425.24509	4.2
433.27200	8.7
443.25818	12.0
443.30920	2.7
461.26810	16.4
479.27859	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76295	2.6
52.83414	2.6
53.03922	10.1
55.01851	4.2
55.05288	3.0
55.05503	35.7
57.03418	5.2
57.07054	7.2
65.03924	5.8
67.05158	5.5
67.05495	78.6
67.97906	3.1
69.03411	6.8
69.06705	2.7
69.07059	31.8
70.17219	13.3
70.35118	2.5
71.04969	4.9
71.08663	2.7
71.56336	2.4
77.03935	2.5
79.05481	50.7
81.03404	24.5
81.07047	100.0
83.01350	2.8
83.04975	22.7
83.08279	2.0
83.08607	21.2
85.02882	11.0
85.06519	5.0
91.05470	52.6
93.07027	70.5
95.04958	36.1
95.08593	92.4
95.09219	4.6
97.06500	10.6
97.10132	6.4
98.20824	3.6
99.00818	7.2
99.04422	4.7
103.05432	2.3
105.07011	42.2
107.04961	6.8
107.08591	32.0
109.06494	9.8
109.10142	19.1
111.04417	7.7
111.08069	16.6
113.05943	4.2
117.06987	12.6
119.07857	3.3
119.08579	30.7
121.06458	12.2
121.10109	23.8
123.08060	13.4
123.11674	10.0
125.05910	3.2
125.09586	3.1
128.06195	5.6
129.06961	12.3
131.08566	26.1
133.06482	7.2
133.10106	28.2
135.08023	5.2
135.11642	10.1
137.05919	5.8
137.13263	3.2
139.07466	7.6
141.06929	3.8
142.07750	8.5
143.08539	15.7
145.06490	4.5
145.10126	23.9
147.07986	5.3
147.11678	13.9
149.09555	8.5
149.13210	15.7
151.11174	4.2
155.08548	7.4
156.09282	12.1
157.06522	4.1
157.10114	19.7
159.08023	12.8
159.11710	21.6
161.05791	3.5
161.09564	6.5
161.13202	4.0
163.11197	4.8
165.06979	6.5
167.07033	25.1
169.10063	6.2
171.08043	7.8
171.11632	32.7
172.12447	2.8
173.09601	7.2
173.13274	15.2
175.07442	4.4
175.11136	9.6
177.05418	10.1
177.12810	4.2
181.04932	11.2
181.10168	8.1
183.06551	4.4
183.11652	12.2
185.09584	10.4
185.13193	5.3
186.10278	4.0
187.11153	7.8
187.14774	4.0
189.09116	16.0
193.10425	5.4
193.12218	27.3
194.10947	3.0
195.06476	22.7
195.07857	2.5
195.11722	6.1
195.13751	10.8
197.13225	4.9
199.11208	6.0
199.14771	3.4
201.12781	12.9
203.10661	5.2
205.10298	2.8
206.10837	3.5
207.11778	2.8
209.08044	8.0
209.13225	6.4
211.11296	6.3
211.13193	25.7
213.12646	6.3
215.14256	8.6
217.12256	17.1
217.15900	4.1
219.11754	4.2
219.13737	4.3
221.09654	3.5
221.13164	6.8
223.07541	4.0
223.09444	17.9
223.14833	6.1
225.12764	4.6
227.10721	6.5
229.12271	3.2
231.13777	5.9
233.13179	3.9
233.15250	9.6
235.14763	5.5
237.09111	3.8
237.11057	16.6
241.12115	2.8
245.11757	9.4
246.12482	6.7
249.11037	17.3
255.80804	2.9
260.15646	3.1
263.12704	4.4
267.15906	3.3
275.17804	3.8
277.19547	3.1
303.05991	2.7
321.18411	14.2
339.19391	3.4
415.25998	7.5
419.22031	3.5
433.27371	9.1
440.39728	3.0
443.25604	9.6
443.31509	19.2
461.26877	34.4
461.32486	79.7
479.28113	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2785
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
53.03925	2.7
55.01849	1.7
55.05500	6.9
57.03419	2.1
57.07061	1.3
65.03922	1.7
66.65332	0.7
67.05494	23.4
69.03414	1.2
69.07061	4.1
69.83892	3.2
69.84305	1.6
71.01346	0.9
71.04978	2.4
73.02886	0.8
74.00814	0.7
79.05480	12.9
81.03403	6.7
81.07049	20.8
83.04967	6.9
83.08603	4.5
85.02881	2.4
85.06519	2.7
85.47911	0.7
91.05473	14.8
91.80423	0.7
93.07029	18.0
95.04420	1.1
95.04964	10.5
95.08595	59.3
96.08923	1.1
97.02843	0.8
97.06499	3.2
97.10145	1.8
97.13020	0.7
98.20734	1.5
99.00837	0.8
99.04443	1.0
105.07020	7.7
107.04942	1.6
107.08588	8.7
109.02838	1.3
109.06505	40.8
109.10117	2.8
111.04455	4.5
111.08059	3.6
117.06994	2.5
119.08578	6.8
121.10111	5.4
123.08051	0.9
123.11682	1.8
128.06201	1.1
129.06963	2.6
131.08575	6.2
132.79559	0.8
133.06441	0.7
133.10114	5.7
135.08028	1.3
135.11678	1.9
137.05969	9.7
139.07547	1.2
141.06950	1.1
142.07756	2.1
143.08539	3.7
145.10080	3.2
147.11655	3.3
149.09625	1.8
149.13255	3.8
153.06981	0.8
155.06992	9.9
155.08487	3.0
156.09308	1.9
157.10110	4.8
159.08029	1.1
159.11726	3.8
161.09610	1.1
165.06883	1.0
167.07008	2.9
167.08443	0.9
169.10118	3.1
170.10899	1.7
171.08121	0.9
171.11717	5.5
175.11195	2.5
177.12726	1.1
179.08423	1.0
183.11624	4.9
183.70950	0.7
185.13251	3.7
187.11145	0.9
193.10374	0.7
193.12198	4.5
195.06459	1.2
195.11597	2.0
195.13763	2.2
197.13199	1.5
199.11176	1.0
199.14853	0.9
201.12814	0.9
207.11708	1.3
209.07956	0.8
209.13249	1.1
211.11255	1.5
211.13147	6.1
213.12686	2.0
215.10622	1.7
217.12184	1.6
223.14899	1.2
224.57689	0.8
229.12254	1.3
231.13745	9.1
238.80492	0.7
243.13744	2.3
263.17987	0.8
267.15869	1.2
269.17612	1.3
323.19949	1.0
325.21457	1.1
351.23184	0.8
369.24161	1.1
433.27261	1.5
435.29181	0.8
443.25757	1.8
454.86996	0.8
461.26563	4.0
461.32516	2.6
479.27881	100.0
480.28198	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	479.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01849	1.7
55.05500	6.9
57.03419	2.1
57.07061	1.3
65.03922	1.7
66.65332	0.7
67.05494	23.4
69.03414	1.2
69.07061	4.1
69.83892	3.2
69.84305	1.6
71.01346	0.9
71.04978	2.4
73.02886	0.8
74.00814	0.7
79.05480	12.9
81.03403	6.7
81.07049	20.8
83.04967	6.9
83.08603	4.5
85.02881	2.4
85.06519	2.7
85.47911	0.7
91.05473	14.8
91.80423	0.7
93.07029	18.0
95.04420	1.1
95.04964	10.5
95.08595	59.3
96.08923	1.1
97.02843	0.8
97.06499	3.2
97.10145	1.8
97.13020	0.7
98.20734	1.5
99.00837	0.8
99.04443	1.0
105.07020	7.7
107.04942	1.6
107.08588	8.7
109.02838	1.3
109.06505	40.8
109.10117	2.8
111.04455	4.5
111.08059	3.6
117.06994	2.5
119.08578	6.8
121.10111	5.4
123.08051	0.9
123.11682	1.8
128.06201	1.1
129.06963	2.6
131.08575	6.2
132.79559	0.8
133.06441	0.7
133.10114	5.7
135.08028	1.3
135.11678	1.9
137.05969	9.7
139.07547	1.2
141.06950	1.1
142.07756	2.1
143.08539	3.7
145.10080	3.2
147.11655	3.3
149.09625	1.8
149.13255	3.8
153.06981	0.8
155.06992	9.9
155.08487	3.0
156.09308	1.9
157.10110	4.8
159.08029	1.1
159.11726	3.8
161.09610	1.1
165.06883	1.0
167.07008	2.9
167.08443	0.9
169.10118	3.1
170.10899	1.7
171.08121	0.9
171.11717	5.5
175.11195	2.5
177.12726	1.1
179.08423	1.0
183.11624	4.9
183.70950	0.7
185.13251	3.7
187.11145	0.9
193.10374	0.7
193.12198	4.5
195.06459	1.2
195.11597	2.0
195.13763	2.2
197.13199	1.5
199.11176	1.0
199.14853	0.9
201.12814	0.9
207.11708	1.3
209.07956	0.8
209.13249	1.1
211.11255	1.5
211.13147	6.1
213.12686	2.0
215.10622	1.7
217.12184	1.6
223.14899	1.2
224.57689	0.8
229.12254	1.3
231.13745	9.1
238.80492	0.7
243.13744	2.3
263.17987	0.8
267.15869	1.2
269.17612	1.3
323.19949	1.0
325.21457	1.1
351.23184	0.8
369.24161	1.1
433.27261	1.5
435.29181	0.8
443.25757	1.8
454.86996	0.8
461.26563	4.0
461.32516	2.6
479.27881	100.0
480.28198	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.5
53.47536	1.9
55.01860	5.8
55.05508	32.3
57.03435	12.7
57.07057	2.7
57.28956	1.4
65.03938	4.2
67.05500	80.5
69.03426	5.1
69.07060	25.3
69.11710	1.7
69.88261	4.2
69.88676	5.4
70.06633	1.5
71.04991	10.8
79.05489	67.1
81.03414	50.5
81.07050	100.0
83.04971	18.7
83.08613	31.6
85.02901	25.8
85.06535	5.5
90.44054	1.6
91.05474	56.2
93.07035	75.0
93.07629	3.6
94.55509	1.6
95.04958	30.0
95.08601	30.5
97.02830	2.2
97.06525	14.3
97.10169	5.1
99.08078	2.1
103.26418	1.9
104.20479	1.8
105.04549	1.9
105.07022	35.5
105.07677	3.1
107.04931	8.1
107.08586	40.7
109.06507	6.2
109.10150	8.4
111.04467	3.4
111.08081	17.1
113.05969	2.9
117.07010	14.1
119.08579	22.4
121.06527	3.7
121.10135	24.2
122.72900	1.7
123.08076	6.4
123.11691	3.9
125.09659	2.7
128.06335	1.8
129.07025	11.8
131.08556	23.4
133.06520	3.3
133.10133	23.3
135.08038	3.8
135.11710	8.4
137.05949	3.7
137.96370	1.9
142.07825	3.4
143.08551	2.9
145.10086	4.3
147.08034	3.8
147.11670	15.5
149.09624	5.7
149.13252	29.5
155.08484	1.9
157.10126	12.3
159.11679	11.4
165.12772	3.8
167.08592	2.2
167.14288	2.0
169.10173	2.4
171.11710	1.9
175.11182	15.8
177.12727	5.6
193.12228	50.5
195.13829	12.7
205.10129	1.9
207.11530	2.0
211.13257	50.0
249.15022	2.4
267.15952	5.0
269.17484	6.9
351.23227	2.7
369.24353	6.9
387.25247	6.5
413.79358	1.8
421.61011	1.7
440.22162	1.8
443.27728	2.9
461.28964	13.0
479.30020	90.9
480.30347	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	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
55.01861	5.2
55.05256	2.0
55.05503	27.6
56.31186	1.7
57.03430	14.8
57.07048	2.0
57.89682	1.8
61.25117	1.4
65.03922	4.6
67.05495	76.1
69.03410	4.6
69.07056	27.3
70.73587	2.5
71.04974	7.6
76.45475	1.5
79.05483	58.1
81.03409	44.4
81.07047	100.0
83.04964	17.0
83.08610	28.4
85.02895	25.4
85.06530	6.2
91.05470	55.2
91.05908	1.2
93.07031	73.9
93.07622	3.8
95.04954	40.9
95.08591	35.8
97.02885	4.0
97.06509	14.5
97.10159	5.1
99.08066	3.9
103.05462	2.0
105.07024	37.3
107.04940	7.2
107.08580	36.7
107.87679	1.5
107.96629	1.5
109.06503	10.9
109.10135	8.4
111.04398	3.2
111.08073	14.3
113.06015	2.2
113.09672	2.0
115.05408	2.5
115.08168	1.4
117.07006	10.7
117.07716	2.0
119.08568	17.9
120.08984	1.6
121.06491	6.2
121.10130	27.7
123.08073	4.9
123.11687	5.2
125.09632	3.5
128.06213	2.0
129.06993	10.1
131.08560	22.0
133.06441	3.7
133.10103	15.1
135.08020	4.8
135.11684	9.3
137.06046	1.8
137.09595	3.3
141.07022	1.6
142.07745	3.8
143.08519	2.2
145.10100	6.3
147.08049	4.0
147.11681	17.0
149.09659	5.7
149.13246	32.2
151.11104	1.8
151.92201	1.8
154.67168	1.6
155.08464	2.0
157.10117	16.2
159.11690	15.4
163.11125	2.9
165.12762	3.2
167.06854	1.8
171.11710	2.9
173.13281	2.8
175.11145	15.9
177.12711	6.9
183.11710	2.9
185.09633	3.4
187.11211	2.0
193.12219	57.5
194.12567	2.1
195.13791	10.9
211.13258	60.0
219.13808	2.3
267.15784	7.9
269.17545	4.2
311.18793	1.6
343.22687	4.8
361.23828	2.7
369.24237	7.3
384.38846	1.8
387.25204	7.0
417.26270	2.5
435.27371	2.5
443.27231	2.5
461.27771	5.0
461.32791	5.1
479.29913	86.6
480.30423	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	479.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.0
55.01854	5.1
55.05502	26.3
57.03424	14.2
59.04994	2.6
61.02912	2.6
65.03916	3.1
67.05491	65.6
69.03418	4.6
69.06780	2.4
69.07058	26.0
70.66956	5.2
71.04964	9.0
76.23647	2.6
79.05479	56.8
79.89819	1.9
81.03406	46.6
81.07042	100.0
83.04965	21.2
83.08598	32.7
85.02887	24.9
85.06513	5.9
91.05465	52.4
93.06458	4.3
93.07027	67.8
95.04948	36.8
95.08589	37.7
97.02889	3.3
97.06507	12.9
97.10133	7.5
99.08067	2.6
105.07009	39.3
107.04926	7.4
107.08573	35.8
109.06492	23.6
109.10137	12.2
111.04427	6.0
111.08065	17.9
113.05988	3.6
115.05418	3.1
117.06993	14.3
119.08562	24.8
121.06477	5.2
121.10113	19.9
123.08044	4.0
123.11667	7.3
125.09628	2.6
129.05911	1.6
129.06985	10.5
130.62273	1.9
131.08559	18.6
133.06438	3.7
133.10118	25.7
135.07979	2.2
135.11681	11.8
137.05952	5.1
137.09627	2.4
141.06874	2.2
142.07736	4.3
143.08519	5.6
145.10094	6.4
147.08020	5.2
147.11656	18.6
149.09615	6.6
149.13232	23.7
155.06981	9.2
155.08476	4.7
157.10068	16.3
159.11713	15.5
163.11151	2.3
169.10054	4.8
171.11678	3.7
175.11130	11.0
177.12747	6.2
183.08035	2.5
183.11684	3.7
185.13173	2.1
188.29120	2.1
188.33829	1.9
193.12209	58.8
195.11835	4.2
195.13765	14.4
197.13184	3.7
199.14616	2.9
201.12685	2.6
211.13245	62.6
217.12283	2.6
219.13818	2.7
223.14809	2.5
225.12723	2.8
241.19458	2.9
243.13766	3.9
247.14705	1.9
250.16504	2.4
265.13074	2.1
267.09070	2.3
267.15948	5.4
269.17493	5.0
277.19318	2.4
285.09995	5.6
323.19763	2.7
324.11331	2.8
325.21582	4.5
343.22726	4.8
369.24344	3.3
370.90640	2.1
387.24945	5.8
415.26315	3.3
461.27991	9.2
479.29816	93.5
480.29745	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	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01857	6.3
55.05504	33.3
57.03442	9.4
57.03675	1.8
57.07063	3.0
57.79271	1.9
63.73788	1.9
63.93791	1.8
65.03919	6.1
67.05499	76.0
69.03419	7.3
69.06712	2.7
69.07060	29.6
71.04993	9.9
79.05051	3.5
79.05486	61.2
81.02966	3.1
81.03412	39.3
81.07050	100.0
82.07360	2.5
83.04970	14.0
83.08611	27.6
85.02895	16.7
85.06519	7.7
91.05473	51.3
92.05810	2.6
93.07040	58.4
95.04962	34.0
95.08601	40.6
96.08924	3.0
97.02870	3.4
97.06513	13.9
97.10146	11.1
98.20696	4.0
99.08040	2.3
103.05510	2.1
105.07027	37.0
107.04925	8.2
107.08583	36.3
109.06512	13.2
109.10142	21.2
111.08060	14.2
111.11668	1.9
113.05998	2.3
115.05498	2.6
117.06992	13.9
119.08567	23.8
121.06544	9.7
121.07265	1.7
121.10122	22.4
123.08042	7.8
123.11702	8.6
125.09633	6.3
128.06212	3.0
129.06981	11.4
131.08563	22.3
133.06470	2.4
133.10118	24.0
135.08028	4.1
135.11720	10.0
137.05994	3.7
137.13187	2.0
139.03804	1.9
139.07518	5.0
139.11172	2.9
142.07616	2.2
143.08554	5.7
145.06454	2.1
145.10120	8.0
147.08028	6.0
147.11678	16.4
149.05946	5.5
149.09625	9.4
149.13239	20.7
151.07520	5.5
151.11197	3.1
153.05431	3.5
155.08626	2.2
157.10136	12.7
159.11707	13.0
161.09558	3.8
163.11215	2.6
165.05499	2.8
165.09158	2.4
165.12764	3.6
167.07033	38.0
169.10146	2.1
171.11758	3.7
172.66374	2.0
173.09587	2.0
175.11176	13.4
177.12746	6.6
181.04951	3.6
183.11835	1.9
185.09544	2.1
187.11194	2.5
189.09052	3.1
189.11162	2.7
193.12230	35.5
195.06560	9.8
195.13750	9.8
207.10182	3.1
209.08072	4.4
211.13275	37.1
213.12697	2.3
223.09607	7.3
227.12831	2.9
231.13838	2.8
233.15329	3.4
234.15739	2.1
237.11226	5.3
249.11099	2.9
265.21884	2.4
267.15906	7.8
269.17450	5.4
293.17316	2.2
343.22827	2.4
351.23154	3.5
361.23825	2.4
369.23984	10.3
387.25250	11.8
401.96396	2.0
405.26471	3.9
417.26495	3.1
432.17450	2.2
443.31613	41.6
461.28693	11.3
461.33524	5.4
479.29782	71.7
480.30267	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	479.3362
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
51.64007	0.8
52.82050	0.9
53.03939	1.6
53.63609	0.8
55.05502	6.2
57.07064	3.7
57.45407	0.9
59.04987	1.1
62.43401	0.9
66.02470	0.8
67.05499	10.1
67.56324	0.9
69.03395	1.1
69.07068	9.1
69.44833	6.9
71.04986	5.7
79.05468	6.1
81.03419	1.7
81.07045	23.1
83.04964	2.7
83.08604	4.9
85.06511	1.3
91.05472	6.0
93.07025	14.8
95.04967	2.4
95.08047	1.6
95.08598	20.8
97.06503	1.8
97.10159	2.7
105.07046	4.5
107.08593	8.3
109.06507	2.8
109.09462	1.3
109.10144	13.4
111.04444	1.4
111.08048	1.5
119.08547	3.4
121.06494	3.0
121.10147	5.7
123.08069	1.8
123.11682	7.1
127.11166	2.5
131.08525	1.9
133.10118	3.3
135.08057	2.9
135.11699	8.4
137.05977	6.3
137.09587	1.2
137.13229	3.4
139.07527	4.0
141.05420	4.3
145.10086	2.3
147.08034	1.4
147.11649	2.2
149.02333	1.8
149.05939	3.5
149.13240	5.6
151.07513	11.9
151.14830	1.4
153.05449	2.6
153.12689	4.2
157.10066	1.3
159.08008	1.2
159.11655	1.7
161.05972	1.6
161.09554	1.2
161.13240	1.2
163.14761	1.9
165.05453	10.3
165.09056	1.9
167.07018	100.0
168.07317	2.1
171.52156	0.9
173.09615	1.2
173.13255	1.1
175.07620	2.7
177.09071	2.6
177.16403	2.6
179.10663	1.5
181.08571	3.4
187.11165	1.7
189.09111	3.4
191.07011	1.8
191.10677	1.5
191.17918	1.3
193.04962	1.2
193.08589	2.9
193.12209	1.7
194.05312	1.0
203.10617	2.5
203.17949	1.3
205.08614	5.2
205.12135	1.0
207.10172	7.9
211.13194	2.2
215.10669	3.2
217.12082	1.2
219.10036	2.1
221.11681	2.2
229.12242	1.3
233.11684	3.0
247.13179	1.4
259.50391	0.9
263.93326	0.9
272.67990	1.0
277.25308	1.4
293.35376	1.0
299.13950	1.0
347.25964	1.4
352.00885	1.0
357.24124	4.3
373.27759	1.6
375.25348	7.2
409.93103	1.0
423.71042	1.1
425.30496	7.1
443.25586	1.0
443.31516	17.1
444.32324	1.5
479.28506	4.8
479.35477	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.5
51.87017	0.5
51.92530	0.5
52.10322	0.4
53.03927	1.3
53.25336	0.6
55.01856	0.9
55.05254	0.6
55.05506	10.6
57.03417	1.9
57.03675	0.5
57.07077	2.8
59.72242	0.5
65.03918	0.9
66.31764	0.5
67.05495	15.5
68.05814	0.4
69.03412	1.0
69.06708	0.7
69.07063	12.4
70.63040	0.9
70.63420	1.5
71.04995	1.1
77.22801	0.5
79.05484	10.6
81.03417	5.2
81.07047	30.9
83.01311	0.7
83.04971	2.4
83.08607	5.9
85.02888	2.1
85.06554	2.7
91.05461	7.8
93.07032	8.8
95.01315	1.5
95.04954	5.7
95.08597	17.0
95.09213	0.8
97.06502	1.5
97.10139	2.6
99.00801	5.7
99.04435	2.0
99.08112	0.9
105.07013	4.9
107.04951	1.2
107.08570	4.8
109.06459	1.1
109.10137	5.9
111.04395	0.8
111.08060	1.8
113.02328	1.2
117.01823	0.8
117.07001	2.0
119.08582	2.7
121.10109	2.5
123.08153	0.6
123.11684	2.4
125.05972	0.9
128.47868	0.5
129.06976	1.0
131.08571	2.6
133.06480	1.4
133.10146	2.5
135.04417	0.9
135.08070	1.4
135.11688	1.7
137.05960	1.3
137.13225	1.6
143.08499	0.6
145.10158	0.9
147.08026	0.7
147.11681	1.9
149.05959	2.1
149.09598	1.4
149.13208	2.7
151.07526	0.8
153.05409	2.7
157.10097	1.6
159.11681	2.0
161.09599	0.6
163.03932	1.1
163.07544	1.5
165.12767	0.8
167.07033	1.3
171.11755	0.8
175.07547	2.3
175.11180	1.7
177.05429	4.7
177.09108	1.2
177.12756	0.9
181.04932	10.6
183.06482	2.7
189.09073	8.4
191.06956	1.4
191.10800	0.5
193.12241	5.4
195.04700	1.1
195.06506	22.3
195.13683	1.2
203.10631	1.6
203.18121	0.5
205.08548	0.9
205.12256	0.7
207.06525	2.2
209.08089	9.4
211.13266	4.3
217.12357	0.6
221.08075	1.5
223.09613	11.7
235.09694	1.7
237.11195	13.5
249.11214	8.8
251.12723	5.0
263.12772	2.3
265.14343	1.4
267.15863	1.1
269.17444	0.8
277.14264	0.9
279.16006	1.0
291.15829	0.8
293.17462	1.8
305.17416	0.7
307.19101	4.3
319.19070	2.2
333.20694	0.8
333.87714	0.5
361.23758	0.6
369.24429	0.7
387.25201	1.4
399.32526	0.7
443.31696	5.3
444.31985	0.9
461.32599	100.0
462.33023	6.1
479.29483	4.1
479.33981	4.4
480.30484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3361
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03933	0.9
55.05507	10.4
57.07067	2.0
58.44871	0.6
61.85635	0.7
65.12856	0.6
67.05496	10.6
69.07065	10.7
69.45212	2.1
69.45639	4.1
71.13440	0.7
79.05485	6.1
81.03415	1.7
81.07046	19.9
83.01322	1.9
83.08610	2.5
85.06529	1.3
91.05472	2.7
93.07048	3.6
94.15015	0.6
95.01309	1.5
95.04925	1.3
95.08588	15.5
96.08965	0.6
97.06521	0.9
97.10184	1.5
99.00805	6.4
99.04444	1.7
105.07011	1.5
107.08572	1.7
109.02829	0.7
109.06518	1.5
109.10136	5.2
111.11696	1.1
113.02344	1.5
117.01847	0.8
117.07007	1.1
119.08508	0.7
121.10138	0.9
123.11713	2.5
125.05990	1.4
130.67365	0.6
131.08521	1.7
133.06520	1.3
135.08006	1.2
137.05972	1.2
137.13211	1.5
138.10893	0.7
145.10104	0.8
149.06013	1.1
149.09586	1.1
149.13280	1.0
151.07545	0.9
153.05475	2.3
155.07076	0.8
159.11685	0.8
161.05956	1.3
161.09644	0.8
163.03926	1.1
163.07507	2.0
175.07507	1.9
177.05447	5.2
177.09085	1.6
181.04941	9.8
183.06512	3.2
189.09087	10.8
191.07018	1.3
191.10559	0.9
193.12199	1.0
195.06485	22.1
195.08197	1.5
195.26894	0.8
203.10715	2.3
205.08607	0.9
207.06570	2.3
209.08063	9.5
211.13284	0.8
219.10312	0.8
221.08029	1.4
223.09621	15.3
231.10284	0.7
235.09645	1.2
237.11168	14.6
249.11212	8.6
251.12607	4.3
258.88596	0.7
263.12769	2.4
265.14499	1.7
277.14377	1.5
279.15854	1.4
291.15985	0.9
293.17361	1.7
305.17554	1.3
307.18982	2.9
319.19006	2.0
361.23569	1.0
377.26508	0.8
443.31534	6.5
461.32562	100.0
462.32797	6.1
479.27515	1.5
479.33749	26.7
480.33948	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	479.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01850	1.2
55.05263	1.2
55.05509	18.4
57.03423	1.8
57.07056	3.7
61.95319	0.8
62.23427	0.8
65.03925	0.9
67.05501	24.3
69.03413	1.4
69.07065	28.4
70.58721	0.8
70.59080	2.6
71.01327	0.9
71.04976	1.6
71.08628	1.4
79.05484	14.5
80.05830	1.0
81.03414	6.5
81.07053	57.5
83.01329	1.9
83.04981	4.0
83.08610	11.8
85.02895	2.5
85.06530	1.9
86.56100	0.9
91.05480	8.5
92.05829	0.9
93.07034	12.6
95.01331	1.7
95.04973	5.3
95.08603	35.4
97.06536	1.8
97.10160	4.3
99.00819	9.8
99.04434	4.5
105.07024	7.4
107.04969	2.2
107.08577	6.6
109.02843	0.9
109.06512	1.8
109.10151	15.0
111.08054	2.3
111.11713	1.3
113.02360	1.8
117.01865	2.0
117.07027	3.2
119.08559	4.0
121.06531	1.4
121.10107	3.9
123.04412	1.1
123.11684	8.9
125.05978	1.3
125.09692	1.3
129.07022	1.7
131.08530	5.0
133.06467	1.5
133.10112	4.1
135.08058	2.2
135.11719	1.9
137.05968	2.7
137.09584	0.9
137.13252	4.1
139.07526	0.9
143.08546	2.8
145.06490	1.2
145.10159	1.4
147.08061	1.3
147.11679	2.4
148.64944	0.8
149.05975	2.7
149.09596	1.9
149.13240	2.8
151.07552	2.2
153.05469	4.3
155.07076	1.5
157.10089	2.8
159.11665	1.9
161.05981	2.0
161.09691	1.0
163.03870	1.9
163.07536	3.1
163.11220	1.2
165.09187	0.9
167.07068	2.6
169.10199	0.9
171.08093	1.9
175.07465	3.9
175.11153	2.4
177.05457	7.6
177.09108	3.0
177.63550	0.8
179.10599	0.8
181.04945	18.3
182.05629	0.7
183.06532	6.8
189.09087	18.3
190.09465	0.9
191.07045	2.4
191.10713	1.0
193.12242	7.1
195.06517	42.9
195.13724	2.1
196.06868	1.2
197.13492	0.9
203.10654	3.2
205.08566	2.0
207.06448	2.0
209.08067	18.7
211.13234	5.7
217.12294	1.6
221.08092	1.6
223.09639	26.3
235.09619	3.5
237.11192	30.1
249.11200	16.6
251.12743	8.4
263.12692	5.5
265.14377	2.8
277.14328	2.6
279.16080	1.1
291.15842	2.5
293.17471	3.9
305.17499	2.2
307.19110	7.5
317.17502	2.7
319.19025	5.5
333.20731	2.4
347.22223	2.3
359.22318	1.0
361.23676	1.8
375.25360	2.5
387.25137	3.1
399.31097	0.8
443.31567	79.6
444.31735	4.6
461.32642	100.0
462.32953	5.7
479.34293	32.5
480.34668	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	479.3361
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
51.63294	1.5
51.76220	1.6
53.03936	5.0
55.01851	5.0
55.05503	25.5
56.96550	5.5
57.03431	7.6
57.07064	5.0
61.02906	2.2
65.03934	2.9
66.68697	1.4
67.05497	48.6
69.03412	6.3
69.06715	1.9
69.07063	29.0
69.89734	9.1
71.04975	6.9
71.08608	1.6
72.54899	1.3
73.02955	2.0
75.92370	1.4
79.05483	33.7
81.03407	21.1
81.07047	72.9
82.07381	1.8
82.81814	1.4
83.01315	2.1
83.04989	10.4
83.08618	18.1
85.02888	11.1
85.06519	6.1
90.00374	2.0
91.03941	2.4
91.05472	28.1
93.07032	32.2
95.01315	2.9
95.04956	15.5
95.08594	34.9
95.70320	1.5
97.02845	4.2
97.06535	8.4
97.10160	7.0
99.00800	12.5
99.04436	4.5
101.02307	1.9
105.07021	20.7
107.04935	4.7
107.08588	20.0
109.02877	2.7
109.06497	5.8
109.10147	13.2
111.04393	2.6
111.08054	5.5
113.02356	4.5
117.01861	2.9
117.06996	8.3
119.08555	14.7
121.06467	5.0
121.10131	14.8
123.04368	2.0
123.08041	3.5
123.11698	10.0
125.05995	1.9
125.09628	4.0
127.03907	1.9
128.06175	2.2
129.06981	5.9
131.08566	12.7
133.06461	2.4
133.10127	16.0
135.04352	1.8
135.08063	2.2
135.11684	6.0
137.05933	4.0
137.09506	1.6
137.13211	3.0
139.07533	2.8
142.07703	2.4
143.08540	4.9
145.06462	1.7
145.10112	6.0
147.08051	3.6
147.11656	7.6
149.05949	3.6
149.09586	3.7
149.13245	10.0
153.05444	4.9
155.08493	2.7
157.10088	10.8
159.11690	7.6
161.09563	2.0
163.03862	2.2
163.07513	4.2
167.07007	3.9
169.10030	2.1
171.11618	2.7
175.11157	5.7
177.05453	3.5
177.09109	4.0
177.12665	1.7
181.04948	19.7
183.06480	3.2
183.11732	2.7
185.13226	2.6
187.11282	1.8
189.09065	6.5
189.10950	1.7
191.07002	2.9
191.10629	1.9
193.12213	18.3
195.06500	47.5
195.08206	3.0
195.11823	2.9
195.13774	8.2
196.12286	1.5
197.13232	3.2
203.10637	1.7
209.08049	25.3
209.13225	2.1
211.13257	20.0
215.10733	1.7
217.12267	1.8
219.13812	1.7
223.09618	27.0
223.11618	2.6
223.14725	1.9
229.12311	1.8
231.08968	2.4
231.13756	3.8
235.09567	4.4
237.11197	24.8
243.08791	2.5
249.11191	6.7
251.12752	16.3
265.14288	8.1
267.09064	6.4
267.15866	4.8
269.10483	5.5
269.17661	1.8
279.15912	2.9
285.10010	13.2
291.15784	3.0
293.17413	2.8
305.17282	1.9
307.19061	4.4
316.11823	2.3
324.11475	3.3
325.18286	1.8
347.22104	2.3
351.23016	2.4
361.23712	3.2
363.24796	2.0
369.24023	2.9
387.24976	5.1
431.31464	10.4
433.27615	1.9
443.26193	2.3
443.31644	22.4
461.32721	100.0
462.32889	4.7
479.34348	99.4
480.34265	3.7
481.92099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3363
Annotation	Dolicholide
Peak:m/z	Relative Intensity
52.10086	0.5
53.00290	0.6
53.86916	0.5
55.01867	0.9
55.05503	7.9
57.03423	1.0
57.07067	7.1
67.05495	11.2
69.07060	11.4
70.94457	1.6
71.04983	1.8
73.06547	1.8
76.12437	0.5
79.05477	7.1
81.03416	1.5
81.07050	22.5
82.07414	1.1
83.01337	1.4
83.04981	1.5
83.08598	4.6
85.02885	1.7
85.06535	2.1
91.05477	4.7
93.07029	7.0
93.93102	0.6
95.01331	2.4
95.04961	2.6
95.08598	13.1
96.08930	0.6
97.06533	1.9
97.10162	2.1
99.00806	13.4
99.04404	3.2
99.08085	0.7
105.07025	4.4
107.08584	3.5
108.08937	0.8
109.02910	0.7
109.06544	1.7
109.10148	6.4
111.04475	1.1
111.08060	1.1
113.02348	3.1
115.13199	0.6
117.01862	1.5
117.07036	1.3
119.08575	2.9
120.08820	0.6
121.06478	1.4
121.10108	3.1
123.04458	0.7
123.11680	4.7
125.05977	1.2
131.08586	2.4
133.10139	2.0
135.04410	1.5
135.08055	2.3
135.11702	2.2
137.05997	2.3
137.13293	1.0
139.07594	1.1
145.10126	1.4
147.11717	1.7
149.05977	1.5
149.09642	1.2
149.13252	1.4
151.07532	1.4
151.44580	0.7
153.05441	5.3
155.07019	0.7
157.10147	1.2
159.11737	1.4
161.06041	1.0
163.07494	3.3
163.11198	1.4
165.09186	1.1
165.12859	0.7
167.07066	1.3
175.07526	1.3
175.11172	1.7
177.05513	1.7
177.09097	2.2
177.12828	0.8
179.07056	0.7
181.04941	18.9
181.06485	1.2
183.06583	1.9
189.09052	2.8
191.07034	2.2
191.10622	1.2
193.12268	2.1
195.06514	39.2
203.10661	1.1
205.08591	1.4
205.12335	1.2
206.05980	0.6
207.06480	0.8
209.08073	21.0
211.13324	1.7
219.10178	0.8
223.09612	20.6
227.43311	0.7
235.09599	1.1
237.11182	19.7
238.11638	0.9
249.11067	2.8
251.12750	10.8
263.12643	1.4
265.14294	5.8
267.15887	0.9
277.14258	0.8
279.15988	2.5
293.17557	2.5
307.19162	2.3
319.19296	1.0
321.20691	1.5
361.23776	0.7
375.25064	1.1
377.27014	2.5
387.25107	0.9
389.26804	2.0
405.26227	5.4
443.31610	9.0
461.32632	59.0
462.32663	3.1
479.33755	100.0
480.34116	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	479.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16553	3.5
51.88605	3.5
55.01849	4.0
55.05493	12.2
56.96550	4.2
61.02926	5.3
67.05495	18.7
69.07043	13.6
70.66664	6.3
70.67034	8.6
71.04928	4.9
79.05467	10.8
81.03377	6.5
81.07046	56.1
83.08604	4.3
85.02872	5.0
91.05457	8.9
93.07010	12.0
95.08598	41.4
96.35798	3.8
97.10157	5.0
107.08559	7.6
109.06490	4.3
109.10159	18.4
110.32874	3.9
111.08030	4.5
117.07047	3.7
119.08569	5.1
121.10157	4.3
123.11687	15.1
133.64386	3.6
135.11674	5.9
137.05983	11.6
137.13251	4.2
141.05423	4.0
147.11633	5.1
149.05942	4.4
149.13315	4.4
151.07512	25.0
153.05420	5.0
161.09581	4.3
165.05423	15.7
165.09073	9.0
167.07019	100.0
176.46893	3.6
177.08862	3.9
179.06905	5.3
189.09097	7.6
191.07010	4.3
205.08553	6.2
207.10132	15.0
216.45578	4.0
220.17229	3.5
248.10338	4.2
267.09085	10.0
285.09930	12.9
315.10748	11.3
315.60977	6.5
317.12460	4.7
317.18008	6.0
349.15720	6.8
351.59659	3.9
369.09253	3.9
371.25848	10.1
389.26807	70.4
443.31595	5.0
454.22089	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	479.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
53.31624	0.9
55.01855	1.9
55.05505	9.4
57.03442	2.0
57.07067	4.9
59.71641	0.8
62.39321	0.8
65.03918	2.0
67.01873	2.0
67.05151	1.6
67.05500	23.8
69.03415	1.2
69.07059	11.3
71.04971	1.4
79.05496	11.7
81.03406	3.5
81.07050	34.5
83.04965	3.5
83.08604	6.5
85.02892	3.2
85.06529	16.4
91.05464	9.7
93.07034	24.5
95.04941	4.9
95.08595	27.6
96.08906	1.2
97.06530	2.4
97.10153	3.1
99.08098	2.7
105.07009	8.8
106.07364	0.9
107.08580	15.5
109.06512	2.7
109.10157	11.9
111.04432	1.2
111.08080	2.9
113.06015	1.7
117.06995	1.9
119.04973	1.0
119.08563	5.9
121.06485	1.7
121.10124	8.3
123.08022	2.7
123.11697	8.3
125.09611	1.2
128.06197	1.4
129.06990	2.2
131.08549	3.4
133.06480	1.1
133.10109	3.2
135.08023	2.5
135.11670	8.2
137.05951	5.4
137.13251	2.2
139.07549	4.5
141.05460	4.8
142.07782	1.7
145.10143	2.7
147.08031	2.2
147.11696	3.9
149.05965	3.4
149.09627	1.8
149.13229	7.9
151.07527	7.0
157.06505	1.0
157.10118	2.7
159.08025	2.7
159.11688	3.6
161.09628	1.1
161.13252	1.2
163.14854	2.6
165.05428	6.1
165.09128	2.4
167.07028	100.0
168.07326	1.5
169.10164	1.8
171.11598	1.5
171.85599	0.9
173.13307	1.5
175.07506	2.1
175.11179	3.0
177.09062	1.4
177.16336	1.5
179.10771	1.0
181.08604	2.2
187.11163	1.2
189.09071	2.8
191.06990	1.7
191.17903	1.2
193.08606	1.7
193.10320	0.9
193.12230	3.8
195.11644	1.2
197.09550	1.2
199.11246	1.3
201.09007	1.1
205.08582	3.1
205.12267	0.9
205.19577	1.1
207.10068	6.3
211.11330	1.3
211.13300	4.0
215.10709	2.2
219.10179	2.4
221.11691	1.5
229.27773	1.2
231.13800	1.1
233.11707	2.9
267.15982	2.1
277.25296	0.9
279.13760	1.7
369.23975	1.3
395.25580	0.9
403.28619	1.1
413.30234	1.5
419.21906	1.3
425.30591	5.1
443.26215	1.2
443.31216	4.3
461.26675	6.6
461.32495	1.8
462.26666	1.4
479.28342	11.6
480.29361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
54.25828	3.7
55.01855	15.0
55.05499	10.4
57.03426	26.1
59.04977	5.6
61.02913	8.9
66.91955	3.4
67.05496	22.4
69.03426	37.7
69.07062	65.1
69.75758	17.5
69.76168	10.0
70.06575	7.4
71.01340	4.1
71.04996	5.9
73.02902	34.3
79.05490	13.9
79.53234	3.9
81.03406	12.9
81.07045	51.7
85.02895	68.1
87.04469	6.4
91.05467	12.3
93.07024	12.9
94.07323	4.5
95.04955	6.9
95.08595	20.4
97.02868	44.1
97.10174	5.0
98.20704	4.7
99.04458	4.0
105.07014	8.2
107.04916	3.9
107.08585	13.5
109.02870	4.2
109.06500	9.1
109.10132	15.4
115.03201	5.3
115.03893	27.9
117.06968	5.0
119.04829	3.6
119.08578	9.8
121.06493	6.6
121.10120	6.9
123.10818	5.2
123.11704	100.0
124.04730	3.6
127.03993	18.5
130.08527	4.3
131.04929	5.7
133.04951	29.2
133.10138	9.0
135.11690	6.7
137.05949	7.6
137.09663	4.4
142.08844	3.8
145.04932	21.0
145.09991	4.0
147.04358	5.7
147.11580	6.2
149.13203	3.8
151.03839	5.7
151.07526	8.7
151.11162	57.9
153.01723	5.3
163.05974	5.6
165.09088	4.2
167.07076	5.8
169.12239	8.5
179.24272	5.1
186.13730	4.0
259.07962	5.7
273.03989	5.4
283.15323	6.3
291.51932	4.8
319.04388	9.5
388.24396	4.8
462.28461	11.0
480.29214	6.4
481.11237	18.3
481.28003	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14272	2.7
54.37740	3.0
55.01868	14.6
55.05492	10.3
57.03433	25.8
57.07048	4.0
59.04996	5.7
61.02906	13.0
67.05490	12.2
67.91600	3.1
69.03136	2.9
69.03423	34.6
69.06712	5.1
69.07059	61.9
70.06578	6.2
71.01336	5.0
71.04967	5.4
71.15598	2.7
71.53432	4.3
73.02914	31.8
79.05472	13.2
80.05801	4.3
81.03397	9.1
81.07051	53.2
81.99878	2.8
82.07385	4.3
82.54806	2.9
83.04948	3.7
83.08617	3.4
84.08973	3.0
85.02412	5.0
85.02895	62.0
85.06526	4.2
86.09577	2.8
87.04459	9.3
91.05461	11.0
93.07030	12.5
94.07355	3.0
95.04966	5.8
95.08592	19.3
97.02890	49.1
97.10166	4.3
99.04459	5.1
105.07031	8.8
106.07335	3.5
107.08577	9.2
109.02866	7.4
109.06487	7.9
109.10160	18.6
115.03915	31.9
119.08600	6.3
121.06481	5.5
121.10123	5.5
121.44543	3.2
122.10484	3.3
123.08073	4.3
123.11696	100.0
127.03891	17.9
133.04948	36.0
135.11650	4.0
137.05952	5.7
137.13245	4.6
145.04942	18.0
145.10033	3.9
147.04420	3.9
147.11646	3.5
151.07556	5.5
151.11166	63.4
152.07780	3.1
152.82590	3.3
163.06032	5.1
165.09033	6.6
166.09433	4.0
167.07065	3.4
169.12250	7.3
175.11201	4.9
193.12085	3.0
283.15320	11.0
319.04395	8.3
390.93506	3.2
462.28406	4.6
481.11081	9.8
481.27530	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	480.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05505	1.7
56.05024	1.4
57.03425	0.9
57.07061	0.6
58.06595	1.4
60.08156	16.7
65.42299	0.3
67.05508	2.4
69.07055	1.6
71.07365	6.3
79.05481	1.6
81.03391	0.4
81.06641	0.3
81.07027	2.1
83.04979	0.3
83.08598	1.1
84.99867	0.3
86.09696	46.7
87.10036	0.3
91.05470	0.8
93.07050	2.3
95.04932	0.3
95.08592	2.3
97.06512	1.3
97.10144	0.9
98.98460	3.3
104.10732	100.0
105.07029	0.8
107.08573	1.6
109.10138	1.0
111.08097	0.3
119.08591	0.5
121.06520	0.5
121.10137	1.9
123.11704	0.3
123.47880	0.3
124.99989	28.0
129.05467	0.8
131.08450	0.6
133.10120	0.5
135.11673	0.7
139.74983	0.3
143.00977	0.5
157.10107	0.7
159.11674	0.5
161.09665	0.3
163.01570	0.4
163.03882	2.0
169.10123	0.3
181.02589	0.8
184.07320	87.4
185.07726	0.4
197.13319	0.4
207.06479	2.3
231.08890	0.4
243.13350	0.3
250.42998	0.3
258.11002	1.3
297.24167	1.0
300.28949	0.8
319.04578	0.4
445.27145	0.5
462.29776	8.3
463.28418	1.8
480.30817	24.1
481.30176	1.0
499.95764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	17.6
67.05494	29.0
71.54106	11.9
79.05483	32.5
81.07043	35.7
81.90815	7.4
83.04970	22.5
83.08627	8.1
91.05474	32.5
93.07036	65.4
95.08591	96.8
105.07027	55.1
107.08572	48.0
109.06541	12.0
109.10143	25.7
117.07018	16.3
119.08522	38.5
121.10125	25.2
123.08052	18.1
129.07002	23.2
131.08548	56.7
133.10115	56.4
135.08069	10.8
135.11658	8.8
139.07521	11.7
141.06996	9.9
142.07797	14.5
143.08562	42.9
145.06470	7.7
145.10081	71.2
147.08055	14.2
147.11676	25.0
152.22914	7.1
155.08553	23.9
156.09340	10.8
157.10083	38.7
159.08043	23.1
159.11688	44.4
161.09601	16.9
168.09294	16.8
169.10120	27.3
170.10922	8.9
171.11714	23.8
172.08849	9.8
173.09616	32.4
173.13269	30.5
183.11667	32.3
185.09607	14.1
185.13220	53.6
187.11139	20.9
187.14851	24.6
191.10703	11.5
193.10184	9.8
195.11732	13.1
197.13171	22.2
199.11218	8.6
199.14726	9.8
201.12733	31.8
203.14388	15.2
207.11629	12.7
209.13303	12.1
211.11090	14.4
213.12730	29.2
215.14368	42.2
221.13388	11.0
225.12852	9.3
229.12216	65.1
229.15767	13.9
231.13745	27.2
243.13817	63.4
245.15404	10.2
255.17191	8.7
277.19583	9.2
279.21075	10.9
298.67044	9.6
305.19098	33.4
323.20007	53.7
349.21512	20.4
417.28104	40.0
427.26282	32.2
435.28983	9.9
445.27423	85.3
463.28439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0973
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
55.01855	0.8
57.03429	0.5
61.02918	6.8
68.99785	1.5
69.03403	1.5
70.06580	1.7
71.04984	0.5
71.53836	0.4
73.02916	1.7
79.05476	0.4
81.03399	0.9
81.07032	0.3
85.02894	6.8
86.09708	0.3
91.03934	3.3
91.05442	0.9
93.85451	0.3
97.02879	3.2
98.66599	0.3
98.97549	0.7
99.04408	0.4
105.03398	0.3
105.07013	0.4
108.85906	0.3
109.02869	1.6
111.00793	1.8
111.04411	0.4
115.03885	0.4
119.08543	0.8
120.08058	0.4
121.02819	0.6
123.04426	0.5
127.03894	1.5
130.04985	0.3
131.21359	0.3
132.25851	0.3
137.02344	2.2
139.03915	0.4
145.04982	0.6
147.04385	0.8
147.11641	0.5
149.05978	0.4
153.01805	11.0
157.07635	0.5
158.64677	0.3
163.03877	0.7
165.01831	2.9
166.02489	0.4
169.01288	1.5
171.04347	0.7
177.05443	1.3
179.03383	1.2
181.01259	0.6
183.02872	1.0
189.05443	0.7
195.02910	0.7
199.03909	0.9
203.03365	0.7
207.02922	0.6
215.03223	0.3
217.04951	2.8
219.09840	0.3
227.03453	0.7
229.04929	0.4
230.05258	0.4
231.02908	0.5
233.04486	0.4
237.02837	0.4
243.02750	0.4
245.04442	4.7
255.02879	0.9
263.05444	0.9
269.04230	0.4
273.03906	3.9
276.52017	0.3
283.02301	0.5
283.10620	0.7
287.05591	0.4
290.04150	0.9
297.03964	0.7
301.03436	2.0
301.11783	1.3
315.05093	0.5
318.03848	0.4
319.04446	100.0
320.04703	2.4
329.02859	1.8
331.04370	3.5
343.04349	1.8
357.05835	0.6
361.05557	3.0
366.14529	0.4
371.03833	0.4
373.05283	0.4
377.62817	0.3
385.05478	3.6
397.05652	0.6
409.05344	0.4
427.06650	0.8
445.07419	0.8
463.08923	0.7
481.09552	1.0
481.17908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.5
61.02919	6.7
65.03918	0.4
67.09505	0.4
68.99786	1.5
69.03413	1.9
71.44550	0.5
71.44899	0.9
73.02899	1.8
81.03392	1.0
83.45708	0.5
85.02895	7.0
91.03933	2.8
96.81635	0.5
97.02882	3.3
99.04481	0.5
107.03167	0.5
109.02858	1.3
111.00788	1.9
111.04411	0.5
127.03924	1.6
137.02298	2.5
137.41666	0.5
147.42606	0.4
153.01811	12.7
163.03879	0.6
165.01820	4.2
179.03384	1.8
183.02890	1.0
189.05461	1.3
195.02878	1.2
217.04919	3.9
219.03064	0.5
227.03308	0.6
231.02847	0.7
235.02356	0.5
245.04425	4.9
246.04758	0.5
255.02934	0.8
263.05411	0.8
273.03915	5.6
280.87308	0.5
290.04178	1.2
301.03381	1.8
301.11719	0.5
315.05255	0.6
319.04453	100.0
320.04636	2.8
329.03094	0.8
331.04459	2.4
343.04404	1.3
361.05487	2.1
385.05444	2.2
410.85782	0.5
463.08691	0.7
481.08777	1.0
481.15060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0969
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.61553	0.4
57.03422	0.4
61.02920	6.7
68.99777	1.3
69.03405	1.4
69.17684	0.5
69.17867	0.7
69.18278	4.1
69.18510	0.8
73.02890	1.5
85.02894	6.2
85.81281	0.4
91.03934	3.6
93.88457	0.4
97.02889	3.2
98.20795	0.9
109.02839	1.4
111.00818	2.2
116.57574	0.5
127.03892	1.1
137.02361	2.2
145.04958	0.9
145.53336	0.4
153.01805	11.6
153.05362	0.4
165.01804	3.4
166.02556	0.6
179.03380	1.5
183.02863	1.3
189.05534	0.6
191.58777	0.4
195.02888	0.7
199.03802	0.5
203.03368	0.5
217.04970	3.7
218.57436	0.5
221.04601	0.5
229.04959	0.5
245.04417	5.3
263.05502	1.0
273.03900	5.8
290.04169	1.3
301.03409	1.5
319.04443	100.0
320.04681	2.0
331.04437	0.6
385.05457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.097
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
59.12220	0.5
61.02918	4.1
61.94654	0.5
68.99781	0.8
69.03418	0.7
69.33655	4.6
69.34063	0.8
73.02897	0.7
81.03428	0.6
85.02890	4.2
91.03924	3.2
97.02884	2.7
98.20760	1.0
98.31927	0.6
123.04400	0.6
124.89112	0.6
127.03931	0.7
137.02327	9.9
138.70930	0.6
153.01817	2.9
169.01297	2.6
171.04401	0.8
181.01285	1.0
199.03839	1.8
217.04939	1.9
227.03313	1.0
245.04459	2.7
255.02943	0.8
273.03879	7.8
301.03412	8.7
302.49994	0.5
303.04922	0.7
319.04449	100.0
320.04761	2.3
335.17786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2946
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03947	3.9
55.01864	10.2
55.05502	19.7
57.07064	5.4
59.04971	4.3
65.03899	4.7
67.05496	51.7
69.03386	6.0
69.07059	18.1
71.04986	8.8
71.27719	8.1
71.28098	7.3
73.74854	3.6
79.05482	40.9
81.03419	9.3
81.07053	62.6
82.07349	4.4
83.04966	22.7
83.08614	8.2
85.02903	6.6
85.06506	4.7
90.32252	3.8
91.05471	40.0
91.13678	3.4
93.07028	64.5
94.07341	4.8
95.04946	12.1
95.08595	100.0
96.08923	9.4
97.06519	12.9
103.05466	4.3
105.07013	59.1
107.04926	4.7
107.08588	55.4
109.06488	17.7
109.10146	32.4
111.04442	13.1
111.08077	17.6
113.06022	4.3
115.05454	9.2
117.07004	18.8
119.08570	50.9
121.06513	18.4
121.10133	32.0
122.10442	3.6
123.08037	21.0
123.11732	9.1
125.09605	5.1
128.06227	9.5
129.07007	17.1
130.93208	3.4
131.08548	55.4
132.88193	4.2
133.06505	11.0
133.10129	39.3
135.08044	18.8
135.11696	19.8
137.05991	6.0
137.09587	10.6
141.06923	5.2
142.07735	13.6
143.08572	36.1
145.06436	11.7
145.10110	57.3
147.08031	18.5
147.11670	24.9
149.09598	15.9
149.13274	10.9
154.07831	5.9
155.08508	25.6
156.09309	9.8
157.06541	7.1
157.10126	35.3
158.10440	6.1
159.08070	27.9
159.11676	41.6
160.12160	4.5
161.09595	14.5
161.13251	13.4
163.07564	5.9
163.11183	7.8
165.06932	6.5
167.07115	4.6
167.08571	16.6
168.09317	5.7
169.10117	25.4
170.10953	6.7
171.08015	13.4
171.11667	24.5
172.08768	5.2
173.06010	4.8
173.09645	21.1
173.13322	22.4
175.07491	4.2
175.11195	20.6
175.14769	7.1
177.09042	5.9
179.08517	4.7
181.10104	12.2
182.10776	5.2
182.93242	4.0
183.08070	9.7
183.11690	28.8
185.09579	19.8
185.13263	22.6
186.10310	5.6
187.07512	5.6
187.11148	15.5
187.14789	16.1
189.09151	6.4
189.12729	15.6
193.10139	10.7
193.12256	6.1
195.11731	15.1
197.09587	7.7
197.13249	14.1
198.10449	4.4
199.11162	14.5
199.14775	11.5
201.12775	31.6
203.14349	8.3
207.11661	12.0
209.09560	6.0
209.13202	14.1
211.11131	16.5
211.14893	12.3
213.12709	11.7
213.16374	4.6
215.14226	23.9
217.10167	4.4
217.12230	8.8
219.11771	5.6
219.13756	7.4
221.13269	12.8
221.15407	6.2
222.07181	4.6
223.14738	6.2
225.12688	11.6
227.10583	5.6
227.14293	8.8
229.12180	12.8
229.15852	7.9
231.13773	9.7
233.15364	5.3
234.13737	6.5
235.14772	8.8
237.16483	6.3
239.14214	6.4
241.16084	5.2
243.13771	13.7
245.15315	11.3
247.13171	7.8
249.12590	5.2
249.16434	5.6
251.14288	6.5
253.15802	6.4
255.13696	5.9
257.15253	9.8
263.18033	7.1
267.17557	5.7
277.15884	6.1
277.19211	5.1
279.17401	5.7
279.20987	5.1
281.18857	8.3
295.16852	4.4
295.20071	5.1
305.18686	5.4
323.20020	17.5
341.21191	5.3
349.21756	6.2
403.26416	5.3
417.27765	12.2
421.27307	83.2
427.26218	16.4
435.29080	14.0
437.29919	9.5
445.27148	38.0
463.28308	72.4
481.29462	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2941
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
54.59218	6.3
55.05503	12.5
67.05503	38.1
68.48830	6.2
69.07060	10.7
69.13956	6.0
75.89764	7.0
79.05476	16.1
81.07050	39.9
83.04967	12.4
83.44642	6.6
88.68599	6.6
91.05454	24.5
93.07035	46.2
95.04919	12.1
95.08595	100.0
97.06512	9.3
104.63596	7.6
105.07011	27.4
107.08566	26.1
109.06518	14.2
109.10112	21.2
111.08061	22.3
117.06996	16.7
119.08575	40.5
121.06473	11.4
121.10122	25.2
123.08037	19.3
129.06990	10.9
131.08527	23.2
133.06439	8.5
133.10150	38.8
135.08044	11.0
135.11620	11.6
137.09581	10.5
141.06923	8.6
142.07742	10.3
143.08533	27.7
145.10121	43.4
147.08046	10.3
147.11644	16.9
149.09590	11.7
149.13246	8.7
155.08524	16.0
157.10159	38.8
159.07976	10.0
159.11676	38.8
161.09584	12.1
161.13222	8.9
165.06895	7.9
167.08459	11.3
169.10074	10.5
171.08012	15.1
171.11664	27.3
173.05949	9.6
173.09633	11.0
173.13274	13.0
175.11235	9.8
176.25157	7.9
178.07718	7.7
179.08504	15.3
180.04060	8.1
180.09210	7.3
180.59888	7.7
181.10098	9.0
182.10765	7.2
183.08020	16.9
183.11646	24.3
184.07304	9.9
185.09515	11.2
185.13206	15.1
187.11099	15.6
189.12708	11.1
193.10049	13.6
195.11708	11.5
197.09634	10.0
197.13191	7.8
199.07471	8.9
199.11044	8.9
201.12701	12.8
207.11652	13.5
209.09599	10.8
209.13261	11.5
211.14804	14.6
213.12659	18.7
215.14288	15.9
221.09605	7.4
221.13390	13.1
223.11145	10.4
223.14748	13.7
225.12599	13.2
225.16278	10.3
227.14284	14.5
229.87321	12.5
231.11679	10.9
231.13875	9.1
233.09549	8.2
233.13210	10.6
235.14825	9.6
239.10683	10.6
239.14337	18.7
257.15381	14.5
261.33197	8.5
263.14249	17.0
263.17752	8.2
267.13611	13.4
267.17239	7.8
277.11978	8.5
277.19382	7.8
281.15356	8.6
285.18500	9.1
305.18817	8.1
323.19824	12.1
403.22827	8.9
407.22134	14.1
417.27881	30.6
427.26196	21.7
435.28891	34.2
445.27380	42.3
463.28485	91.3
481.29312	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2942
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
55.05496	7.4
67.05484	15.6
69.07066	5.3
70.98747	12.3
79.05467	7.0
81.07029	13.6
83.04975	21.4
85.06567	4.4
86.41633	3.8
91.05468	13.0
93.07027	34.8
95.04951	7.4
95.08597	50.4
105.07028	22.8
107.08600	24.0
109.06516	5.6
109.10123	8.1
111.04432	11.4
111.08056	11.6
117.07029	8.1
119.08571	21.4
121.06483	7.9
121.10139	9.8
123.08028	7.5
128.06166	9.3
129.07001	9.1
131.08553	14.4
131.29456	4.2
133.10085	25.4
135.07985	6.4
135.11717	9.4
139.07507	5.9
141.07002	7.4
142.07762	10.0
143.08516	12.8
144.05823	4.0
145.06496	7.0
145.10094	18.9
147.08061	6.1
147.11655	14.2
149.09610	15.2
153.07013	4.4
155.08540	16.0
156.09271	7.7
157.10107	27.5
159.04370	10.7
159.08044	10.9
159.11676	39.0
161.09567	15.5
168.09290	7.0
169.10143	25.7
170.10895	8.1
171.08112	9.7
171.11633	18.7
173.05975	11.4
173.09512	7.1
173.13283	8.0
179.08630	8.2
181.10078	8.2
182.10835	5.3
183.08035	5.3
183.11670	23.9
185.09615	9.2
185.13235	23.1
187.07492	7.3
187.11143	12.6
187.14742	8.9
189.12750	5.7
195.11705	8.6
197.09570	8.8
197.13260	18.1
199.11224	8.1
206.66698	4.2
207.11690	5.4
209.09735	4.7
209.13281	6.4
211.11169	24.7
211.14568	4.5
213.12740	11.6
215.10664	11.9
215.14345	10.1
217.12207	6.7
221.13206	9.5
225.12573	8.2
229.12198	18.2
231.13754	13.5
231.66772	4.8
233.15413	9.3
243.13799	9.1
249.12611	6.8
263.14081	4.9
267.13751	5.5
296.25003	5.1
305.18762	6.2
316.56927	4.8
323.19992	7.9
417.27750	19.9
419.29782	5.8
445.27219	20.9
463.28439	100.0
463.34906	6.1
481.29410	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	481.2946
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03947	6.6
55.05489	19.8
56.80499	4.4
57.03421	4.7
67.05502	54.1
69.03385	7.4
69.07045	21.5
71.04978	6.1
71.53405	8.2
74.05529	5.0
79.05483	49.2
81.03400	7.4
81.07047	79.4
82.07378	4.9
83.04967	17.1
83.08611	10.2
85.02919	6.2
85.06519	6.4
86.09676	9.3
91.05477	41.1
93.07036	66.2
94.07363	4.8
95.04943	17.5
95.07982	5.5
95.08591	100.0
96.08885	5.8
97.06522	18.7
105.07022	45.5
107.04956	8.0
107.08582	47.1
109.06496	14.4
109.10157	36.2
111.04406	10.1
111.08040	10.6
115.05425	7.4
117.06979	13.3
119.08556	44.7
121.06456	17.7
121.10110	27.7
123.08019	21.7
123.11680	16.8
125.05975	34.2
128.06177	5.9
129.06970	16.8
131.08533	29.5
133.10083	39.2
135.08058	17.2
135.11668	16.4
137.09598	10.0
139.07573	12.8
141.06996	9.6
141.09082	13.0
142.07744	10.5
143.08525	34.5
145.06403	5.3
145.10080	35.1
147.08014	16.2
147.11650	20.5
149.13239	12.9
151.07498	6.0
151.11142	5.3
153.06995	7.8
155.08539	18.9
156.09274	8.1
157.10115	38.1
159.08081	14.0
159.11682	43.5
161.09573	14.6
161.13258	12.1
165.07004	10.5
166.07709	8.1
167.07065	31.1
167.08337	10.6
168.07411	27.9
169.07678	9.2
169.10068	25.9
170.10930	6.1
171.08058	11.9
171.11667	32.4
173.09549	7.1
173.13269	11.6
175.11183	8.1
179.08482	13.5
181.10062	15.5
183.08054	5.8
183.11629	17.2
184.07333	30.8
185.07747	6.4
185.09621	10.9
185.13245	18.3
187.11169	12.3
187.14801	10.6
189.09076	9.7
189.12735	16.4
193.10088	14.2
193.12230	6.3
195.11685	19.2
195.13527	5.4
197.13213	20.6
199.11136	9.3
199.14839	5.6
201.09032	6.2
201.12680	7.5
203.10524	6.4
203.14288	6.7
207.11684	14.4
209.13158	22.2
211.11166	8.9
211.14827	7.3
213.12694	12.5
213.16408	4.9
215.10585	5.9
215.14258	7.7
219.11707	5.9
219.13786	5.2
221.13214	14.2
223.11328	7.2
223.14832	12.2
225.09026	6.9
225.12703	8.2
227.14265	6.3
231.11571	5.4
231.13809	7.3
232.12321	5.8
235.11099	6.8
235.14764	12.0
237.12753	8.0
237.16336	9.6
239.14308	9.5
241.12250	7.8
243.13719	14.6
255.13765	6.9
259.17041	8.2
261.14777	8.4
263.14063	8.2
263.17960	7.2
265.15668	5.4
269.15399	7.4
277.19498	9.4
279.17358	5.7
279.20990	8.8
281.15320	17.0
295.20483	5.3
305.18781	10.2
309.18338	5.1
319.04419	14.7
323.19995	18.0
341.21255	6.7
349.21500	8.0
417.28061	24.8
421.27344	7.1
427.26266	18.2
435.28839	18.8
445.27249	28.8
463.28345	78.0
481.29364	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2945
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
51.02366	0.8
51.44004	0.7
55.05507	4.8
64.81127	0.7
67.05174	1.0
67.05500	14.1
69.07075	3.9
69.32913	3.8
69.33343	3.9
70.29111	0.9
71.05005	1.5
71.73682	0.8
72.62542	0.8
73.58064	0.7
79.05488	6.1
81.07043	8.7
83.04974	5.4
83.08620	0.9
91.05462	7.8
93.06464	1.1
93.07033	16.3
95.04937	2.5
95.08598	26.6
97.06513	0.9
105.07021	10.7
107.08591	14.5
109.06480	2.2
109.10149	7.9
111.04435	2.3
111.08060	6.9
113.05954	0.9
117.06996	3.3
119.08566	10.1
121.06462	2.2
121.10149	6.0
123.08046	4.0
125.09578	1.7
128.06161	2.7
129.06960	3.6
131.08537	7.0
133.10121	7.6
135.08043	2.9
135.11662	3.6
137.09598	1.3
139.07532	4.7
141.06955	2.0
141.09041	1.4
142.07738	4.0
143.07626	0.9
143.08572	10.0
144.09349	1.5
145.10103	8.8
147.08015	1.9
147.11650	2.5
149.13210	1.0
153.06931	1.8
154.07719	2.2
155.08539	7.0
156.09337	4.3
157.10114	17.8
158.10837	1.4
159.08104	1.2
159.11676	10.0
161.09589	4.5
161.13329	1.3
163.03894	1.5
163.11125	1.4
165.06955	1.4
167.08536	3.4
168.09323	3.1
169.08723	1.2
169.10110	17.9
170.10826	3.0
171.11647	8.3
172.12329	1.2
173.13199	3.0
175.11139	1.7
175.14734	1.3
178.07932	1.0
179.08546	3.8
179.10620	1.7
181.10114	7.4
182.10863	2.4
183.11690	12.8
184.12315	1.0
185.13261	6.2
187.11142	1.7
187.14771	1.6
189.12648	1.6
193.10117	6.3
194.10881	3.3
195.11679	9.8
196.12383	2.6
197.13248	7.6
199.14803	2.4
201.12711	1.7
203.10606	3.2
205.10147	1.2
205.12184	1.1
206.10893	2.6
207.06602	1.3
207.11682	8.8
208.06827	1.2
208.12352	6.0
209.13213	8.9
210.13904	1.4
211.14774	6.1
213.12502	0.8
213.16391	1.2
215.10686	1.1
215.14363	1.0
217.12177	2.5
219.11679	2.1
220.12535	1.8
221.13240	8.9
222.13875	2.4
223.14781	15.4
224.15160	0.9
225.12666	0.9
225.16321	1.8
233.13225	2.3
234.14035	1.1
235.14771	6.3
236.15475	1.1
237.16405	5.2
239.17833	3.1
241.12167	2.2
243.13780	2.1
247.14771	2.4
249.16348	3.9
251.17891	1.7
253.12177	1.2
255.13708	2.9
257.15286	3.6
261.16400	2.6
262.17050	1.3
263.17838	3.5
267.13748	8.5
268.14310	1.2
269.15344	11.0
275.17987	1.5
277.19431	7.5
279.17490	1.1
279.20682	1.1
281.15298	2.4
283.16928	5.8
285.18457	2.7
289.19516	1.7
295.16895	3.6
297.18411	3.1
299.19907	1.2
303.20715	1.6
305.18927	2.0
307.16846	2.8
309.18536	3.8
318.23331	1.3
321.18283	1.1
323.19974	14.8
324.20798	1.4
325.21567	1.5
335.20071	1.1
341.21207	1.7
349.21594	8.5
364.24023	5.5
391.26321	1.0
399.26675	3.4
417.22321	1.4
417.27896	26.4
418.28094	0.9
419.29413	3.0
427.26129	2.3
434.02591	0.9
435.28818	10.5
437.26703	4.3
445.27295	12.7
463.28400	100.0
464.28595	4.2
481.29327	34.8
482.29828	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	481.2943
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
55.01858	9.2
55.05507	13.2
55.91857	5.7
67.05483	26.8
69.07061	10.8
79.05466	24.2
81.07043	42.5
83.04953	22.6
91.05465	34.5
93.07036	47.8
95.04929	9.0
95.08595	100.0
97.06528	7.1
105.07020	34.5
107.08568	41.8
109.06471	7.3
109.10088	15.2
111.04463	15.0
111.08088	17.4
117.06968	10.2
119.05042	6.5
119.08583	68.0
121.06504	8.2
121.10113	20.0
123.08078	15.5
125.05952	7.5
129.07002	22.9
131.08571	34.7
133.10129	42.7
135.08047	12.2
135.11665	11.9
139.07533	10.1
141.07025	6.9
142.07765	17.3
143.08524	35.2
144.09293	7.9
145.10104	45.4
147.08057	22.6
147.11655	18.2
149.09612	7.8
155.08549	28.1
156.09259	7.2
157.10143	39.6
159.08052	12.6
159.11676	41.4
161.09583	21.9
161.13228	21.3
165.07010	13.9
167.08498	14.8
169.10150	32.9
170.10818	8.1
171.08029	7.7
171.11678	36.1
173.09601	8.1
173.13188	15.4
179.08580	9.9
181.10065	14.4
183.08012	16.9
183.11667	26.0
185.09593	18.6
185.13213	27.0
187.11093	16.0
187.14771	15.0
189.12766	31.8
193.10120	14.1
195.11710	16.6
197.09491	10.5
197.13213	17.9
199.11224	18.7
201.09013	10.5
203.14229	6.8
205.10080	9.0
206.11012	7.1
207.11667	19.6
207.13780	6.4
211.14748	8.3
213.12689	15.7
215.10532	8.3
215.14238	15.7
219.11687	9.8
221.13257	21.7
223.14749	30.2
227.14377	7.7
229.12212	9.6
229.15900	8.1
235.14827	16.6
237.16319	9.0
239.14272	11.2
241.15691	6.9
243.13814	27.8
249.12727	9.6
251.17995	8.8
257.15311	14.1
259.16870	16.1
261.14801	11.1
263.14279	15.1
267.13763	11.8
269.15219	8.8
277.19598	13.4
279.20969	15.2
281.15338	10.3
287.17761	8.7
295.16769	10.7
297.18549	7.7
305.18893	12.8
318.23438	6.7
323.20087	32.0
364.23599	9.5
417.27686	32.0
427.26505	21.9
435.28821	21.2
445.27405	42.5
463.28421	93.9
481.29291	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2944
Annotation	Triptohypol B
Peak:m/z	Relative Intensity
53.03929	4.6
55.01856	5.2
55.05507	13.1
57.03403	2.2
57.07049	2.5
58.64407	2.0
65.03915	3.5
67.05157	3.9
67.05494	42.8
69.03407	4.3
69.07063	17.0
70.67316	7.2
77.06107	2.5
79.05485	20.6
81.07046	35.1
83.04965	7.6
83.08607	4.1
83.79591	2.0
91.05474	24.0
93.07040	48.7
95.04964	18.0
95.08595	100.0
97.02927	2.8
97.06508	5.9
105.07017	30.8
107.04938	11.4
107.08580	34.5
109.06504	13.9
109.10145	28.2
111.04433	5.4
111.08073	18.2
114.25174	2.5
117.06985	9.9
119.04941	2.3
119.08560	26.5
121.06488	10.2
121.10128	22.5
123.08050	17.9
123.11716	5.0
128.06210	4.8
129.06985	11.1
130.07751	2.4
131.04919	3.3
131.08548	20.5
133.06464	26.8
133.10132	20.5
135.08049	10.1
135.11673	7.8
137.09604	10.0
139.07535	7.7
141.06985	7.4
141.09102	7.3
142.07758	4.9
143.08545	14.2
145.06444	15.4
145.10101	26.6
147.08029	67.4
147.11655	13.6
149.09602	25.3
149.13316	3.1
155.08510	8.2
155.40016	2.3
156.09349	3.1
157.06467	7.4
157.10123	14.9
158.07297	4.1
159.08046	35.2
159.11679	21.2
161.05913	3.8
161.09604	11.3
161.13272	5.6
163.11128	6.8
165.06996	7.5
167.08533	6.8
168.09364	3.2
169.06485	3.6
169.10085	11.4
170.07182	2.6
170.10794	3.6
171.08034	13.9
171.11693	14.2
173.05989	11.7
173.09584	13.7
173.13248	10.4
175.11160	24.1
175.14789	2.7
177.09113	3.4
177.12567	2.7
178.07782	2.7
179.08534	4.1
179.10683	2.6
181.06436	4.2
181.10036	12.0
182.10858	4.1
183.08057	6.7
183.11702	10.8
185.05983	4.1
185.09642	15.0
185.13278	13.4
187.07491	5.7
187.11159	19.6
187.14818	4.5
189.12727	59.7
191.08548	2.3
191.14256	2.9
193.10146	4.7
195.08029	6.2
195.11671	7.7
196.08846	4.2
197.09601	9.6
197.13280	9.3
199.07529	6.5
199.11174	11.3
199.14784	5.5
201.09109	2.5
201.12723	22.6
203.10695	3.5
203.14384	3.1
205.10164	3.1
207.08064	2.5
207.11690	6.7
209.09526	6.4
209.13260	7.2
211.07579	3.9
211.11150	8.4
211.14862	7.1
213.09056	8.4
213.12720	8.4
213.16414	3.3
215.10692	11.1
215.14290	9.6
217.15875	2.4
221.13269	4.5
223.11229	5.5
223.14816	5.4
225.09158	4.1
225.12746	5.2
227.14262	11.8
229.12225	5.9
229.15782	3.2
231.13757	5.1
235.11319	3.1
235.14867	5.3
235.16948	3.4
237.12698	5.4
239.10742	3.8
239.14250	9.4
241.12138	5.5
241.15788	3.5
243.13808	7.0
243.17459	6.0
253.12262	2.9
253.15892	2.8
255.13768	9.2
257.18988	7.4
259.13315	8.5
261.12930	3.0
263.17859	3.7
265.12210	2.6
265.15805	3.8
267.13736	6.5
269.18896	2.5
273.14813	16.1
277.15936	3.1
279.17383	3.5
281.15433	4.8
285.14795	13.5
290.16864	2.4
295.16992	3.3
305.19037	2.9
321.18274	3.4
323.19983	7.3
327.19641	4.5
339.19449	5.3
341.21097	32.8
351.23022	3.1
353.21005	2.9
367.22702	12.2
381.24634	3.4
397.27438	2.7
417.27765	7.6
427.26151	8.4
427.31879	2.7
435.28931	10.9
442.39581	2.4
445.27255	19.6
463.28381	46.0
481.29465	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	481.2943
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03940	3.4
55.05490	14.3
57.03417	3.8
59.04972	3.5
66.34486	3.2
67.05497	39.0
69.03410	4.1
69.07054	10.7
69.26568	13.9
69.27001	20.4
70.03559	2.9
79.05472	17.3
81.07051	35.4
83.00438	3.0
83.04981	4.9
83.08596	5.8
86.09708	5.2
88.54110	3.1
91.05482	29.9
93.07031	49.9
95.04949	14.1
95.08593	83.9
96.68279	3.2
97.06519	6.3
97.10149	5.2
104.10706	7.2
105.07016	32.9
107.08582	40.5
109.06504	10.6
109.10143	27.2
111.04417	5.7
111.08066	12.1
117.06978	9.0
119.08542	21.3
121.06488	9.8
121.10132	28.8
123.08051	17.3
123.11658	9.1
124.99928	3.6
125.05966	5.0
125.09595	4.9
128.06207	3.9
129.06992	9.8
131.04919	8.0
131.08531	27.0
133.06483	6.2
133.10097	20.3
135.07991	6.3
135.11703	8.7
137.09593	6.2
139.07529	8.1
141.06947	6.6
141.09065	8.3
142.07777	9.3
143.08543	26.0
144.09320	7.5
145.06488	5.5
145.10089	22.7
147.11659	8.5
149.09613	5.2
149.13235	11.0
151.07495	4.1
153.06903	5.5
155.08549	14.6
156.09242	6.5
157.10080	30.1
159.08008	9.2
159.11646	31.3
161.09586	7.7
161.13269	7.4
162.37726	3.0
163.07373	3.6
163.56096	3.2
165.07054	7.0
167.08513	8.8
168.09315	4.9
169.10129	23.6
170.10854	4.7
171.11655	16.5
173.09607	7.3
173.13226	7.6
175.11104	4.5
177.09128	3.6
177.12729	6.3
179.07144	4.0
179.08583	11.2
180.09315	7.5
181.10133	18.8
182.10822	4.5
183.11696	19.7
184.07294	7.1
185.09557	3.9
185.13211	11.9
191.08488	4.8
192.09383	11.1
193.10106	13.1
194.10954	8.6
195.11667	15.3
196.12511	6.3
197.13187	7.9
199.11107	6.3
199.14796	3.8
201.09140	3.8
201.12799	6.0
203.10672	3.2
205.10139	5.7
206.10931	12.5
207.11690	20.1
208.12439	7.3
209.09647	4.8
209.13266	15.9
211.11162	5.8
211.14769	6.1
213.09045	4.0
213.12711	5.8
215.10736	3.4
215.14230	5.6
219.11697	5.8
220.12411	10.7
221.13280	24.6
223.14767	14.5
227.14334	9.4
229.12231	5.9
233.13248	4.7
235.14825	23.0
235.16841	5.2
237.12672	4.4
237.16341	4.2
241.12164	7.2
249.12572	4.6
249.16313	4.7
253.12248	12.1
255.13707	13.1
257.15399	4.2
263.14273	10.6
267.13763	21.0
269.15317	17.3
273.14813	12.9
277.19437	6.9
279.13882	4.1
281.15353	41.8
285.14777	3.6
295.16882	9.6
307.16815	4.8
321.18289	10.5
322.19254	16.9
323.20084	19.1
340.20117	4.4
341.21039	6.4
347.20084	4.0
399.26776	9.3
417.27820	21.6
426.09305	3.5
427.26114	14.2
445.27347	42.2
463.22183	6.4
463.28357	100.0
481.29358	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2944
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
52.36032	3.8
53.03926	6.2
55.01865	8.2
55.05502	18.1
59.69891	3.7
67.05508	36.7
69.07061	14.0
70.82713	12.5
71.05000	3.8
79.05492	26.1
81.07053	39.8
83.04964	13.0
83.08589	8.2
91.05471	35.3
93.07040	69.8
95.04953	15.0
95.08595	81.7
97.06512	9.8
99.04401	4.5
104.58212	3.7
105.07022	42.7
107.04942	6.2
107.08576	48.0
109.06522	6.3
109.10143	29.9
111.04415	6.9
111.08083	16.3
115.05321	3.9
117.06994	17.6
119.08572	44.2
121.06498	11.7
121.10124	31.1
123.08030	20.6
123.11721	7.5
128.06210	8.5
129.06981	14.4
131.08557	30.3
133.06479	12.0
133.10091	31.0
135.08058	10.7
135.11658	15.4
137.09599	10.6
139.07570	6.6
141.06960	6.3
141.09062	7.6
142.07762	7.8
143.08549	28.5
145.06461	18.2
145.10120	40.3
147.08035	26.9
147.11688	19.0
149.09618	14.3
149.13220	5.9
155.08626	18.8
156.09346	13.6
157.06439	4.4
157.10109	26.9
159.08052	19.7
159.11710	34.9
161.09627	15.4
161.13266	13.0
163.11237	6.9
165.07022	5.9
167.08539	12.1
167.10582	4.9
169.10106	18.0
170.10934	6.7
171.08073	15.6
171.11670	16.3
173.05879	5.6
173.09550	21.0
173.13248	16.0
175.11134	15.0
177.09108	5.6
179.08549	7.1
181.10129	12.4
183.07983	8.3
183.11684	19.9
185.09572	20.9
185.13272	15.7
187.07452	4.1
187.11130	25.5
187.14822	10.8
189.12686	18.9
193.10138	8.4
195.11641	14.9
197.09581	12.2
197.13240	12.3
199.07498	4.0
199.11201	12.5
199.14841	5.3
201.12747	18.5
201.16325	4.4
203.10718	8.6
205.10185	5.1
207.11659	10.2
209.09709	6.8
209.13301	8.9
211.11238	11.7
211.14891	7.5
213.09134	6.6
213.12685	10.9
215.14313	13.0
219.13748	8.2
220.12540	4.1
221.09552	4.0
221.13327	7.9
223.11241	9.9
223.14790	8.0
225.09126	5.1
225.12811	9.0
225.16362	7.3
227.14389	20.4
229.12253	14.1
229.15868	4.7
231.13821	6.7
233.13254	7.0
235.11050	6.4
235.14899	5.9
237.12866	5.1
237.16359	7.2
239.14302	8.1
239.17937	5.1
241.12086	7.6
243.13863	6.4
245.15379	13.8
247.13098	6.6
249.12613	4.3
251.14333	5.5
253.15788	5.7
263.14127	6.3
267.13831	5.7
273.14774	7.3
277.19479	4.3
279.17648	5.7
281.19019	6.5
290.16388	4.4
305.19052	9.7
309.18460	7.8
319.28635	4.8
323.20093	14.0
341.21182	14.1
367.22830	4.2
383.25671	4.8
417.27771	11.8
427.26276	15.4
435.28897	12.1
445.27332	31.4
463.28387	84.6
481.29520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2942
Annotation	Triptohypol B
Peak:m/z	Relative Intensity
52.64400	2.0
53.03935	2.2
55.01868	2.0
55.05505	11.4
57.07076	2.5
59.86278	1.9
67.05496	20.4
69.07059	10.9
70.18317	9.1
79.05482	6.1
81.07050	15.3
83.04971	3.9
83.08602	10.5
85.04393	1.9
91.05463	11.3
93.07035	34.8
95.04959	5.7
95.08596	51.1
97.06501	4.0
97.10154	4.3
105.06995	11.4
107.08562	23.0
109.06479	2.3
109.10167	16.7
111.04420	3.0
111.08079	12.0
117.07046	2.6
119.08572	9.8
121.06516	5.6
121.10117	14.5
123.08059	8.4
123.11724	12.6
125.09640	3.6
131.08543	4.9
133.06444	2.2
133.10132	5.5
135.08026	5.3
135.11676	10.4
137.09587	3.2
137.13261	4.0
139.07506	6.6
141.09100	7.2
143.08504	4.9
145.06447	5.1
145.10123	9.5
147.08076	2.6
149.09612	3.4
149.13239	3.0
153.09091	4.6
155.08583	2.2
155.10602	3.1
157.06462	4.6
157.10101	5.6
158.07309	2.3
159.08034	7.1
159.11664	4.6
160.08815	3.6
161.09624	6.2
161.13225	5.0
163.11143	2.0
163.14842	2.2
169.10146	4.1
171.08064	8.2
171.11731	2.6
172.08780	2.8
173.09599	66.2
173.13060	2.4
175.11159	4.4
183.08022	5.5
183.11722	3.0
185.09486	10.1
187.11116	10.1
189.12756	3.3
189.16417	2.4
191.14246	3.3
197.09587	9.8
199.07541	2.8
199.11119	11.5
201.12746	3.0
202.82954	1.9
203.10634	3.3
209.09605	3.8
211.11131	10.6
211.14841	2.6
213.09073	3.3
213.12717	19.7
215.10660	29.5
217.15784	2.7
223.11174	3.2
224.11934	4.0
225.09135	3.0
225.12749	13.0
227.10756	3.3
227.14291	9.1
229.12177	19.5
233.11700	61.3
234.12115	2.9
235.16930	6.8
237.12653	3.6
239.14287	26.6
240.14871	2.5
241.12314	6.0
241.15834	6.0
243.10039	3.2
243.13882	3.8
244.10924	2.7
247.13313	8.5
251.14615	2.5
253.12238	4.0
253.15926	6.2
255.13855	3.5
257.11682	2.6
257.15421	3.0
259.13284	24.6
261.14883	3.1
267.13736	6.8
269.15359	3.7
271.13284	6.9
271.16922	8.4
273.14822	100.0
274.15347	3.7
281.15317	10.1
281.18454	3.4
283.13165	2.6
285.14825	47.4
287.16397	11.3
295.16983	2.8
297.14969	3.1
299.13062	4.2
299.16391	48.1
301.17926	14.0
307.16840	2.3
311.16125	2.9
313.17926	13.9
315.19589	3.5
321.18658	2.6
323.20001	7.0
325.17914	2.8
327.19632	11.5
339.19531	5.5
341.21243	23.4
349.21552	4.0
367.22421	4.1
417.27814	8.4
427.26154	6.1
435.28937	5.0
445.27240	16.6
463.28128	17.0
463.33771	2.5
470.71136	2.0
481.29376	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
55.05500	14.6
59.63639	4.6
67.05491	38.1
69.07060	8.9
70.69098	11.3
70.69459	8.3
73.17104	4.6
75.46858	4.2
79.05472	23.5
81.07043	46.2
83.04967	21.9
85.06534	6.0
91.05456	32.7
93.07037	50.1
95.04979	13.2
95.08589	100.0
97.06514	4.4
97.49581	5.6
99.08099	4.3
102.41154	4.4
105.07018	49.8
107.08579	35.7
109.06500	75.2
109.10140	21.7
111.04426	12.1
111.08050	10.7
115.82114	4.8
117.07016	22.0
119.08589	43.6
121.06499	5.9
121.10129	18.6
127.07582	5.9
128.06219	5.4
129.07011	10.7
131.08562	25.2
133.06462	7.0
133.10127	31.6
135.08044	13.7
135.11684	9.3
137.05959	18.5
139.07480	11.1
140.51102	4.7
141.07004	6.6
142.07762	13.7
143.08528	38.3
145.10123	40.7
147.08025	15.4
147.11668	24.5
149.05917	7.0
155.07039	29.6
155.08469	10.2
156.09340	6.3
157.06474	5.5
157.10083	34.7
159.08020	12.0
159.11688	26.9
161.09602	16.1
161.13234	13.0
165.09190	6.5
167.07042	53.2
167.08455	7.9
169.10129	20.8
170.10870	7.7
171.08072	16.5
171.11655	22.0
173.09579	11.3
173.13292	22.4
175.11156	10.5
179.08617	7.8
181.10089	15.9
183.08020	6.3
183.11691	14.4
185.09625	15.2
185.13206	29.0
187.11191	11.6
187.14807	13.8
193.10100	6.2
195.11670	10.5
197.09651	6.2
197.13298	11.7
199.11179	17.0
199.14804	13.9
201.12791	13.0
203.10675	6.3
209.13319	14.7
211.11177	10.0
211.14862	7.3
213.12781	31.9
215.10756	6.2
215.14352	11.2
217.12291	12.5
219.13795	8.6
221.13336	9.8
223.14815	8.4
225.12683	6.3
227.14267	13.8
231.13786	24.9
233.13284	7.3
235.14960	6.0
245.15358	13.9
281.22784	7.5
291.21124	5.4
305.18900	8.1
307.20523	12.5
309.22092	8.1
325.21609	14.8
327.23160	22.6
332.29877	5.4
417.28061	8.1
427.26093	15.0
435.28961	7.4
445.27191	42.5
463.28366	32.8
481.29510	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2947
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
50.20333	1.9
55.05495	5.7
65.03932	2.3
66.55296	1.5
67.05497	16.4
69.03423	2.0
69.07048	4.4
69.19512	19.5
71.04984	2.9
79.05504	8.7
79.25874	1.5
81.03411	2.3
81.07028	16.5
83.04961	4.5
83.08600	2.7
91.05476	12.2
93.07028	20.4
95.04977	4.4
95.08591	33.2
97.06548	1.8
105.07037	14.1
107.08589	17.5
108.08920	1.8
109.06520	4.2
109.10140	9.2
111.08076	8.5
113.05928	2.1
117.06985	3.5
119.08583	12.9
121.06486	1.6
121.10133	9.0
123.08067	4.0
123.11717	4.0
128.06194	1.8
129.06978	5.9
131.08542	7.3
133.10121	8.0
135.08018	4.1
135.11642	4.7
137.09558	1.8
139.07509	4.4
141.06917	2.5
142.07762	3.2
143.08574	12.4
144.09293	1.8
145.10118	13.4
147.07999	3.2
147.11646	3.8
149.02321	4.8
149.09639	2.1
154.07710	1.7
155.08533	6.3
156.09323	4.6
157.10109	17.5
159.11742	10.2
161.09628	5.6
161.13217	3.3
165.06970	2.4
167.06999	6.0
167.08568	4.4
168.09291	2.4
169.10078	17.2
171.11679	11.8
173.09679	2.5
173.13310	4.4
179.08578	3.5
181.10078	6.2
182.10817	2.0
183.11685	12.5
185.13223	6.6
193.04924	5.6
193.10100	5.4
194.10905	4.2
195.11647	6.7
196.12450	1.8
197.13226	6.9
199.11057	1.7
199.14676	1.8
201.12712	2.1
203.10670	3.3
207.11697	10.0
208.12485	5.0
209.13229	8.6
211.14757	7.3
213.12810	2.4
217.12112	2.6
221.13235	11.7
222.14058	1.7
223.14803	13.7
224.15466	2.0
225.16405	2.5
227.14374	1.9
235.14792	6.1
237.07469	4.0
237.16377	4.5
239.14293	1.8
239.17947	2.5
247.14795	3.6
249.16331	4.2
251.14392	1.9
251.17888	1.6
253.12152	2.0
257.15439	3.3
261.16513	3.3
262.17288	1.7
263.17880	2.3
267.13776	8.3
269.15277	9.6
275.17841	2.4
277.19366	7.6
281.15326	2.5
283.16937	7.2
285.18420	3.5
297.18732	1.8
307.16891	2.1
309.18439	3.7
319.04440	2.4
323.20016	15.7
349.21567	7.3
364.23990	4.0
399.26428	1.9
417.27786	27.7
419.29520	2.2
421.37387	2.0
435.28900	11.0
437.27066	4.7
445.27374	15.0
463.28351	100.0
464.28754	3.3
481.29172	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
53.70871	1.5
55.01858	3.5
55.05512	3.3
55.28674	1.4
57.03430	8.2
61.02908	3.2
65.03934	4.0
67.05497	5.4
68.99784	1.7
69.03060	2.2
69.03423	29.3
69.07051	2.0
69.76080	11.5
71.04993	2.9
72.88177	1.5
73.02882	2.1
75.09315	1.7
79.05492	8.2
81.03402	6.0
81.07044	5.3
83.04970	7.7
85.02908	27.3
86.09701	1.6
87.04481	11.6
91.03965	2.3
91.05478	18.2
93.07046	29.5
95.04951	6.1
95.08601	8.5
97.02888	20.6
97.06538	3.1
97.88710	1.5
98.21384	2.7
99.04434	1.8
101.02297	2.1
105.07004	8.4
107.04945	7.1
107.08594	37.8
109.02859	5.3
109.10157	2.9
111.04411	8.2
115.03923	22.7
117.07027	1.8
119.04947	21.4
119.08550	3.3
121.02873	2.6
121.10179	3.3
123.04435	6.0
123.62033	2.0
127.03914	6.4
129.05415	1.6
129.97903	2.0
131.04924	10.0
133.04947	18.5
133.06468	16.4
135.04443	4.0
135.11687	26.2
137.02339	2.9
137.05962	2.6
138.05615	2.2
139.03912	5.4
145.04883	4.9
145.06410	3.8
147.04401	100.0
149.05989	3.8
152.35863	1.7
153.01787	8.4
153.05426	1.7
153.12746	5.3
157.06549	2.7
159.04407	18.4
161.06012	4.9
163.03952	9.1
164.04216	1.8
165.05536	4.3
165.06952	2.6
177.05460	7.2
183.08107	3.4
189.05458	7.6
191.03371	3.3
195.07988	1.9
197.06047	2.1
201.05484	6.1
211.07509	4.4
213.09251	2.6
218.05042	1.7
219.06496	5.1
221.06026	2.0
223.07698	2.0
224.08189	2.0
239.06944	4.2
245.04381	2.5
253.35147	1.8
257.07996	3.8
267.06503	8.7
267.15939	2.1
285.07672	4.5
303.04962	6.2
303.08575	16.7
313.03702	2.7
319.04440	15.0
320.04797	32.3
321.05075	2.1
321.09482	4.0
359.45877	1.7
372.04190	2.6
470.07416	1.7
483.09125	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
57.03428	5.0
59.04991	3.1
61.02910	1.8
67.05489	1.6
69.03422	15.4
69.07060	2.5
69.97113	7.0
71.04994	13.3
73.06562	3.2
77.65021	1.1
79.05486	3.9
81.03397	4.8
81.07057	14.9
83.08611	1.2
85.02898	12.7
87.04459	12.0
87.87843	1.4
91.05476	3.1
93.07034	10.4
95.04961	3.1
95.08593	2.0
97.02878	17.9
97.06508	1.3
105.07065	1.6
107.08559	8.1
109.10195	2.3
111.08112	1.2
115.03923	19.9
125.72565	1.5
127.03953	1.9
133.04953	25.7
135.11681	18.9
145.04892	3.1
153.12730	100.0
154.13112	1.8
169.04987	1.4
175.11273	1.6
193.12178	4.8
201.80899	1.1
205.12234	1.5
211.13298	3.6
241.06798	1.6
259.08057	1.5
263.11618	1.3
263.59381	1.3
267.16092	1.6
277.09543	1.6
285.16965	9.0
287.84314	1.8
295.10101	1.5
303.04974	1.7
317.06296	1.8
319.07217	1.6
320.07678	2.6
483.09485	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	483.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42036	0.4
55.01846	0.6
58.61559	0.4
64.28326	0.4
65.03938	2.3
67.05503	0.3
68.99789	0.9
69.03415	0.8
69.76440	1.9
81.03413	0.8
85.02855	0.4
91.05465	2.4
91.70958	0.4
93.03395	3.0
93.62874	0.3
95.04907	0.4
107.04909	0.5
109.02859	1.0
111.00758	1.1
111.04433	15.2
111.61029	0.4
117.03379	0.4
119.04903	0.7
120.08086	0.4
121.02873	1.9
123.04425	1.0
127.03905	0.9
130.05011	0.5
135.04352	1.4
137.02332	18.4
137.03365	1.2
137.05945	0.9
139.03888	29.6
145.02815	0.8
147.04408	1.9
149.02309	1.3
149.97781	0.4
151.15324	0.4
153.01807	6.3
159.04312	0.6
161.02313	1.3
161.05934	0.5
163.03899	5.9
165.01814	2.3
166.02554	0.6
173.05974	0.6
177.01768	1.4
177.16977	0.4
179.03352	1.6
181.01326	0.9
181.04922	4.8
183.02878	0.9
183.04338	0.7
183.42371	0.4
185.05797	0.5
187.03883	1.4
189.01730	0.6
191.03381	0.6
199.03871	0.9
201.05428	2.7
203.03349	0.7
205.01260	1.9
207.02850	0.7
211.03831	0.8
213.05348	0.6
215.03419	0.5
217.01338	2.1
219.02985	0.4
227.03349	0.8
229.04959	5.3
231.02872	1.0
241.04881	0.5
245.04474	0.4
247.05891	0.8
251.07404	0.4
253.04916	0.8
255.02869	1.0
255.06523	0.5
257.04364	3.2
265.08658	0.4
269.04398	0.9
273.01184	0.4
273.03790	1.9
274.04697	1.0
281.04340	0.7
285.03854	2.6
285.12097	0.9
287.05450	0.8
299.05435	1.9
302.04233	0.7
303.04959	100.0
304.05240	2.5
315.04932	0.6
321.05011	0.5
325.07071	0.8
327.04926	0.6
329.02847	3.4
329.06567	5.4
331.04269	2.6
335.09314	0.5
347.03976	5.5
355.04434	6.4
367.08133	1.2
373.05566	3.9
377.06375	2.5
405.05841	1.4
423.07083	20.8
424.07407	1.3
447.07120	0.6
449.28485	0.5
465.08142	14.6
483.09155	68.9
484.09503	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	483.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
52.06127	0.3
53.03942	0.6
53.39605	0.2
55.05508	0.9
63.02374	0.5
65.03938	1.5
67.05503	1.8
69.03398	0.6
69.07064	0.7
71.09244	0.6
71.09583	0.3
79.05479	2.0
81.07047	0.9
83.04972	1.3
83.08624	0.3
85.02894	0.7
89.03904	7.7
91.05470	12.7
93.07044	1.0
95.04958	3.6
95.08594	0.9
97.06525	0.4
100.11224	0.3
105.07018	0.8
107.04945	2.7
107.08605	0.8
109.06534	0.3
109.10151	0.6
111.04428	1.2
117.03371	8.2
119.04928	26.0
119.08569	0.6
120.05281	0.4
121.06490	0.3
123.04391	0.7
123.08086	0.3
125.09470	0.3
127.03880	0.4
133.10121	0.6
135.04399	18.1
137.05954	0.5
137.09583	0.4
139.03880	0.7
142.99326	0.2
145.02831	11.7
145.03978	0.6
145.10065	0.5
147.04391	100.0
148.04745	1.2
153.01840	0.4
153.05412	0.4
156.76126	0.3
157.10205	0.4
163.03883	94.3
164.04263	1.1
165.05540	1.5
165.06743	0.3
168.58296	0.3
179.10667	0.4
181.04768	0.4
187.72887	0.3
191.03378	0.6
229.04948	0.5
257.04416	5.7
287.05341	0.6
303.05142	1.1
303.08572	13.2
319.08075	9.1
331.08289	0.3
409.09073	3.2
455.22153	0.3
483.13373	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	483.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26028	0.8
53.03936	1.1
55.01852	2.2
55.05501	2.3
57.03413	2.6
61.01582	0.8
61.02901	0.8
65.03915	2.2
67.05490	2.1
68.99784	1.0
69.03417	7.8
70.03764	1.1
70.06580	1.2
71.04971	2.0
71.21053	1.6
79.05470	1.9
81.03414	4.8
81.07024	1.8
83.04969	9.1
85.02896	10.9
87.04432	1.6
91.04960	1.1
91.05472	13.2
91.34747	0.9
93.07020	3.9
94.07369	1.1
94.46268	0.8
95.01332	1.5
95.04942	3.9
97.02888	5.3
97.06506	1.7
99.04448	1.5
103.05424	1.4
105.07026	6.7
107.04940	7.2
107.08569	3.6
108.08922	1.4
109.02852	3.3
111.04423	5.6
115.03910	2.8
117.03344	1.1
117.06947	1.0
119.04927	22.7
121.02855	3.4
123.04391	2.6
127.03891	3.3
131.04922	6.2
133.04971	1.7
133.06470	20.1
135.04373	2.5
135.11653	2.9
136.12030	1.4
137.02339	0.9
137.05948	1.3
137.06917	0.9
139.03860	4.3
141.07031	0.8
142.46603	0.8
145.02815	1.7
145.06494	4.9
147.04388	100.0
149.05989	2.6
151.03888	1.0
153.01797	2.6
153.06909	1.1
155.08551	1.1
157.06453	2.3
158.03674	1.0
159.04396	19.1
161.06009	6.2
163.03868	8.5
165.05435	2.9
165.06950	4.0
167.08511	1.3
169.06454	1.4
171.08011	1.3
173.05997	2.8
177.05431	3.6
177.06837	2.0
181.04912	1.0
183.08028	3.5
189.05467	5.6
195.07968	3.2
197.05954	1.4
199.07498	1.0
201.05415	6.6
211.07591	4.1
213.09163	1.1
219.06488	6.4
221.05971	1.8
223.07487	2.4
239.06960	7.0
241.08478	1.0
249.05434	2.9
257.07996	1.9
267.06534	6.0
275.09232	1.6
285.07590	6.5
285.12241	1.1
303.04987	3.4
303.08502	21.6
313.03375	2.0
321.04929	2.4
321.09595	3.3
465.13654	1.1
483.09195	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40083	2.4
53.03926	3.0
54.01302	2.6
54.53912	2.5
55.01867	5.2
55.05510	6.5
57.03431	3.6
67.05506	14.5
67.10622	2.5
69.03416	8.6
69.07069	30.4
70.78266	5.9
70.78600	4.2
71.05006	3.7
71.08614	4.6
79.05109	2.3
79.05492	19.6
81.03381	4.1
81.07057	16.6
83.04953	7.1
83.08600	3.4
85.02889	7.9
85.06535	8.9
86.09710	4.4
91.05469	9.9
93.07048	14.7
95.04942	9.8
95.08613	14.0
97.02894	2.9
97.06528	85.3
99.08111	5.6
103.05523	4.0
105.07032	7.8
107.04951	5.3
107.08575	6.9
109.06513	5.7
109.10136	9.7
111.04451	4.5
111.08055	7.5
117.03357	3.1
117.07043	4.7
119.08543	8.9
121.10158	7.2
123.04417	3.9
123.08057	4.8
123.11695	5.2
124.04578	2.7
125.09642	2.8
131.04932	4.5
131.08542	7.6
133.06499	5.2
133.10120	8.0
135.04396	8.8
135.11676	5.7
137.05948	8.3
137.13242	4.2
139.03903	3.3
139.11176	3.4
143.08534	2.9
145.02856	5.9
145.10109	5.0
147.04424	14.6
149.09564	3.5
149.13246	4.2
151.07513	6.2
151.11139	3.3
157.10059	3.1
159.04428	11.5
159.07997	4.6
159.11742	4.1
159.94305	2.5
161.02319	28.1
161.09660	3.8
161.13206	3.2
163.02544	3.5
163.03894	72.9
163.11119	5.7
165.05392	3.9
173.02341	56.5
173.09563	3.4
173.15390	4.4
175.07561	6.3
175.14819	3.9
177.05505	3.2
179.10556	3.4
184.07388	7.4
185.05980	5.2
191.03333	8.8
212.08224	2.9
215.07014	95.2
233.08081	3.9
241.08569	20.1
259.09641	31.3
273.11221	18.5
291.12247	100.0
298.98257	2.5
303.04868	3.5
303.23288	3.3
321.16675	3.1
429.30273	6.1
436.48300	2.9
447.31039	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	483.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.2
67.05507	1.2
67.61596	0.9
71.68602	0.8
85.02896	1.0
94.06532	1.9
96.45795	1.1
97.86005	0.8
98.21508	1.8
107.04985	1.0
122.06017	0.9
139.03850	1.2
146.08351	1.2
147.04393	2.6
160.00249	0.9
163.03877	4.5
169.08900	1.4
170.08353	1.4
171.10484	1.0
181.08878	2.1
181.25757	0.9
182.09737	2.1
183.09151	2.6
184.11288	1.5
185.07124	1.8
194.09607	5.4
195.05481	1.4
195.09081	6.5
196.09914	20.6
197.06851	1.2
197.08910	1.1
197.10646	6.9
198.07771	1.1
199.08679	1.8
205.07597	1.0
206.08371	45.0
209.07126	4.9
209.10750	2.6
210.07837	1.6
210.11496	3.4
211.08698	3.8
211.12268	21.0
212.09274	1.7
213.10165	1.1
219.09305	1.0
220.09935	10.1
221.10692	19.1
223.08607	14.1
224.09425	20.0
224.32654	0.9
225.10233	3.5
226.11008	2.6
227.08112	9.2
227.11781	1.3
237.10237	9.1
238.11008	12.5
239.08292	4.3
239.11761	51.5
240.12109	1.2
241.09749	3.7
252.08968	3.1
254.10550	1.7
255.11221	1.0
257.12820	8.0
267.11255	90.3
268.11633	2.7
272.11539	4.7
285.12308	100.0
286.12506	3.8
303.05429	1.8
303.13367	74.9
304.13748	2.2
321.14359	4.3
428.49127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.7
57.03427	7.2
57.07074	8.9
65.03204	3.5
67.05480	4.4
69.07059	25.8
70.60739	10.8
71.08627	8.1
80.73853	3.2
81.07050	7.1
83.08617	24.1
84.99940	3.8
93.07053	4.2
94.61741	3.2
95.08598	7.6
97.10159	21.1
98.98462	11.3
107.08598	6.3
124.21854	3.5
127.71246	3.5
135.11699	4.2
155.01038	9.0
159.21988	3.7
160.08022	3.5
311.25766	100.0
360.16498	3.3
374.98859	3.3
447.24911	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	483.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87542	2.6
53.03951	3.4
55.01880	4.3
55.05511	17.5
55.82629	2.7
57.03427	2.9
57.07066	4.1
59.04977	3.4
63.99695	2.4
65.03908	3.4
67.05501	32.4
67.19749	2.4
69.03431	3.4
69.07067	17.2
69.21252	2.4
70.13860	9.1
71.05000	5.5
79.05483	19.9
81.07046	33.4
83.04970	14.7
83.08611	7.8
84.29730	2.5
91.05473	28.6
93.07032	51.6
93.07609	3.5
95.04950	16.0
95.08595	100.0
97.06525	7.8
99.04436	6.0
103.05474	2.8
105.07014	51.3
107.04938	3.9
107.08589	51.5
109.06520	7.6
109.10143	30.2
111.04437	3.8
111.08088	19.0
115.05446	4.0
117.07022	13.8
119.08572	58.9
121.06501	21.6
121.10136	29.3
123.08061	22.3
123.11684	9.0
125.06051	2.7
128.06213	3.1
129.07004	9.8
130.07690	2.8
131.08554	32.0
133.06496	9.3
133.10118	46.9
135.08015	12.4
135.11700	18.1
137.09593	8.8
139.07524	10.6
141.06941	4.3
141.09111	7.2
142.07779	8.3
143.08531	25.8
145.06453	6.6
145.10121	44.0
147.08063	22.3
147.11667	26.6
149.09618	14.0
149.13263	8.4
151.11243	4.1
153.08987	4.1
155.08513	13.8
155.10651	2.5
157.10106	33.2
159.08035	23.2
159.11682	35.3
161.09616	19.2
161.13232	33.9
163.07559	4.8
163.11211	6.5
163.14838	7.2
167.08578	6.1
168.09502	2.9
169.10098	17.0
171.08061	10.4
171.11674	23.2
173.09558	13.3
173.13200	16.8
175.07578	4.0
175.11142	16.5
177.09087	4.9
177.12810	5.1
179.08585	4.5
179.10707	5.9
181.08644	2.9
181.10110	7.4
183.08015	4.2
183.11717	15.6
185.09604	11.9
185.13219	19.6
186.10364	3.6
187.11208	17.2
187.14812	13.8
189.09062	4.1
189.12743	11.9
189.16457	3.8
191.10628	5.2
193.10385	2.8
193.12268	4.7
195.10118	8.6
195.11707	9.1
196.12585	3.2
197.09637	5.5
197.13254	10.0
199.11192	11.7
199.14821	11.9
201.09105	6.9
201.12746	11.9
201.16371	3.2
203.10654	3.7
203.14337	8.0
205.12196	5.3
207.11742	4.2
207.13750	5.7
209.13257	9.6
211.11191	6.2
211.14789	7.9
213.12743	11.1
213.16284	4.5
215.10754	4.7
215.14241	15.6
217.12158	6.5
219.10030	4.1
219.13799	8.9
221.11613	5.4
221.13490	3.5
223.11176	4.9
223.14812	7.4
225.16388	3.9
227.10805	3.5
227.14317	9.5
227.17816	3.8
229.15901	7.1
231.13759	8.2
231.17354	3.4
233.15387	9.3
235.16931	3.7
237.12650	3.3
237.16402	6.0
239.14386	5.1
241.15913	9.3
243.13866	7.0
245.15407	7.6
247.17001	5.9
249.14757	4.6
255.17473	4.0
257.15350	10.9
267.17322	2.9
269.15302	6.9
269.18851	3.0
271.17029	5.3
275.16394	21.7
281.15457	3.4
283.16940	7.4
283.20184	4.0
287.16397	7.1
287.20026	5.2
297.18561	3.5
299.20090	5.8
301.18140	2.6
301.21753	4.3
317.20956	3.9
323.20062	4.4
325.21609	11.2
329.21100	3.9
343.22629	25.2
351.23160	5.0
369.24210	10.5
419.29465	12.2
423.28867	5.6
429.27747	11.7
437.30380	8.9
447.29218	18.7
465.29919	38.5
483.31021	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01268	2.2
53.03941	3.8
55.01865	4.1
55.05507	21.8
57.07080	2.8
65.03941	2.3
66.10150	2.4
67.05492	43.9
69.03390	2.6
69.07056	21.2
70.60142	6.6
79.05472	13.4
81.07047	25.4
83.04951	7.2
83.08608	14.8
91.05481	27.4
92.11569	2.3
93.07029	51.5
95.04960	22.0
95.08593	91.5
97.06496	6.5
99.04485	3.5
99.94772	3.0
105.07023	30.3
107.04917	3.9
107.08581	33.9
109.06502	12.3
109.10146	33.0
111.08069	22.6
115.05436	2.3
117.07038	12.3
117.07774	2.3
119.04942	4.4
119.08559	35.0
121.06507	12.5
121.10120	28.0
122.43691	2.4
123.08039	19.9
123.11676	5.6
125.09593	3.7
128.06223	4.5
129.06981	8.8
130.07759	3.6
131.08562	19.9
133.06462	10.8
133.10097	30.3
135.08035	14.8
135.11682	10.7
137.09578	13.2
139.07515	7.2
141.06976	3.4
141.09100	9.3
143.08557	18.6
145.06427	16.0
145.10107	28.3
147.08025	21.2
147.11653	26.7
149.09625	9.4
149.13228	4.7
151.11185	3.5
155.08572	14.4
156.09309	3.0
157.06503	5.1
157.10103	24.7
159.08037	45.9
159.11671	18.1
161.09569	21.3
161.13249	6.9
163.11153	6.4
163.14816	6.0
167.08507	6.1
168.09322	3.6
169.10095	16.2
171.08035	21.7
171.11682	17.8
173.06035	2.8
173.09616	24.6
173.13202	17.1
175.07611	4.0
175.11098	12.2
177.09085	4.0
179.07042	4.3
179.08482	3.5
181.10123	10.1
182.10915	3.2
183.07974	3.7
183.11658	12.3
185.09590	16.9
185.13245	11.2
186.10362	2.5
187.07567	4.1
187.11148	15.2
187.14810	10.1
189.12772	5.8
191.10641	3.6
191.14362	4.0
195.11684	9.2
197.09608	7.6
197.11620	2.8
197.13243	13.0
199.11197	10.9
199.14842	7.0
201.09077	22.4
201.12825	9.9
201.16325	3.7
203.10643	4.0
205.08734	2.7
205.12170	4.9
209.13348	7.6
211.11137	5.1
211.14795	7.2
213.09082	5.3
213.12729	10.5
213.16287	4.5
215.10657	21.6
215.14267	24.2
217.12239	4.6
219.10095	11.4
221.11642	3.1
223.14793	4.4
227.10692	6.2
227.14310	13.2
229.12247	3.3
229.15884	9.7
231.10159	4.9
231.13828	8.5
233.15355	5.6
235.14755	4.2
237.16576	3.2
239.14270	8.6
241.15921	6.2
243.13844	10.8
245.15352	6.0
247.16934	4.1
251.14204	5.3
251.18088	3.0
254.98073	2.6
255.13789	4.9
257.15408	22.3
259.16925	5.3
261.14761	17.8
269.15366	14.4
269.18887	2.3
271.17087	4.7
275.16388	70.2
283.16983	3.4
287.16455	32.2
287.19623	4.5
297.18536	3.1
299.20145	3.2
301.17960	5.9
307.20538	3.7
309.18353	2.9
311.20050	4.3
315.22995	4.3
323.20117	3.9
323.82108	2.9
325.21747	12.0
329.21115	14.8
341.20984	6.7
343.22610	72.6
344.23438	3.4
351.23288	3.6
355.22873	4.5
369.24191	27.0
383.25552	5.5
409.27475	5.4
419.29373	7.6
429.28104	4.4
437.30438	15.5
447.28961	21.7
465.30005	39.4
483.31046	100.0
484.31833	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	484.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01858	4.4
55.05494	1.9
55.47643	1.3
57.03430	8.1
57.03656	1.3
57.07058	3.2
57.25877	1.4
61.02906	5.1
66.22875	1.3
67.05502	7.0
69.03425	10.8
69.07049	5.4
70.03055	5.8
70.03422	3.0
70.06577	4.1
71.04977	5.0
73.02913	8.8
79.05473	9.1
81.03392	2.2
81.07048	100.0
83.04962	2.8
85.02898	30.7
85.03686	2.0
86.09701	2.2
90.11586	1.4
91.03941	2.5
91.05428	2.5
93.07043	7.0
95.08593	41.6
97.02883	14.5
99.04441	2.2
107.04946	1.8
107.08569	3.3
109.02831	2.7
109.10121	2.6
111.04456	2.0
115.03931	7.5
119.04894	2.0
119.08483	1.6
123.04394	4.9
127.03908	7.2
133.04942	11.4
135.11659	2.4
136.07617	1.8
137.13239	60.9
139.03902	3.0
145.04950	10.8
147.04367	7.1
153.01859	3.9
155.10757	1.6
155.14294	3.2
163.03885	3.2
163.05994	7.1
184.07362	3.3
223.05949	2.2
241.06990	1.9
245.54724	1.7
259.08063	3.2
276.11292	1.5
303.04861	6.9
304.05255	4.6
361.04071	4.2
362.04266	3.2
363.03693	2.0
390.41391	1.5
432.17123	1.5
484.09604	7.4
485.19366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.7
56.36021	6.8
57.03431	8.2
57.07063	22.6
67.05485	11.5
69.07047	8.0
70.15865	6.5
71.08613	18.0
71.56964	13.0
81.07026	13.7
85.85882	6.6
91.05480	11.2
93.07052	10.5
95.08594	26.3
105.06985	9.0
107.08559	14.5
121.10126	9.9
133.10144	15.3
145.10086	7.5
150.83336	6.6
226.55632	7.5
313.27298	100.0
321.27682	6.9
456.41824	7.9
485.32214	11.4
489.59445	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57568	2.4
53.03923	2.7
55.01856	3.0
55.05504	15.2
57.07070	4.2
60.20781	2.5
61.45023	2.6
67.05495	37.8
69.03422	3.0
69.07067	13.1
69.41273	9.1
69.41703	15.1
71.04980	3.6
72.96051	2.8
73.02879	2.9
77.60295	2.8
79.05489	24.5
81.03422	3.9
81.07050	47.0
81.45676	2.4
83.04956	7.2
83.08611	4.9
91.04940	4.5
91.05467	37.0
92.22137	2.7
93.07037	45.2
95.04958	10.4
95.08598	100.0
97.06534	6.3
97.10162	2.6
99.04373	3.3
103.05455	3.5
105.07015	39.6
107.08588	55.2
109.06465	7.2
109.10143	69.0
111.04421	5.5
111.08069	10.4
113.05980	5.6
115.05448	3.9
117.07024	21.9
119.08571	41.3
121.06470	9.7
121.10132	39.5
123.08060	16.9
123.11711	14.5
125.09650	4.4
128.06207	6.3
129.07005	17.9
131.04852	3.4
131.08551	34.5
133.06450	6.8
133.10133	42.7
135.07986	6.4
135.11670	20.4
137.05934	3.9
137.09590	6.2
137.13237	4.3
139.07523	5.2
141.06943	5.3
141.09074	7.5
142.07738	5.3
143.08568	25.5
144.09273	2.9
145.06464	6.8
145.10112	45.6
147.08051	9.9
147.11693	27.8
149.09549	6.6
149.13251	9.3
151.07530	3.3
155.08572	12.7
155.56384	2.7
156.09352	5.1
157.06509	4.2
157.10085	26.6
159.08051	10.7
159.11691	32.9
161.05988	5.2
161.09581	15.9
161.13232	10.2
163.07556	6.3
163.11127	6.7
165.09059	7.4
169.10143	13.3
170.36574	2.8
171.08087	6.5
171.11655	21.2
172.08664	2.6
173.09647	20.1
173.13255	18.5
175.07446	4.9
175.11215	13.9
175.14854	15.5
177.09103	6.7
179.10675	4.6
181.10083	7.8
182.10936	3.2
183.10240	2.9
183.11603	13.8
185.09685	6.8
185.13243	11.5
187.11157	12.2
187.14844	11.8
189.09113	14.2
189.12711	8.6
191.10640	8.3
193.10101	2.9
195.11746	7.3
197.13255	9.9
199.11174	7.1
199.14803	12.4
201.12741	11.2
203.10677	4.0
203.14194	5.9
205.12177	4.8
207.11786	6.4
209.13275	5.6
211.11116	4.6
211.14714	5.5
213.12717	6.7
213.16364	9.6
215.14301	11.8
217.12286	6.4
217.15884	4.0
223.14771	4.2
225.12669	3.9
225.16383	4.4
227.14227	4.2
229.12253	3.9
229.15892	6.4
231.13728	3.5
231.17505	2.9
233.15279	7.3
235.16856	5.5
239.18004	6.0
245.15329	6.3
247.17020	3.3
249.16296	5.4
249.18581	6.6
257.15305	3.5
259.16980	3.5
265.15784	4.0
267.17349	10.8
285.18674	3.5
327.19403	3.3
361.25299	5.3
371.23660	4.7
379.26227	10.4
389.24655	23.8
397.27496	4.1
407.25717	32.9
421.30832	10.0
425.26639	6.8
431.29440	6.0
436.27457	2.9
449.31015	5.4
467.31528	9.0
485.32474	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	485.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	13.0
58.06591	2.0
58.07392	2.7
58.69221	1.7
70.06586	12.6
71.08615	4.4
71.20721	4.0
84.94005	1.7
85.10195	2.1
88.07623	14.2
95.08585	3.3
102.09180	10.6
103.09508	2.8
129.17513	1.7
197.24770	1.8
200.20079	13.1
201.20433	8.6
203.01042	39.8
226.25594	1.9
228.23227	11.0
229.23485	8.7
283.26331	11.6
284.26685	12.7
311.29343	8.5
312.29837	15.0
484.47192	13.1
485.23077	3.2
485.30276	95.3
485.47510	100.0
486.30652	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	485.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.8
71.06362	0.7
81.07030	0.8
86.52316	0.6
91.05470	1.3
95.08556	0.9
95.17361	0.6
105.07003	1.2
106.55721	0.6
120.62543	0.6
132.85542	0.8
133.10117	0.9
159.11810	0.7
173.13232	0.8
176.99451	0.8
181.53514	0.8
187.03636	50.4
228.06383	1.2
229.30356	0.7
252.72572	0.9
313.27246	1.8
321.27591	75.1
322.27997	2.0
485.32300	100.0
486.32861	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	485.3258
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.47628	2.9
51.72638	3.1
55.05495	11.5
57.07070	4.0
59.04959	2.8
59.28293	2.3
64.25214	2.7
67.05496	28.0
69.07058	14.0
71.04983	4.5
79.05483	15.4
81.07050	47.9
83.04959	7.6
83.08596	7.3
91.05466	29.3
93.07040	50.3
94.55830	2.7
94.73666	3.2
95.04940	9.9
95.08593	100.0
97.06531	5.8
97.10162	4.4
99.04428	3.2
105.07017	45.9
107.08585	50.0
109.06504	11.8
109.10152	37.7
111.04467	5.0
111.08055	8.4
113.05920	4.0
116.62070	3.1
117.07025	12.4
119.08568	49.7
121.02840	2.8
121.06512	7.5
121.10123	40.1
123.08067	14.9
123.11698	23.1
129.06984	7.8
131.08568	31.1
133.06441	6.2
133.09209	4.1
133.10127	41.3
135.08047	9.3
135.11691	19.4
137.05963	5.7
137.09639	4.7
137.13263	4.3
139.07509	4.8
142.07787	3.3
143.08546	18.5
144.09259	3.1
145.10109	43.9
147.08015	10.1
147.11665	28.4
149.09612	8.6
149.13278	7.9
151.07516	5.7
156.09406	4.3
157.10107	23.7
159.08064	9.4
159.11667	28.2
161.09584	16.0
161.13229	20.2
163.07533	4.5
163.11221	4.0
163.14870	5.5
167.10736	3.3
169.10077	8.7
171.11653	20.2
173.09589	13.9
173.13229	28.7
175.11151	7.8
175.14835	13.5
177.09026	6.4
177.16324	4.1
179.10709	8.6
183.11638	6.9
185.09579	7.6
185.13226	15.7
187.11131	6.4
187.14799	19.4
189.12755	8.3
189.16385	9.2
191.10641	6.1
191.14360	3.2
193.12291	5.4
195.11682	4.4
197.13255	10.4
199.11107	5.5
199.14810	11.0
201.12720	11.2
201.16422	10.1
203.14371	6.9
203.17993	3.8
209.13335	3.2
211.14992	7.3
213.12723	6.1
213.16399	7.2
215.14331	12.5
217.12352	3.8
217.15736	4.0
219.13766	6.8
221.13371	3.2
221.15247	5.7
225.16470	3.8
229.15834	9.7
229.52364	4.2
231.13771	6.5
233.15366	11.2
235.16968	5.1
241.15765	3.9
245.15358	7.0
247.16962	10.5
249.14771	4.5
251.16345	7.1
257.15189	3.5
259.16821	4.1
287.19971	3.5
291.20609	3.1
303.78674	3.6
307.20352	3.7
327.23056	4.0
345.24347	9.2
353.24832	4.7
395.29437	3.2
403.30145	3.8
421.31097	16.6
431.29468	14.6
439.32092	9.0
449.30606	24.8
467.31445	27.6
485.32559	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19457	2.7
50.52266	3.0
53.03921	4.6
53.92239	2.8
55.01851	3.9
55.05500	18.1
57.07072	4.2
59.05013	3.9
63.25072	3.0
67.05502	35.8
69.07052	19.2
69.46131	3.2
71.10883	6.3
71.11234	3.8
79.05476	32.9
81.07043	58.8
83.04981	8.6
83.08608	9.8
87.04453	3.9
88.74335	3.1
91.05463	32.9
93.07035	68.0
93.07618	4.4
95.04971	6.7
95.08592	100.0
97.06503	9.3
97.10137	5.8
101.06017	3.7
105.07014	55.2
107.08580	71.2
109.06523	7.8
109.10148	57.3
111.04399	5.2
111.08060	11.5
117.07035	17.4
119.08567	55.9
121.06486	9.5
121.10127	40.5
123.08039	12.1
123.11693	19.8
128.06227	4.0
129.07004	8.6
131.08549	39.4
133.06479	8.1
133.10107	52.6
135.08064	10.4
135.11700	22.7
137.09557	4.3
137.13219	4.9
139.07530	7.4
141.06985	4.0
142.07780	6.7
143.08530	16.4
144.09406	3.8
145.10101	51.3
147.08047	12.0
147.11647	35.8
149.09625	7.2
149.13205	16.2
151.07515	5.6
151.11136	3.6
155.08548	7.1
156.09303	4.2
157.10095	18.8
159.08018	9.1
159.11678	37.3
161.09648	16.2
161.13266	24.7
163.07506	4.3
163.11067	4.4
163.14804	9.8
165.09035	5.1
169.08672	3.7
169.10056	7.8
171.11655	17.5
173.09599	13.5
173.13252	34.7
175.11194	8.8
175.14772	20.6
177.09038	5.1
177.16380	8.8
179.10663	16.0
183.11737	9.6
185.09683	4.4
185.13255	13.0
187.11179	10.6
187.14766	22.8
189.12718	8.4
189.16405	8.2
191.14169	3.4
195.11612	3.6
197.11598	5.5
197.13237	8.6
199.11212	5.3
199.14838	18.2
201.12674	16.2
201.16342	13.8
203.14270	8.7
203.17805	4.3
205.12196	3.8
205.41562	3.4
207.13606	4.2
211.14816	7.3
213.12778	11.0
213.16391	7.6
215.14354	13.3
215.17972	4.7
217.15996	5.6
219.13756	10.1
225.14690	4.9
227.14281	9.3
227.17995	6.1
229.15877	14.6
233.15289	10.1
235.13367	3.9
235.16991	3.8
237.14755	4.6
241.15897	4.1
241.19644	5.0
245.15404	7.3
247.16901	9.5
249.14894	7.7
251.16417	13.0
263.16217	4.6
265.17966	6.4
281.22467	6.1
345.24139	12.2
371.25568	4.7
385.17859	3.3
395.29666	5.8
403.29874	4.4
421.30917	23.1
427.28992	3.6
431.29349	16.0
439.32098	11.5
449.30228	18.7
467.31323	19.6
485.32541	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	485.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.05510	14.9
56.52648	2.7
57.07061	4.8
62.78094	3.0
67.05493	28.6
69.07054	20.6
79.05483	32.6
81.07051	43.4
83.04967	12.3
83.08598	9.6
91.05000	3.4
91.05476	29.1
93.07033	45.6
95.04945	9.9
95.08597	100.0
97.06506	8.4
97.10146	3.7
98.23351	2.9
99.04397	3.8
105.07024	45.4
107.08582	86.7
109.06535	9.1
109.09449	3.5
109.10153	47.0
111.04417	5.2
111.08107	8.3
113.06007	5.1
115.07579	4.2
117.07000	13.3
119.08562	53.9
121.06470	10.6
121.10118	50.0
123.08026	10.3
123.11694	18.4
125.09583	4.2
129.06952	4.6
130.07793	3.6
131.08566	30.5
133.10112	47.3
135.08023	10.3
135.11671	29.0
137.05956	3.8
137.09563	7.2
137.13211	5.8
139.07472	4.9
142.07784	3.2
143.07190	2.8
143.08536	13.4
145.10104	49.6
147.08003	8.7
147.11665	36.6
149.09595	7.2
149.13240	12.0
151.07506	5.0
155.08588	4.8
155.10674	3.4
157.10115	18.2
159.07994	9.6
159.11673	44.1
161.09618	15.0
161.13263	20.7
163.11197	7.2
163.14772	7.0
165.09059	7.3
169.10069	5.1
171.11652	17.8
172.08864	5.5
172.12476	3.4
173.09590	11.8
173.13249	39.5
175.11162	8.6
175.14778	10.2
177.09059	6.3
177.16353	7.6
179.10658	6.4
181.10025	3.3
183.11685	9.4
185.13234	18.1
187.11153	12.3
187.14755	28.7
189.12730	7.0
189.16364	9.0
191.14270	7.9
193.12308	3.6
195.11714	4.4
197.13171	5.7
199.14780	14.0
201.12717	11.6
201.16335	15.3
203.14368	7.4
205.15887	5.0
209.11722	4.2
211.14787	7.1
213.12717	8.9
213.16415	8.3
215.14351	16.1
215.17946	4.2
217.15709	4.3
219.13763	11.0
221.15414	4.7
223.11446	3.4
225.16306	4.0
227.14343	4.5
227.17816	3.5
228.18481	4.4
229.15887	18.0
233.15347	7.1
237.14796	32.4
239.16336	3.5
241.19528	5.1
245.15309	5.6
247.16939	13.0
251.16362	6.1
266.75159	3.0
274.87640	3.2
281.22614	4.8
287.19977	3.6
314.27216	3.3
327.23108	8.1
345.24118	9.4
395.29434	3.4
397.30704	3.4
403.30081	5.4
405.87238	3.8
421.30893	35.6
439.32236	21.7
449.30219	11.9
467.31567	16.9
485.32523	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	485.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56456	2.6
55.05499	12.3
67.05497	18.8
69.03413	4.0
69.07054	11.3
70.16119	8.3
70.16531	6.1
71.04961	3.4
72.08144	8.8
79.05484	19.5
81.07050	31.2
83.04969	10.7
83.08609	5.5
85.02896	3.9
85.06525	18.1
91.05462	19.0
93.07034	35.4
95.04977	6.9
95.08585	43.7
97.06509	7.2
99.92087	2.7
105.07030	31.0
107.08589	35.2
109.06523	13.3
109.10134	13.2
109.70879	3.2
111.04456	11.8
111.08081	7.7
115.05395	4.6
117.07008	6.5
119.08575	34.0
121.06483	9.1
121.10130	18.2
123.08041	7.7
123.11712	3.3
125.09592	3.4
127.07559	5.4
129.07004	6.7
131.08553	23.5
133.06461	6.4
133.10110	24.2
135.08026	9.0
135.11703	12.4
137.05933	3.1
140.12347	2.4
142.07758	5.7
143.08543	18.3
145.06487	6.0
145.10110	26.2
147.08041	10.7
147.11688	14.9
149.09628	8.4
149.13251	5.0
155.08531	5.4
156.09355	4.5
157.10104	19.3
159.08076	5.7
159.11670	20.7
161.09605	11.0
161.13260	7.9
163.11159	4.5
164.39583	2.9
165.09129	4.3
165.58217	3.6
169.10136	8.5
171.11659	15.4
173.09616	11.7
173.13286	8.7
173.53732	3.0
175.11185	9.2
175.14853	3.4
177.09178	4.8
177.12898	3.1
181.10101	4.6
183.11687	7.0
185.09650	4.5
185.13271	11.2
187.11128	15.1
187.14775	5.9
189.12772	8.0
191.10651	4.1
195.11752	5.1
195.13736	3.3
197.09644	3.8
197.13283	9.5
199.11186	8.0
199.14792	4.4
200.11833	3.4
201.12698	9.1
201.16348	3.3
205.12234	4.5
211.14859	4.1
213.12709	12.5
213.16243	4.0
215.10667	6.6
215.14316	5.8
217.15854	3.0
219.13847	5.1
221.13431	3.9
229.15891	4.7
231.13925	3.9
233.11653	7.9
233.15346	6.9
247.16920	5.8
259.17126	3.5
281.57355	3.3
285.10172	3.3
327.23090	6.0
339.19565	12.2
345.23962	2.8
349.16922	4.0
351.90475	3.2
421.31155	3.6
431.29959	4.0
449.30481	10.4
467.27594	100.0
468.27951	3.9
485.28091	4.1
485.32928	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	486.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76619	4.6
56.96545	5.4
71.54355	6.0
81.92306	4.9
95.52920	4.3
96.11276	5.2
98.97588	21.6
116.98598	25.8
134.99643	16.2
146.92682	5.1
153.00737	6.4
177.00902	7.8
183.08061	4.6
186.72305	5.1
192.98734	6.0
219.01949	8.6
233.96785	10.3
234.99881	20.4
235.99890	6.5
236.99548	12.0
251.97873	6.3
252.97606	9.5
253.97707	7.1
258.99966	26.6
260.00095	5.6
260.99844	13.2
261.03104	12.0
261.99991	8.7
263.02872	6.2
274.97839	32.8
275.00485	7.0
275.97864	37.2
276.97525	38.3
277.00909	44.7
277.97711	21.7
278.01157	20.5
278.97455	7.4
279.00772	17.2
280.00851	10.6
282.30295	5.3
282.99890	30.1
284.00143	30.3
284.99814	23.6
285.99887	15.5
286.99670	8.0
294.98798	11.1
295.98737	6.6
298.97766	18.2
299.97839	15.8
300.97522	25.2
301.01038	58.8
301.97644	18.8
302.01157	68.1
303.00793	61.3
304.01031	34.3
305.00839	9.7
314.20670	5.3
314.95953	5.6
316.98703	41.0
317.98965	34.8
318.98517	49.9
319.98700	42.1
320.98450	10.1
321.01886	5.5
358.99875	18.5
360.99817	7.4
361.99762	10.7
398.98083	7.1
401.01416	7.2
402.01367	8.2
403.00949	13.1
404.00934	17.7
405.00647	6.2
419.00430	5.0
419.98514	14.7
420.96881	7.8
426.01694	9.3
427.01282	5.7
428.00995	17.0
442.70044	5.9
443.00653	9.8
443.98553	41.1
444.02625	32.3
445.02005	15.2
446.02267	44.1
447.01913	9.9
458.99460	7.7
460.99783	9.1
461.99927	100.0
462.99548	14.9
485.01675	9.5
486.01968	38.9
503.98553	6.7
510.63995	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	487.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	21.9
53.65802	14.1
55.05503	74.2
57.07064	17.6
67.05492	66.0
69.03426	48.2
69.07059	100.0
71.04957	18.3
71.53958	24.9
79.05477	51.3
81.03405	51.3
81.07048	88.7
83.08614	48.7
85.02890	92.0
87.00840	38.1
89.06024	20.3
91.05467	35.1
93.07045	68.2
95.04929	26.0
95.08601	91.8
97.02863	38.9
97.06529	27.0
97.10175	24.9
99.04432	17.8
105.01857	20.7
105.07008	56.8
107.08587	93.9
109.02852	35.8
109.06503	14.4
109.10113	80.0
119.08557	52.9
121.10143	66.3
123.08051	41.2
123.11689	42.9
125.13248	22.5
127.03902	47.3
131.08531	43.4
133.10117	61.4
135.08046	24.3
135.11673	62.2
137.09601	31.0
143.08562	25.2
145.05008	14.9
145.10115	44.4
147.11658	20.7
149.09602	27.8
149.13237	53.8
151.11121	19.7
159.02933	19.8
159.11691	25.8
161.13248	21.0
173.13303	20.7
203.17958	43.7
205.19467	17.7
211.06387	16.5
219.13513	14.4
221.18979	99.8
232.42480	17.4
303.59927	16.2
433.31256	24.4
451.31839	50.3
487.30331	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96900	0.4
55.01874	0.6
55.05491	1.4
57.07052	0.5
57.70821	0.4
67.05499	5.5
69.03417	1.7
69.07069	1.8
71.04979	0.7
71.54826	0.7
76.80524	0.3
77.24297	0.3
78.39074	0.4
79.05485	2.4
81.03412	0.6
81.07047	6.9
83.04972	1.9
83.08595	0.6
85.02892	1.4
85.06538	1.7
91.05469	2.8
92.09571	0.3
93.07031	4.9
95.04941	1.3
95.08595	8.9
97.02885	0.5
97.06528	0.6
97.10153	0.4
99.08116	0.5
101.05998	0.6
103.05453	0.6
105.03323	0.4
105.07024	3.0
106.07118	0.4
107.04948	0.9
107.08590	4.5
107.92361	0.3
109.02901	0.4
109.06483	0.9
109.10147	7.2
111.04443	0.5
111.08037	1.3
112.82905	0.3
113.05989	0.5
113.09620	1.3
115.05412	0.7
117.06995	0.9
119.04929	0.7
119.08569	4.0
121.06487	0.8
121.10114	2.8
122.07261	1.3
123.04421	0.9
123.08071	2.1
123.11682	1.8
125.05936	0.4
125.09612	0.8
129.07010	0.9
129.09048	0.5
131.04924	0.6
131.08553	1.0
133.10158	2.6
135.08051	1.4
135.11673	1.7
137.02325	0.9
137.05968	3.6
137.09604	11.9
139.11154	0.6
141.09077	1.4
143.08551	0.6
145.04836	0.4
145.10110	1.6
147.04362	1.4
147.08005	1.0
147.11678	1.4
149.09575	2.6
149.13271	1.3
151.07532	2.4
151.11168	0.4
153.09077	0.5
155.10658	0.5
157.08600	0.4
157.10159	0.9
159.08031	0.6
159.11703	1.8
161.05913	0.4
161.09639	0.7
161.13232	1.3
163.03923	0.5
163.07535	1.0
163.11163	0.9
165.09096	100.0
166.09460	1.6
167.06927	0.5
167.10686	0.4
169.08585	0.5
169.09904	0.4
171.11554	0.6
173.09610	0.8
173.13228	0.6
175.07574	1.3
175.11128	0.5
175.14929	0.6
177.09129	3.5
177.12737	0.8
179.10640	1.5
180.92157	0.4
185.09589	0.4
187.09593	0.5
187.11172	0.9
187.14764	0.3
188.08302	0.7
189.09093	1.1
189.12645	0.5
191.10655	1.6
199.11151	0.6
201.09108	0.8
201.16344	0.7
203.10635	4.3
203.14320	0.7
205.12241	6.5
213.16589	0.4
217.12267	0.6
221.15346	0.7
225.12851	0.5
227.10707	0.5
229.12181	0.6
231.13779	0.5
243.13649	0.4
247.16757	0.5
249.73564	0.4
259.20560	0.4
265.18073	0.4
267.15897	0.9
271.20636	0.6
277.21588	1.5
289.21536	1.1
297.18225	0.7
305.21002	0.8
307.26251	1.2
317.21487	0.4
323.22119	5.0
335.22150	2.5
384.15207	0.4
395.25641	0.4
413.26920	0.6
423.28430	0.5
445.09109	1.1
469.29562	1.1
487.09207	1.2
487.22461	0.7
487.30878	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	487.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22740	0.5
55.05496	2.5
56.96551	0.6
57.03419	0.6
60.06634	0.5
67.05494	6.8
69.03404	2.1
69.07065	2.7
71.04993	1.2
71.53113	0.8
79.05482	3.0
81.03363	0.6
81.07049	9.4
83.04967	1.8
83.08590	1.0
85.02879	1.7
85.06535	1.4
89.79882	0.5
91.05469	4.3
93.07041	5.3
95.04948	1.6
95.08597	8.9
97.06528	1.3
99.04400	0.6
99.08105	0.6
101.05987	1.4
105.07000	3.4
107.05000	0.5
107.08578	4.5
109.06491	1.1
109.10149	7.9
111.08049	1.9
113.09589	0.8
117.06956	0.7
119.04955	1.7
119.08569	6.4
121.06525	0.9
121.10120	3.5
122.07242	1.6
123.08058	1.9
123.11678	1.8
125.09613	0.9
127.03888	1.2
131.08522	1.8
133.06367	0.6
133.10114	3.7
135.07996	1.4
135.11668	1.5
137.05972	3.6
137.09601	12.6
137.13228	0.7
139.11154	0.6
141.09081	1.1
145.10109	2.0
147.04395	4.8
147.07980	0.7
147.11676	1.4
149.09619	2.5
149.13268	0.7
151.07597	2.6
153.09032	0.9
153.12703	0.6
157.08574	0.6
159.07985	0.8
159.11649	2.2
161.09569	1.3
161.13234	1.4
163.07521	1.3
163.11151	1.1
163.14763	0.6
165.09094	100.0
166.09445	1.8
169.08604	0.6
171.11674	0.7
172.08882	0.8
173.13278	1.2
175.07439	0.6
175.11148	0.9
177.09108	3.6
179.10663	1.6
187.09627	0.7
187.11134	0.7
187.14809	1.0
189.09119	1.4
189.12779	0.6
190.09850	0.8
191.10674	2.3
193.43922	0.5
195.42961	0.5
199.11185	1.0
201.09003	1.0
201.12709	0.8
203.10661	4.0
203.14325	0.7
205.12218	8.0
215.10532	0.7
229.12309	0.7
242.12569	0.6
259.20465	0.6
265.18106	0.6
271.20721	0.5
277.21558	2.2
289.21542	1.2
290.22842	0.5
292.11227	0.5
305.21024	0.7
307.26270	1.5
315.19324	0.5
323.22116	4.2
325.27225	1.1
335.21893	2.7
384.15753	1.0
394.84613	0.5
397.44901	0.5
413.57785	0.6
445.08844	0.8
469.29276	0.9
487.09082	1.4
487.31235	2.7
488.17929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3412
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.63277	9.0
55.05499	19.6
57.03413	12.6
58.73399	8.1
67.05501	53.1
69.07049	18.9
71.57568	10.2
79.05477	44.1
81.07049	75.7
83.08607	18.3
91.05474	49.8
93.07034	92.0
95.04960	8.5
95.08598	85.5
105.07014	74.4
105.93026	9.3
107.08591	100.0
109.06487	11.3
109.10146	47.1
117.06979	15.9
119.08569	76.5
121.06432	11.2
121.10129	84.1
123.11693	23.9
129.06990	11.8
130.07779	11.4
131.08566	35.8
133.10123	71.9
135.08044	11.6
135.11650	40.0
139.07608	12.1
140.64473	9.8
143.08528	23.9
144.47833	8.9
145.10121	46.7
147.08015	17.9
147.11707	41.8
149.09595	13.8
149.13232	24.8
155.08540	11.3
157.10100	26.3
159.11659	49.0
161.09659	20.6
161.13239	25.9
163.11253	16.3
163.14810	10.6
167.10727	9.3
169.10074	10.2
171.11691	23.1
173.13283	30.4
173.39542	7.9
175.14859	17.5
179.10553	8.8
181.12138	16.0
183.11641	11.0
185.13208	16.9
187.11171	10.4
187.14836	19.4
190.92061	8.4
197.13203	9.7
199.14824	23.1
205.15814	10.9
209.15266	12.2
213.12695	10.0
215.14258	10.1
217.15761	8.9
219.13632	12.6
222.91817	8.7
231.13742	10.4
233.15390	19.7
235.16957	13.8
245.15279	11.7
249.18489	11.7
282.09836	8.6
311.43152	9.1
433.30963	30.9
451.31970	28.8
469.32892	17.8
487.33853	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	487.3412
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05494	38.5
57.07068	10.2
64.77197	11.7
67.05476	38.8
69.07047	40.2
69.35614	40.7
69.36040	52.8
79.05473	34.7
81.07044	74.6
83.08597	23.8
85.06501	8.7
86.25034	9.4
91.05455	46.2
93.07050	70.9
95.04930	11.6
95.08607	100.0
96.64571	8.6
97.06525	14.8
97.10156	24.2
99.04385	10.4
105.07009	54.0
107.08578	77.8
109.06551	11.5
109.10139	54.0
110.76974	9.0
117.07037	9.9
119.08560	67.3
121.10153	77.7
123.11655	26.0
129.06989	12.6
131.08551	44.3
133.10121	74.6
135.11674	40.4
137.13231	12.7
143.08516	20.5
145.10118	35.5
147.11696	46.8
157.10133	44.4
159.07983	11.7
159.11673	42.2
161.09535	18.1
161.13269	30.2
163.07593	11.7
167.10657	13.2
171.11664	28.3
173.13246	42.1
175.14702	11.3
181.12207	19.2
183.11803	10.5
185.13234	22.7
187.14848	25.9
189.16397	17.1
195.13980	10.5
197.13312	12.7
201.16394	10.9
215.14386	16.3
219.13788	14.3
223.16867	11.4
233.15358	26.0
235.16766	15.6
237.18507	12.1
245.15402	13.5
249.18443	24.7
257.60031	9.3
327.23035	14.8
433.30881	23.6
451.31934	21.2
469.32962	33.7
487.27924	26.2
487.34308	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3413
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05496	22.9
56.34983	6.5
57.07079	6.9
57.69248	6.4
67.05496	54.8
69.07057	22.3
69.40096	33.5
69.40515	15.1
79.05478	25.9
81.07033	52.6
81.07404	5.4
83.04968	8.6
83.08604	9.6
86.60390	5.5
91.05457	39.8
93.07026	62.2
95.04963	8.8
95.08594	100.0
97.06503	10.6
97.10136	6.9
98.20800	13.2
98.98475	5.7
101.02399	7.5
105.07005	57.2
107.08581	75.1
109.06483	8.0
109.10155	47.5
113.09656	8.1
116.93108	5.7
117.07001	18.1
119.08545	59.2
121.06489	8.1
121.10126	52.3
123.08031	20.3
123.11693	22.6
131.08554	24.3
133.10138	50.5
135.08041	6.9
135.11678	36.5
141.09097	12.0
143.08572	16.1
144.09277	5.4
145.10098	36.7
147.11687	34.4
149.09634	9.1
149.13220	19.6
157.10083	17.5
159.08090	8.7
159.11685	25.7
161.09598	8.0
161.13225	18.1
163.11243	8.0
163.14865	7.3
171.11670	16.4
173.09636	9.5
173.13251	19.3
175.11195	12.1
175.14865	10.9
177.09068	8.8
181.12059	9.3
183.11739	7.7
185.13214	8.2
187.11133	6.0
187.14848	17.0
189.12692	7.2
189.16374	9.6
191.10516	7.1
193.15862	9.6
195.11761	7.1
197.13295	8.6
199.14816	6.7
201.12711	13.1
203.14397	8.0
215.14244	9.7
223.57356	6.5
229.16129	6.3
233.56776	5.4
235.16914	16.2
244.36397	5.3
245.15173	6.4
247.16885	14.2
259.16730	6.6
261.18576	5.8
273.18265	5.9
289.21658	18.5
327.43530	5.9
329.24649	6.9
357.21689	5.6
390.70068	7.8
423.32483	12.2
433.30789	14.5
441.33231	11.5
451.31863	26.1
469.33038	68.4
487.07941	7.1
487.34869	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Lucyin
Peak:m/z	Relative Intensity
55.05507	8.3
58.05898	4.5
61.60942	4.2
67.05502	36.7
67.25048	4.6
69.07059	15.4
69.89029	12.7
69.89442	13.4
79.05476	26.3
81.07056	59.0
83.04980	8.0
83.08598	6.1
87.04465	34.6
91.05474	31.2
93.07041	62.3
95.08598	100.0
97.06496	6.4
98.70808	4.3
105.07032	45.3
107.08587	62.4
109.06492	5.9
109.10152	26.7
111.08064	8.4
117.07040	16.1
119.08571	55.5
121.06561	6.8
121.10130	45.4
123.11684	14.4
125.09591	5.9
129.07001	7.4
131.08568	32.2
133.10104	39.0
135.08058	6.4
135.11693	21.7
137.05968	10.0
139.07568	5.9
143.08562	20.9
145.10123	37.2
147.08040	6.0
147.11682	18.5
149.09616	9.1
149.13243	10.8
155.08481	6.4
157.10121	13.5
159.11693	45.9
161.09621	6.6
161.13232	33.9
163.11264	6.3
163.14790	7.5
167.10683	7.4
171.11659	10.5
173.13211	27.6
175.11221	10.5
175.14795	15.1
181.12253	12.7
183.11588	5.9
185.13249	13.8
187.14778	24.0
189.12895	7.9
199.14816	9.7
201.12935	4.7
201.16373	5.8
203.17805	4.9
205.15930	10.0
213.16412	6.9
215.14328	9.4
217.15952	8.6
219.13760	8.8
221.15367	7.4
223.17009	7.9
231.17464	7.8
233.15439	13.5
235.16895	16.3
237.18456	6.4
247.16997	8.3
249.18434	11.3
251.16449	16.8
263.16394	8.8
312.90228	4.7
405.31546	11.5
423.32526	21.3
433.31284	9.1
441.33685	7.7
451.32037	15.8
469.32965	17.5
487.35312	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
53.03934	6.3
55.01833	2.5
55.05502	8.6
56.25758	3.0
57.07077	3.0
65.39185	2.5
67.05492	23.0
69.07055	12.0
69.32500	25.6
71.92773	2.8
74.01916	2.7
79.05482	17.6
81.07047	50.6
83.04969	4.7
83.08614	8.5
87.89984	2.9
91.05472	33.1
93.07028	62.4
95.08595	100.0
105.07022	44.2
106.29794	2.9
107.08576	49.3
109.06499	6.9
109.10137	21.0
111.08060	2.9
117.06999	16.0
119.08566	46.4
121.06561	3.2
121.10139	41.0
123.08078	5.9
123.11695	8.8
128.06261	2.9
129.07027	6.5
131.08542	23.2
133.06468	4.0
133.10098	33.6
133.10899	2.9
135.08060	7.2
135.11685	21.0
137.05977	9.2
139.07518	7.2
142.07785	4.8
143.08549	16.4
145.10097	37.6
147.08087	4.6
147.11691	20.9
149.09612	7.1
149.13242	10.5
153.09105	8.1
157.10104	19.0
159.11674	39.4
160.12250	3.4
161.09540	5.2
161.13211	22.1
163.11159	4.9
163.14807	5.8
165.09064	5.2
167.10641	9.1
171.11702	11.7
173.09621	3.3
173.13280	17.6
175.11197	8.5
175.14835	13.4
177.12744	5.5
177.16307	3.1
179.10680	3.7
181.12254	7.3
183.11665	3.4
185.13225	8.5
187.11316	3.1
187.14775	31.5
189.12677	4.4
189.16377	6.8
191.14304	5.6
195.13847	4.7
197.13339	3.0
199.14809	6.6
201.16388	4.2
203.14310	4.0
205.15875	9.4
209.15388	6.8
213.16350	6.0
215.14316	8.0
215.17958	3.8
217.15839	6.7
219.13963	5.3
219.17293	3.7
221.15279	5.8
223.16988	7.4
227.17990	3.5
231.17451	8.9
233.15376	14.7
235.16905	9.6
245.15289	3.5
249.18494	11.0
250.47745	2.7
251.16362	25.1
263.16437	12.0
277.18021	5.5
405.31369	13.7
423.32516	25.0
433.30945	5.7
441.33612	10.9
451.31815	12.8
469.33072	14.5
487.35529	69.0
488.35529	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.2
55.05505	12.7
57.03441	13.1
62.09731	2.6
65.03910	2.8
67.05497	65.0
69.07058	13.2
71.13251	2.7
71.13584	3.4
74.79417	2.1
79.05486	38.3
81.03372	2.0
81.07047	61.2
81.50118	2.1
83.08607	5.7
91.05466	28.0
92.20435	2.2
93.07033	54.1
95.04937	6.5
95.08599	49.8
97.06530	3.2
98.98454	67.5
105.07036	22.5
107.08588	31.1
109.10157	26.7
111.08034	3.2
116.99492	3.5
117.06984	9.9
119.08562	22.1
121.10140	27.6
123.11681	9.4
131.08566	18.6
131.82970	2.3
133.10135	19.5
135.11681	22.0
136.99973	4.4
137.13254	4.5
143.08569	3.3
145.10103	18.1
147.11673	12.7
149.13248	12.1
155.01028	69.9
155.08449	2.9
159.11681	10.0
161.13310	14.7
163.11189	2.5
163.14784	8.5
173.11812	4.2
173.13240	9.5
175.14847	3.9
177.16310	3.2
187.14828	5.2
211.03615	5.5
229.04686	6.5
243.21056	22.2
261.22119	39.5
299.23770	3.1
317.24640	18.4
335.25784	100.0
336.26184	2.2
397.30890	5.8
415.22110	5.2
431.82141	2.1
471.24890	14.4
489.35999	25.7
489.42819	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	489.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67583	2.7
53.03944	16.2
55.01870	13.4
55.05506	35.8
57.03420	8.3
59.04996	4.3
60.21443	2.5
65.03934	5.5
67.05502	71.5
69.03431	3.6
69.07074	15.0
70.06588	3.3
70.92464	2.6
71.04984	9.1
71.57483	2.9
71.57869	4.1
73.06516	3.4
79.05488	100.0
81.03394	22.2
81.06564	3.8
81.07049	68.9
83.01330	8.4
83.04969	27.8
83.08598	18.6
85.02888	4.5
85.06532	4.0
89.86568	2.8
91.05475	92.0
93.07037	88.3
95.04957	29.3
95.08597	42.2
97.02887	4.6
97.06517	9.3
97.10158	4.8
99.04454	2.9
105.07024	59.0
105.07722	4.7
107.04947	17.2
107.08594	34.2
109.06504	13.7
109.10133	7.5
111.04421	4.8
115.05448	3.8
117.07020	21.6
119.08570	40.9
119.09348	5.3
121.06487	8.9
121.10130	12.4
123.08077	19.3
125.09574	3.8
127.05314	2.4
127.07522	3.5
128.06252	4.9
129.06970	19.6
131.08559	9.8
133.10107	16.0
135.11678	14.3
139.07541	2.8
139.11224	2.9
141.06982	3.0
142.64859	2.6
143.08548	8.4
145.06465	5.9
145.10114	29.2
147.08057	5.7
147.11665	43.6
153.12746	5.9
161.09653	4.4
161.13243	13.6
163.11188	29.0
171.11664	31.1
173.09596	6.1
181.12228	6.8
187.97385	3.1
189.12747	10.3
191.10648	5.8
207.13779	36.0
209.11751	7.4
225.14993	3.8
227.12746	6.6
281.17535	7.6
295.21881	3.2
471.27469	9.1
489.28217	75.0
490.28671	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	489.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59654	1.4
53.03924	2.0
53.39287	1.4
55.05502	19.1
56.00032	1.6
57.03413	2.5
67.05499	24.9
69.03406	4.9
69.07056	13.9
70.88205	5.1
71.04977	3.6
76.58817	1.4
79.05478	9.5
79.09978	1.5
81.03366	1.8
81.07048	22.5
83.01326	2.8
83.04958	4.7
83.08615	2.7
85.02879	2.0
85.06508	1.5
91.05482	10.8
93.07027	15.0
95.04956	8.1
95.08594	28.6
97.06492	4.6
97.10158	19.9
99.08100	1.7
105.07019	12.7
107.04947	3.3
107.08598	12.3
109.06463	4.7
109.10142	36.5
111.04414	7.7
111.08079	2.5
111.11682	3.7
113.09580	2.5
115.05388	2.0
117.07009	4.6
118.94816	1.6
119.08578	10.8
121.06496	4.6
121.10123	13.6
121.13873	1.8
123.04391	2.1
123.08037	7.5
123.11677	6.0
125.05952	2.6
125.09615	7.2
127.94195	1.7
129.07018	3.6
131.08546	12.0
133.10124	7.6
135.08015	10.1
135.11655	6.4
137.05948	4.6
137.09590	18.2
139.07539	2.0
139.11142	6.7
143.08534	2.7
143.10652	4.3
143.83586	1.8
145.06413	2.9
145.10091	7.0
147.08038	2.7
147.11664	4.7
149.09599	11.2
149.13272	3.0
151.07516	26.8
153.92780	1.9
155.10579	3.3
157.10118	3.6
159.07999	8.9
159.11694	6.7
161.09570	3.2
161.13240	2.0
162.06715	5.8
163.07481	3.5
163.11165	5.5
165.09090	82.6
167.07019	5.4
167.46368	1.8
173.09628	6.4
173.11655	2.0
173.13177	2.1
175.07538	4.6
175.11049	3.9
175.14723	2.6
176.08293	5.8
177.09082	100.0
181.04852	2.0
185.09581	6.4
187.11206	5.3
187.14839	2.2
188.08377	4.4
189.09090	11.7
189.10631	2.2
189.12643	3.5
190.09901	4.5
191.10646	47.4
199.11232	8.3
201.09084	4.1
201.16501	2.2
202.09894	2.3
203.10667	23.3
205.10408	3.2
205.12227	51.6
213.12778	1.9
215.10672	4.4
217.12196	5.4
219.13771	3.1
229.12213	4.7
231.13773	4.1
237.12631	2.3
243.13713	2.9
251.26218	2.0
253.15793	2.0
255.13766	2.2
271.16943	2.3
273.18347	2.8
285.18304	2.2
287.19943	3.5
297.18478	7.7
315.19635	8.6
315.22672	1.8
321.94336	1.7
328.42123	1.8
329.68713	1.9
407.29163	2.3
435.29153	3.5
443.31387	2.9
453.29843	7.1
470.84854	1.8
471.31763	8.5
489.28067	1.9
489.32697	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03945	2.7
55.01851	1.9
55.05508	18.3
57.03435	5.8
57.07063	2.7
59.04979	2.4
59.80787	1.0
62.81232	1.0
65.03932	3.5
67.05497	83.1
69.07056	16.9
70.00568	2.1
70.00980	4.1
71.04974	2.9
79.05482	30.2
80.52567	1.0
81.07046	39.4
83.04959	2.7
83.08613	9.8
85.06520	1.8
91.05472	23.2
93.07037	36.4
95.04971	3.0
95.08601	25.5
97.06548	2.3
97.10155	4.0
99.08081	2.5
99.30222	1.0
105.07021	22.5
105.07675	2.1
107.08585	20.1
109.06464	1.4
109.10143	45.0
111.08054	2.7
117.07001	7.6
119.08575	26.5
121.10130	15.4
123.08060	1.7
123.11711	3.1
125.09581	1.8
129.06990	3.7
131.08565	14.7
133.10118	15.1
135.11685	11.6
137.09612	2.0
139.11166	2.5
141.07037	2.3
143.08557	6.0
145.10101	17.0
147.11682	14.4
149.13239	4.6
155.08595	1.8
155.10622	1.8
157.10141	4.0
159.11696	12.0
161.13245	6.3
163.11203	1.1
167.08458	1.3
169.10109	3.2
171.11655	5.5
173.11726	11.8
173.13286	8.3
175.14793	2.1
181.10002	1.1
182.37582	1.0
183.11694	3.5
185.13208	5.9
187.14793	3.4
197.13148	1.7
197.52161	1.0
199.14851	3.4
201.16316	1.7
211.14868	2.2
213.16469	2.7
239.17905	1.5
241.19508	1.8
243.21136	1.2
245.19106	1.1
255.21220	1.2
257.18881	1.1
261.18494	1.1
261.22147	4.6
268.17722	1.3
273.21976	1.8
285.22104	1.7
299.23584	2.0
303.23389	1.2
317.24734	1.9
341.24472	1.3
363.25403	1.8
377.26743	1.6
379.29791	7.3
391.28775	1.3
397.30997	15.7
415.32028	3.3
433.33344	1.5
442.25223	1.5
471.34732	12.5
489.35706	100.0
490.35672	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	490.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90379	2.1
55.05495	8.6
57.07063	3.3
67.05502	13.5
69.07061	12.5
71.04972	9.3
72.04494	2.5
79.05470	4.3
81.07043	21.2
83.08586	5.6
85.97974	1.9
86.36510	2.1
91.05466	4.4
93.07008	6.9
95.08602	23.9
97.10162	4.5
98.21616	3.9
99.08042	3.0
101.13818	1.8
105.06994	4.2
107.08581	3.8
109.10126	14.0
121.10114	2.9
123.08033	3.3
123.11664	8.0
127.11188	3.1
135.08037	3.4
135.11716	2.3
137.05917	7.4
137.13216	4.8
139.07503	4.1
149.05956	5.0
151.07512	28.0
163.07532	2.9
165.05394	9.7
165.09096	8.4
167.07027	99.5
168.07419	2.4
175.07573	4.7
177.09132	5.7
179.06918	2.4
179.10715	3.0
181.08537	3.3
185.09599	2.6
189.09096	21.6
191.10690	2.6
193.08595	3.2
203.10675	14.1
207.10083	11.8
217.12106	6.1
389.68430	2.1
427.26639	3.2
427.32034	33.7
428.32129	3.0
445.33087	100.0
446.33014	4.3
453.01758	2.5
491.29892	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01854	1.7
55.05484	2.0
55.99957	0.5
56.96574	0.8
58.12426	0.6
61.02894	0.5
63.02380	0.7
65.03925	1.4
67.05500	3.0
67.05792	0.6
69.03414	1.9
69.07032	0.8
69.73587	2.8
77.03895	0.9
79.05475	6.3
81.03376	1.1
81.07054	4.2
83.04930	1.0
83.08616	1.0
85.02891	2.8
89.03887	1.2
91.05468	15.3
93.07027	6.1
94.04167	4.5
95.04963	3.8
95.05448	0.6
95.08583	4.2
97.02903	1.3
97.06527	0.8
102.04633	0.6
103.05447	6.7
105.07018	6.8
107.04948	6.1
107.08604	2.8
108.05721	1.5
109.06515	4.3
109.10126	2.6
111.04422	1.3
111.08074	1.7
114.10806	0.5
115.05441	7.2
116.06190	0.9
117.03325	1.4
117.06985	6.3
118.04171	0.6
119.04933	5.4
119.08564	3.0
121.06471	6.4
121.10159	1.1
122.03629	8.1
123.04406	1.4
123.08044	5.1
123.11696	1.0
125.05931	0.7
125.09632	0.8
128.06216	3.0
129.06990	7.6
129.09084	0.8
130.04114	0.6
131.04895	7.9
131.08549	2.4
132.05708	1.2
133.02866	2.0
133.06442	3.8
133.10138	1.0
134.07259	0.7
135.04379	2.1
135.08051	4.2
135.11630	0.6
136.05164	1.3
137.05954	100.0
137.09605	2.3
138.06276	0.8
139.07561	1.4
139.11189	0.7
141.07033	1.4
143.04898	3.3
144.05646	1.7
145.02829	1.0
145.06441	6.3
145.10072	1.1
146.03607	4.3
146.07236	2.1
147.04379	3.7
147.08020	3.7
148.05182	0.7
149.05952	7.0
149.09607	2.4
149.13231	1.0
151.03871	4.0
151.07520	54.6
152.07872	0.8
153.05392	0.9
153.07007	0.8
157.06465	4.6
157.10013	0.6
158.07185	1.1
159.07970	3.2
160.05136	4.0
161.05957	32.8
161.09596	4.4
162.06702	2.7
163.03882	6.2
163.07516	11.9
163.11189	0.6
165.05452	1.0
165.06940	1.8
165.07634	0.8
165.09081	13.4
166.07790	0.8
167.07007	2.5
167.08401	0.8
169.06427	1.4
171.08003	1.3
172.05208	1.7
173.05962	1.2
173.09540	0.6
174.06770	4.3
175.07520	32.9
176.08255	1.1
177.05466	1.6
177.06914	0.8
177.07495	1.1
177.09087	14.1
177.87602	0.6
178.07782	1.9
179.07152	0.6
179.08478	3.0
179.10672	1.0
181.06470	1.9
182.07274	0.9
183.08032	0.6
184.07320	0.8
185.06050	1.5
187.07521	5.0
188.08278	1.2
189.07024	4.7
189.09085	19.0
190.07747	1.7
191.06990	0.8
191.08566	2.2
191.10648	5.8
193.06544	1.6
193.08566	1.9
194.07251	2.3
194.28889	0.7
195.08099	2.4
195.10118	15.2
195.11823	1.3
197.09596	0.8
199.07556	1.3
201.09093	1.9
202.07776	1.1
203.08652	1.8
203.10593	1.3
205.06552	3.2
205.08272	0.9
205.12164	1.2
206.07245	3.4
207.08026	3.4
207.10149	5.0
208.08780	1.8
209.05983	0.9
209.09682	1.2
210.06715	2.4
211.07466	2.9
213.09117	1.7
217.06499	4.2
217.08458	1.4
218.07202	2.2
219.08014	5.3
219.10170	3.7
220.08810	1.4
221.05930	2.3
221.09610	2.3
222.06699	2.4
223.07500	2.9
223.11147	0.9
224.08321	2.1
225.09015	3.3
227.06944	1.1
229.10164	1.2
231.08098	2.3
232.08737	0.9
233.05951	2.1
233.09578	1.5
234.06720	12.3
234.10345	0.8
235.07480	7.5
236.08249	2.8
237.05473	1.2
237.09154	4.4
238.06160	1.0
238.09833	1.4
239.06903	2.9
239.10716	1.3
240.07872	1.3
241.08516	1.5
245.05937	1.9
245.09560	1.5
246.06731	1.6
247.07610	3.8
248.08238	3.0
249.05324	1.3
249.06216	1.1
249.09077	21.1
250.06227	1.8
250.09799	1.8
251.06973	4.0
251.10623	3.6
252.07755	7.7
253.08530	6.6
254.09348	2.7
255.06406	1.0
255.10225	1.1
257.09573	1.8
259.07468	1.7
261.09021	2.6
262.06235	5.3
262.09903	1.2
263.06985	5.0
263.10593	2.2
264.07764	3.6
265.05322	1.2
265.08502	10.4
266.05844	0.6
266.09341	2.7
267.06622	1.0
267.10052	4.1
268.07385	1.7
268.10846	0.8
269.08118	0.8
269.11829	1.1
270.08823	1.7
271.07236	0.7
273.09055	1.5
274.09930	1.3
275.06992	0.9
275.10495	1.2
276.07825	1.3
277.08557	36.8
277.11972	1.7
278.09201	5.6
279.06561	2.7
279.10141	7.1
280.07285	9.0
280.10593	1.6
281.08051	6.1
281.11664	3.0
282.08759	3.2
283.09607	5.6
284.10425	1.7
285.08612	0.7
285.11362	6.4
288.08057	0.7
289.08685	1.3
289.12192	1.5
290.09192	1.6
291.10129	5.3
293.08081	3.3
293.11572	2.3
294.08749	5.5
295.09589	41.6
296.10309	6.0
297.11188	22.2
297.14606	0.9
298.11832	1.3
299.13046	3.5
302.09326	1.3
303.10159	2.3
305.11652	2.4
306.08713	1.4
307.09735	1.8
307.13284	0.8
308.10373	2.4
309.11185	33.3
310.11966	6.0
311.12778	17.6
312.13412	0.8
317.11389	2.9
317.13959	3.9
319.09869	0.9
321.11176	2.3
322.12204	1.0
323.12921	6.6
329.13861	2.0
330.14301	0.9
334.12097	0.7
335.12772	6.2
336.13531	1.0
337.08478	1.1
337.09845	1.1
337.14316	20.3
340.11444	0.7
341.13831	2.4
343.15396	1.0
349.14401	5.5
353.13943	7.9
354.14767	1.3
355.09323	0.8
355.13086	0.9
357.11127	1.4
367.15393	8.8
368.10376	0.9
369.11124	1.0
370.12070	0.8
371.12863	0.8
383.08594	0.8
383.12991	1.2
384.13437	0.8
385.14481	1.4
398.11023	1.5
398.15720	1.1
399.12024	1.0
400.12827	1.4
409.14246	1.4
411.12228	0.9
413.13406	3.3
415.15689	3.0
416.16284	0.8
417.13202	1.3
426.14908	0.8
427.15524	1.4
431.18301	1.1
432.15216	0.9
433.15948	0.7
441.16882	2.7
444.15482	1.0
445.16324	4.3
447.17987	6.4
454.19397	0.7
459.18051	8.2
460.18341	1.3
461.19424	2.3
473.19565	7.0
491.20581	41.1
492.20621	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	491.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84795	2.4
50.96771	2.8
52.58773	2.6
53.03927	11.7
55.01862	26.7
55.05503	57.8
57.03425	13.9
59.04980	10.0
65.03932	3.6
67.05159	4.8
67.05498	63.7
69.03412	6.6
69.07056	18.1
70.11333	13.5
71.01350	5.1
71.04985	16.1
77.03957	2.8
79.05482	98.5
81.03404	39.2
81.07050	75.9
83.01331	22.3
83.04972	34.0
83.08614	36.2
85.02880	11.1
85.06510	4.3
91.04898	2.8
91.05468	72.9
93.07028	100.0
95.04950	45.0
95.08601	39.4
97.02876	8.7
97.06546	17.4
97.10138	14.9
98.20802	3.1
99.04443	9.8
103.05437	3.8
105.07018	49.0
107.04946	40.6
107.08585	50.1
109.06496	28.0
109.10139	14.3
111.04420	11.7
111.08044	6.9
113.94346	3.2
115.05445	4.0
116.60219	2.7
117.07009	28.2
119.08561	36.2
121.06487	23.3
121.10127	39.3
123.04404	5.7
123.08041	27.4
125.05924	5.1
125.09608	11.0
129.06995	14.7
130.07771	5.8
131.04939	3.0
131.08569	24.2
133.06488	4.8
133.10124	14.8
135.04419	3.2
135.08002	7.9
135.11665	37.6
137.05972	3.6
137.09627	6.3
139.07506	3.4
139.11060	3.1
143.08549	5.2
145.06421	7.0
145.10109	53.6
147.08020	9.6
147.11647	9.2
149.09575	7.4
151.07483	3.1
151.11136	2.7
153.12712	17.5
155.08553	7.8
157.10083	6.2
161.09537	3.6
161.13309	4.8
163.11153	80.6
163.12506	4.2
167.10657	3.2
171.11649	7.5
173.09569	10.2
173.13242	3.2
181.12238	16.1
189.11188	5.9
191.10616	12.9
193.12245	6.8
199.13240	3.8
207.13704	3.2
209.11652	24.3
217.93184	3.1
219.13712	6.7
227.12721	19.3
249.14790	3.9
267.15851	4.5
273.14890	4.7
283.15308	2.9
338.16422	2.9
349.21536	2.9
367.22809	6.4
385.23706	10.1
409.80292	2.6
414.02124	3.1
459.27298	30.1
473.28839	11.3
491.25620	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79370	3.1
53.03930	10.2
55.01860	21.2
55.05257	5.8
55.05505	100.0
57.03418	12.1
58.23132	2.9
59.04980	4.2
65.03921	4.1
67.05497	88.7
69.03416	18.1
69.07059	30.4
70.35878	11.6
71.04990	18.6
79.05484	82.9
80.41136	2.8
81.03426	23.5
81.07046	84.6
83.04983	24.4
83.08612	51.7
85.02884	7.5
85.06541	9.2
87.04456	5.0
91.05470	68.3
93.07035	69.6
95.04956	42.5
95.08599	42.8
97.02883	6.4
97.06519	14.9
97.10159	87.7
103.05436	6.8
105.03405	3.1
105.06380	4.0
105.07022	50.6
107.04284	5.1
107.04946	69.2
107.08582	63.8
109.02823	7.6
109.06511	31.9
109.10131	38.8
111.04412	9.9
111.08066	12.8
117.07001	21.8
119.04926	5.4
119.08572	32.1
121.02845	11.5
121.06481	44.9
121.10139	35.4
123.04399	11.2
123.08037	13.7
123.11692	13.0
125.09618	85.2
128.06149	5.7
129.07004	16.1
131.04860	7.0
131.08563	33.1
133.04964	3.9
133.06453	6.9
133.10103	31.1
135.04417	7.3
135.08031	26.5
135.11656	14.0
137.05930	20.9
137.09570	10.4
139.07535	3.1
139.11116	7.9
141.06963	3.7
142.07715	7.8
143.08543	18.3
143.10655	4.1
145.06465	11.3
145.10114	21.5
147.04292	4.4
147.07997	13.3
147.11639	15.4
149.05957	6.2
149.09596	13.3
149.13206	6.5
151.07544	15.5
151.11163	4.9
153.09064	11.6
155.08530	12.1
157.06503	4.6
157.10088	12.0
159.08038	11.2
159.11667	10.3
161.05963	7.7
161.09634	15.0
161.13280	5.2
163.07632	3.7
163.11150	13.6
165.09117	31.2
167.07042	24.0
167.10724	5.6
169.10031	6.6
171.07962	8.6
171.10150	5.4
173.09634	6.9
173.13242	10.7
175.07562	5.5
175.11145	12.4
177.05295	3.2
177.09065	11.8
181.04936	4.4
181.10043	4.1
183.11649	7.9
185.09499	5.9
187.14713	3.7
189.09129	11.6
189.11177	52.2
189.12816	2.9
191.10661	14.8
191.14265	14.2
193.12196	21.0
199.07759	3.3
199.11171	6.0
199.13181	3.6
201.09206	4.0
201.12732	6.7
203.10643	11.4
205.12195	11.2
207.10051	4.6
207.13831	3.4
209.11626	6.1
211.11313	3.9
213.12691	3.4
215.10654	3.5
215.14175	4.7
217.12253	5.9
219.13765	75.1
225.11028	5.0
227.12708	32.7
235.13293	6.5
243.13734	4.0
247.13254	13.2
247.16887	4.9
257.15466	4.3
263.12790	11.9
265.14417	4.4
273.14758	7.1
275.16290	9.5
281.13907	4.5
287.16409	3.4
319.15115	3.3
349.21609	8.9
353.20850	6.3
367.22787	18.9
371.22043	11.8
381.20511	11.4
385.23648	20.6
389.23102	12.1
399.21237	16.1
403.24933	5.5
407.24194	3.9
417.22491	9.3
437.27121	3.7
438.79770	3.4
442.01559	3.6
445.25977	26.0
455.27722	3.7
459.27374	44.2
460.27234	3.6
463.26508	15.8
473.24268	17.7
491.25369	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01853	5.5
55.05509	39.4
57.03415	13.2
59.04984	5.2
63.98200	3.8
67.05490	61.3
69.03411	5.7
69.07057	15.1
70.15782	7.5
70.16180	12.4
79.05482	62.5
79.90327	5.5
81.03414	40.5
81.07050	63.3
83.04969	9.8
83.08608	30.9
85.06490	3.8
91.05473	97.9
93.07030	50.4
94.33817	4.3
95.04951	26.9
95.08588	29.8
97.10154	19.1
101.90331	4.7
101.94825	4.5
102.67460	4.3
105.07008	53.3
107.04912	6.5
107.08562	21.8
109.06518	6.9
109.10127	10.5
111.08087	10.7
115.05452	4.4
117.06989	32.6
119.04980	5.9
119.08549	28.4
121.06477	5.2
121.10098	9.5
121.90182	4.2
123.08031	8.2
123.11717	26.6
125.09612	17.3
128.06204	4.7
129.06953	23.3
131.08511	21.7
133.06491	6.1
133.10104	22.0
143.08528	19.7
145.10063	12.2
147.08026	6.5
147.11656	14.8
155.08527	8.8
157.10080	8.2
161.13243	7.3
169.10165	6.5
171.11673	16.3
185.13243	7.3
187.13290	10.3
189.11159	11.5
193.12210	19.4
195.11594	5.5
207.13795	15.7
227.12790	10.9
229.15965	5.2
231.13811	5.3
243.15855	5.6
249.14877	18.1
259.38931	4.2
267.15924	27.4
277.17932	8.6
281.17435	17.2
292.80792	5.1
305.17386	12.6
320.27295	5.1
324.34006	4.4
363.23019	10.3
381.24155	14.6
399.25143	12.8
473.28848	100.0
491.30078	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	491.2996
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03935	5.1
54.41000	2.5
55.01861	8.8
55.05506	30.5
57.03421	8.8
59.04991	3.5
67.05498	45.6
67.05855	3.0
69.03412	4.9
69.07063	14.6
71.04984	16.4
71.06242	3.4
71.06583	4.6
79.05043	4.0
79.05484	60.0
81.03403	10.1
81.07053	45.7
83.04964	8.9
83.08605	11.7
85.06544	4.3
89.99598	2.0
91.05474	32.4
93.07032	52.3
95.04963	25.8
95.08598	23.2
97.02885	3.3
97.06530	7.3
97.10165	19.4
105.07028	21.9
107.04940	52.2
107.08591	22.3
109.06510	27.2
109.10152	15.8
111.08089	4.2
115.05447	3.8
117.06992	14.2
119.08544	12.3
121.06498	37.5
121.10116	26.9
123.04395	2.8
123.08051	5.4
125.09615	15.3
129.07024	10.9
131.04909	5.5
131.08549	27.5
133.06497	6.8
133.10146	9.5
135.08014	12.8
135.11658	4.9
137.05992	3.7
137.09602	5.1
139.11183	3.6
141.06995	4.8
142.15865	2.0
143.08537	8.8
145.06459	12.7
145.10106	11.9
147.08046	8.8
147.11674	4.7
149.09627	8.7
151.07593	4.5
153.09094	3.3
153.12740	2.6
155.08603	3.2
157.06525	5.5
157.10170	5.5
159.08011	10.4
159.11700	7.2
161.05974	4.7
161.09583	4.7
163.11113	4.7
165.09122	18.9
167.08510	3.6
167.10667	6.9
169.10156	6.5
171.08032	4.5
171.11674	4.9
173.09637	5.5
173.13295	6.3
175.07521	3.1
187.11198	6.0
189.11140	11.0
191.14342	7.4
193.12257	5.9
195.11694	3.5
197.13191	2.7
199.11389	2.9
199.13216	11.2
201.12656	2.3
205.12314	2.5
205.15891	2.4
213.12735	2.6
215.14412	3.8
219.13683	17.4
223.13199	2.7
225.12729	2.4
227.14484	3.3
231.13770	2.9
233.15373	5.3
239.14232	2.7
247.16829	3.8
249.14899	6.5
253.15749	2.4
255.13773	3.7
257.15323	3.2
271.17102	2.9
273.14890	8.6
275.16425	10.7
289.18146	2.6
325.90683	2.3
330.74805	2.2
339.23199	7.2
349.21561	13.6
357.24307	3.2
367.22693	32.4
385.23697	47.3
385.28397	4.0
399.25409	3.8
403.24829	8.7
417.26520	4.7
423.25247	4.5
441.26166	10.2
454.84445	2.8
459.27353	91.1
460.27722	3.3
473.29041	11.2
491.30035	100.0
492.30582	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2996
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03935	9.6
55.01855	6.2
55.05259	3.4
55.05503	37.2
56.93799	1.8
57.03428	14.3
63.38542	1.9
65.03930	4.5
67.05496	67.4
69.03414	4.8
69.07065	15.7
70.66115	7.1
71.04983	6.5
75.97084	2.1
79.05480	79.8
81.03407	57.7
81.07045	62.3
83.04956	18.8
83.08607	25.9
84.01889	2.0
85.02908	16.1
85.06541	5.6
91.05469	100.0
93.07031	61.8
95.04948	40.5
95.08581	27.9
97.06522	8.2
97.10162	11.5
103.05463	1.9
104.86130	2.5
105.07021	60.2
107.04938	12.1
107.08570	23.7
109.06487	8.9
109.10136	10.7
111.08043	7.4
113.05991	2.1
115.05444	2.5
117.07019	21.4
119.08567	38.9
121.06476	7.9
121.10118	10.1
121.10916	1.8
123.08057	7.3
123.11695	17.3
125.09619	9.4
128.06187	3.3
129.06990	30.0
131.08542	17.3
133.06490	4.4
133.10127	16.4
135.08098	2.3
141.06996	3.6
142.07742	5.5
143.08505	13.3
145.10086	13.7
147.08017	4.7
147.11668	39.0
149.09589	7.8
155.08511	4.7
157.10127	11.2
157.53600	2.3
159.11580	2.0
161.09598	2.9
161.13258	9.1
169.10088	4.4
171.11659	25.3
175.11159	9.4
181.10188	3.5
185.13251	4.0
187.13304	7.1
189.11243	4.6
189.12762	9.7
193.10608	3.8
193.12236	36.7
193.13879	4.1
195.11534	2.5
207.13837	22.2
211.13199	25.5
211.14928	2.8
227.12700	4.1
233.13058	2.4
243.15878	3.9
249.14867	8.2
267.15875	23.6
277.17801	3.5
281.17474	23.6
287.61194	1.9
305.17459	4.7
306.50183	2.3
353.24542	3.4
363.22980	3.3
376.18829	2.7
381.24341	3.6
399.25162	6.7
427.65103	2.2
455.28131	2.8
468.50510	2.4
473.29041	56.4
491.29922	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	4.7
55.05492	8.7
66.55824	4.4
67.05488	10.2
69.03416	3.8
69.07055	5.1
70.82149	4.0
70.82475	6.4
71.04972	3.5
75.82090	3.4
79.05473	12.2
81.03397	5.9
81.07024	9.4
81.55997	4.4
85.02855	5.5
91.05471	13.2
93.07029	7.3
94.04188	3.6
95.04976	8.2
95.08595	12.6
97.02886	4.8
97.06488	5.8
103.05424	6.6
105.07030	13.0
107.08589	8.5
108.08876	3.6
109.10127	8.2
111.04449	4.3
117.06979	5.1
117.30846	3.9
119.04941	15.7
119.08568	8.1
121.06451	3.8
121.10123	6.9
122.98690	3.9
123.08036	7.0
126.51168	3.6
128.06172	3.7
131.04915	11.5
131.08536	4.8
133.06517	4.6
135.08049	4.2
135.11684	3.8
137.05966	47.8
137.09552	5.5
138.06264	6.6
145.06467	3.8
147.04396	100.0
151.07553	28.3
152.07883	4.0
161.05925	12.9
162.06509	3.5
163.07524	11.6
165.09090	28.1
166.09445	12.0
175.07513	14.7
177.09100	66.3
178.09486	5.6
189.09088	4.4
190.09550	5.3
191.10527	4.9
195.10146	6.1
196.10522	3.8
207.10077	4.9
209.11751	5.1
219.13455	4.1
221.11658	7.3
227.06775	4.7
265.08594	13.1
279.10248	4.9
297.11115	9.7
309.09705	11.5
310.11566	7.3
311.12714	11.0
492.20966	11.2
499.93555	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	492.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	11.2
55.53554	2.5
57.07060	7.4
67.05480	7.2
69.07055	24.5
71.08620	3.3
71.53497	2.8
71.53918	4.3
81.07040	11.9
81.92490	2.4
83.04958	2.3
83.08632	16.7
85.10190	2.8
91.05466	3.6
92.22812	2.1
93.07023	6.7
95.08598	8.9
97.10152	8.0
102.56798	2.5
105.07013	3.9
107.08586	5.3
109.06556	2.8
109.10094	5.6
119.08562	4.9
123.11654	2.8
125.13200	2.4
133.10161	2.5
133.73370	2.5
135.11725	2.8
137.05969	5.9
139.07487	2.8
151.07489	12.3
152.26979	2.2
157.10170	3.3
157.54730	2.3
162.07736	2.2
165.05463	4.1
165.09068	5.7
167.07024	71.1
168.07420	3.0
171.11671	3.7
174.91879	2.5
189.09116	4.8
193.08636	6.8
203.10587	4.3
205.08595	7.0
207.10144	8.9
219.10086	3.0
221.11623	5.3
233.11978	3.0
347.25711	4.4
363.41104	3.0
429.33575	50.4
430.33694	3.1
447.34540	9.6
492.30005	100.0
492.35788	23.7
493.29782	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	493.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.1
55.05499	2.1
56.29274	0.8
65.03917	4.0
67.05499	10.1
69.03420	3.7
70.43233	3.5
80.61667	0.9
83.04971	13.2
85.02879	2.0
89.03864	1.2
92.26439	0.9
93.03383	4.8
95.04957	9.8
97.02875	1.1
107.04948	1.1
110.37415	0.9
111.04433	11.0
111.19917	1.0
113.49178	0.9
115.05450	2.6
117.03413	1.1
121.02859	4.4
128.06143	1.0
129.05469	2.3
129.06967	1.4
130.75739	0.9
131.08588	1.2
135.04381	5.7
139.03888	13.7
139.05420	3.1
141.06976	8.6
143.04903	2.1
143.08508	1.8
147.04393	1.2
148.28033	0.9
152.06166	1.7
153.06952	11.1
155.04912	1.4
155.08513	1.7
157.05054	1.7
157.06479	3.7
159.04257	1.1
159.25813	0.9
161.05952	2.8
163.03888	34.1
164.04262	1.1
165.06967	14.0
167.04912	3.8
167.08655	1.1
169.06471	9.2
171.08057	2.1
173.05933	3.8
174.06685	1.0
175.07475	1.5
181.05013	0.8
181.06448	20.9
183.08011	3.7
185.05939	16.6
187.03902	4.4
187.07539	10.6
189.01801	2.4
189.05458	9.0
189.09085	1.6
191.03410	2.2
193.06421	6.4
195.04318	2.0
195.07982	1.1
197.05949	34.0
199.07510	16.0
201.05515	3.3
201.09171	1.8
203.07057	1.7
209.05939	8.1
211.07489	7.9
213.05435	100.0
214.06065	3.0
215.03520	1.7
215.07005	8.2
217.04958	3.5
217.06824	1.2
217.08672	1.8
221.05960	2.0
227.06985	33.6
228.07504	1.0
229.04968	2.5
229.08508	6.7
231.06479	18.1
237.05440	8.8
239.07014	13.1
241.04939	8.9
245.08098	4.1
255.06496	28.3
257.04486	3.8
257.08127	9.4
259.05972	22.7
265.04926	2.4
271.06113	1.6
273.07516	26.6
277.07227	1.8
283.05893	9.2
291.08569	12.4
301.07022	96.6
302.07367	3.2
319.08121	6.4
447.12494	1.4
493.13324	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	493.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03943	0.5
55.01857	0.8
55.05486	0.6
58.95015	0.3
65.03925	0.9
65.98251	0.3
66.04707	0.6
67.05489	1.6
69.03411	1.1
69.07054	0.8
71.04969	1.4
71.57284	0.5
75.66514	0.4
79.05498	2.6
81.03439	0.4
81.07043	2.9
83.04977	0.6
85.02902	1.5
85.06522	0.5
86.09666	0.5
88.66830	0.3
91.05468	8.8
91.06043	0.6
93.07037	1.7
94.04173	4.9
95.04979	1.9
95.08599	1.9
97.06543	0.6
97.10220	0.4
103.05454	4.7
105.07019	3.5
107.04944	1.6
107.08565	1.4
107.25569	0.4
109.06519	1.8
109.10146	1.3
111.04420	1.0
111.08106	0.3
115.05425	1.0
117.06982	0.8
118.04257	0.4
119.04927	4.2
119.08562	1.5
121.06498	2.2
121.10126	1.1
122.03636	8.0
123.04421	0.7
123.08053	1.4
123.11687	0.8
125.05951	0.5
128.06204	1.3
129.06960	2.1
131.04913	7.4
131.08553	1.2
133.06473	2.5
133.10143	0.6
135.04330	0.4
135.08067	2.4
135.11624	0.5
136.05223	0.8
137.05960	100.0
138.06265	2.7
141.07028	0.7
143.08505	0.8
145.06459	1.6
145.10109	1.1
147.04398	0.8
147.11557	0.5
149.05957	3.3
149.09593	0.6
151.07527	27.3
151.11130	0.5
152.06171	1.2
153.05476	0.4
153.06982	0.7
157.06462	1.0
157.10127	0.6
159.08063	1.2
159.11702	0.5
160.05186	1.0
161.05960	4.0
162.06754	0.7
163.03848	0.5
163.07527	13.8
163.11147	0.4
165.05617	0.7
165.06967	3.1
165.09076	3.6
166.07762	1.2
166.09311	0.3
167.07059	1.3
167.08572	3.6
169.06444	0.9
171.08026	0.6
171.11700	0.6
173.09601	0.5
174.06804	1.5
175.07555	3.4
177.06993	0.6
177.09050	2.6
179.08492	0.7
181.04982	0.6
181.06477	1.2
181.10127	0.6
182.07269	0.8
184.07312	0.5
187.07506	2.3
188.08337	0.6
189.09102	4.9
191.08691	0.6
191.10649	2.0
193.06581	2.1
193.08452	0.6
193.10190	0.5
194.07274	0.6
195.08037	5.9
196.08783	0.7
197.05997	1.1
197.09535	0.4
199.07611	0.5
201.09132	1.8
203.08629	0.5
203.10588	0.7
205.12259	1.0
206.07343	0.4
207.08096	0.5
207.09984	0.5
209.05980	0.6
209.09608	0.9
210.06725	2.1
211.07489	1.2
212.08318	1.1
213.09143	1.1
215.10547	0.6
219.08025	1.1
219.10007	0.6
221.05933	3.5
221.09619	0.6
222.06622	0.6
223.07532	1.9
224.08275	1.3
225.09077	2.5
226.09419	0.5
227.07088	0.5
227.10648	7.0
232.08771	0.5
233.09483	0.7
235.07613	0.5
237.09120	1.0
238.06171	0.7
239.06897	0.5
239.10802	0.8
240.07735	0.4
249.08943	0.7
250.09976	0.5
251.10632	1.2
252.07870	0.6
253.08519	3.8
253.12315	0.5
255.10107	7.9
258.05396	0.5
259.13486	0.4
261.08997	0.7
263.10477	0.4
265.12265	0.6
267.10056	2.2
269.11697	0.8
277.08578	0.4
277.12091	0.4
279.10098	0.8
281.11761	0.8
285.11209	5.6
287.12778	14.2
291.10117	0.5
291.13501	0.4
293.11816	0.6
297.11038	0.5
299.12793	0.8
301.14328	0.4
305.11600	1.0
307.13116	0.4
311.12778	0.7
313.14279	2.8
319.13309	1.2
325.14368	1.9
328.12662	0.4
337.14322	1.3
343.14792	0.9
347.07553	3.3
351.15805	3.4
369.16650	0.6
415.19113	2.8
439.28143	0.5
443.18430	1.8
457.29568	0.7
475.21039	1.9
475.30713	0.6
493.21106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01860	1.3
55.05495	2.1
65.03931	0.9
67.05508	3.1
69.03396	0.7
69.07059	2.2
71.08187	1.1
71.08511	0.7
79.05494	4.0
80.13928	0.6
81.03414	1.8
81.07049	5.8
83.04951	1.4
83.08528	0.7
85.06539	0.7
91.05468	8.9
93.07046	4.1
94.04192	3.0
95.04951	2.9
95.08586	3.7
97.06499	0.8
97.10152	0.8
103.05452	26.2
105.07018	4.9
107.04951	2.7
107.08569	2.2
109.06520	2.6
109.10141	2.7
111.04424	1.1
115.05417	2.5
117.07011	2.7
119.04931	2.9
119.08575	2.7
121.06487	2.8
121.10121	2.4
122.03638	7.1
123.04414	0.9
123.08083	2.3
123.11701	1.0
125.09673	1.2
128.06238	1.6
129.06990	3.5
131.04912	37.5
131.08522	1.2
133.06505	0.9
133.10110	0.9
135.08049	2.0
135.11650	1.2
136.05122	1.0
137.05963	100.0
138.06310	1.0
143.04900	2.1
143.08611	0.9
145.06465	2.3
145.10144	1.0
146.03654	0.8
147.04359	1.2
147.08073	1.6
147.11681	1.3
149.05969	2.0
149.09586	1.4
150.40323	0.7
150.95004	0.7
151.07529	20.5
157.06480	1.4
159.08035	0.9
160.05196	0.8
160.43857	0.6
161.05975	15.0
161.09622	2.9
162.06734	1.4
163.03867	0.9
163.07524	35.2
164.08015	0.6
165.05533	0.9
165.06892	1.1
165.09137	3.7
166.62654	0.6
167.07001	1.7
167.08409	0.9
169.06392	0.6
173.09642	0.9
174.06734	0.8
175.07529	11.4
175.11096	0.8
177.09088	36.5
178.09476	0.7
179.08565	1.4
179.10571	0.8
181.06319	0.6
187.07510	1.3
189.09077	7.9
190.07751	1.1
191.08574	1.3
191.10567	1.4
193.10063	0.7
193.12315	0.7
194.07216	1.1
195.08264	1.1
195.10103	6.4
201.09032	1.5
205.06517	1.6
205.08444	0.9
205.10262	0.8
207.08087	1.7
207.10167	5.4
209.09651	1.0
209.11667	1.5
210.06706	0.7
218.07312	0.8
219.08022	1.5
219.09944	1.1
221.05977	1.0
221.09689	1.4
221.11707	3.0
222.06812	1.1
223.07504	1.1
224.08324	1.5
225.08963	1.4
232.08775	0.7
233.05879	0.9
233.09636	1.7
235.07550	2.6
237.09111	2.3
239.10728	1.4
240.04189	0.7
247.07500	0.9
249.09009	1.6
250.09914	0.7
251.10638	2.6
253.08600	1.4
261.09137	1.5
264.07681	1.2
265.08615	5.9
265.12030	1.0
265.14758	0.7
266.09317	2.0
267.10217	3.8
269.08112	0.8
269.11652	0.8
278.09250	0.9
279.10110	5.0
281.08087	0.9
281.11829	1.6
284.10464	1.0
285.11197	1.6
287.12695	1.8
293.11630	3.8
295.09552	1.0
296.10400	0.8
297.11200	9.5
298.11832	0.8
299.12692	4.1
310.11819	1.0
311.12711	11.6
312.13522	0.9
313.14322	3.1
317.13815	1.6
319.13400	1.0
323.12720	1.7
325.14288	3.6
343.15369	15.5
351.15747	1.3
355.15311	1.0
357.17084	0.9
369.17157	3.5
475.20776	0.9
493.22073	8.6
493.28268	2.0
494.15353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
55.01862	13.4
55.05255	2.8
55.05504	43.5
57.03425	15.8
57.07048	3.7
59.04987	4.4
61.59528	1.8
62.18572	1.8
65.03923	5.2
67.05498	62.5
69.03405	9.2
69.07072	20.5
69.49179	4.4
69.49556	16.2
71.01360	2.4
71.04993	11.1
73.02925	2.9
73.04477	1.9
79.05485	79.5
79.06757	2.0
81.03410	88.4
81.06567	3.6
81.07050	71.5
83.01333	3.3
83.04977	24.8
83.08614	35.9
85.02895	25.6
85.06526	7.7
91.05477	62.2
93.06459	4.0
93.07036	79.7
95.04958	46.9
95.08596	55.4
97.02870	8.2
97.06533	10.3
97.10156	16.6
99.04424	6.5
99.08074	3.8
105.04497	2.5
105.07027	38.6
107.04943	24.8
107.08586	44.4
109.02871	3.5
109.06526	12.3
109.10136	20.2
110.37531	2.4
111.04450	16.6
111.08065	14.6
113.05991	2.6
115.05388	2.5
115.16357	1.9
117.06998	19.2
119.08573	34.2
121.02850	5.2
121.06496	16.3
121.10132	27.0
123.04391	3.5
123.08029	9.0
123.11671	4.9
125.05948	4.0
125.09611	11.1
128.06212	2.7
129.07010	16.1
131.04906	3.0
131.08583	18.6
133.06464	5.7
133.10133	16.4
135.04388	4.1
135.08046	8.3
135.11678	52.4
137.05949	4.7
137.09641	3.7
139.07483	3.9
142.07736	2.9
143.08498	5.5
145.09015	3.5
145.10104	39.9
147.04382	3.0
147.08046	5.2
147.11655	20.2
149.05902	3.8
149.09605	6.3
151.07440	2.1
153.09119	2.1
153.12723	8.1
155.08530	2.8
157.10127	14.1
159.11713	3.2
163.11159	71.0
165.12802	3.0
167.07025	7.0
169.10106	2.4
173.09560	3.8
173.11737	2.8
175.11127	17.4
179.32672	1.9
181.12228	18.4
183.11601	2.5
185.13243	3.2
189.11133	4.0
191.10632	7.7
193.12227	54.9
198.99063	2.5
199.11206	2.4
205.12094	2.6
209.11638	10.9
211.13255	58.6
219.13866	2.3
227.12762	97.7
229.14371	2.7
231.13837	2.7
247.13229	11.5
249.14862	4.3
267.15863	19.9
283.15384	10.2
321.16956	2.5
337.21619	3.2
339.61423	2.0
383.22183	4.7
401.23154	8.0
471.16245	3.0
475.26328	21.7
493.27829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2791
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03934	5.0
53.32879	1.3
55.01864	15.8
55.05503	38.0
57.03433	15.8
57.07046	1.6
59.04994	3.6
65.03938	3.4
67.05494	48.5
69.03418	5.4
69.07044	10.9
70.66766	4.3
71.01328	2.5
71.04988	12.8
79.05481	52.6
81.03407	80.6
81.07047	55.0
83.01334	8.3
83.04972	29.4
83.08611	39.9
85.02415	2.3
85.02897	37.0
85.06519	3.3
91.04885	1.7
91.05469	50.1
93.07031	53.9
95.04958	39.2
95.08587	26.5
97.02859	7.8
97.06526	11.7
97.10157	7.2
99.04423	3.6
105.07018	39.5
107.04944	19.8
107.08579	24.3
109.06507	14.4
109.10158	6.4
111.04438	9.2
111.08071	14.7
113.06003	3.3
115.05453	3.0
117.07001	12.2
119.04885	1.7
119.08569	30.1
121.06482	7.9
121.10131	18.2
123.08062	13.5
123.11727	3.1
125.06018	2.7
125.09612	4.3
128.06126	1.4
129.06969	12.6
130.07756	1.7
131.08542	17.8
133.06493	4.5
133.10088	11.5
135.08054	4.0
135.11664	15.3
137.09589	3.8
139.07556	1.9
142.07758	3.5
143.08536	2.5
145.06438	2.0
145.10112	22.4
147.08046	6.1
147.11662	13.6
149.09648	8.6
151.11250	2.0
153.12726	5.4
155.08546	2.4
157.10098	16.1
163.11160	39.8
165.08989	1.7
165.12712	5.6
167.07059	2.3
171.07790	1.5
173.09601	4.3
175.11188	14.8
181.12204	6.2
186.45822	1.5
186.47653	1.3
189.11029	1.9
191.10684	3.9
193.12215	69.6
194.72054	1.4
209.11676	11.2
211.13275	70.1
219.59932	1.6
227.12749	5.0
229.90640	1.8
243.81366	1.5
249.15053	1.6
267.15701	2.8
383.22092	2.9
401.22995	2.9
461.29224	1.9
475.26425	3.0
493.27835	100.0
494.28448	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	493.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01860	3.0
55.05504	7.7
56.96559	2.1
57.03432	1.4
64.45111	1.3
65.03924	2.2
67.05501	21.9
68.50333	1.1
69.03417	5.0
69.07061	7.8
69.99785	7.0
70.31544	1.1
71.04972	4.2
79.05483	15.0
81.03408	9.1
81.07043	25.4
81.07504	1.9
83.04996	6.1
83.08604	4.4
85.02879	2.3
85.06516	4.0
88.41386	1.3
91.05464	18.5
93.07030	17.0
94.04197	1.9
95.04970	9.6
95.08588	30.3
97.02872	1.2
97.06519	3.4
97.10141	3.6
98.20754	2.5
99.08046	1.9
101.06012	1.7
102.17825	1.0
103.05480	6.1
105.07025	13.5
107.04955	5.0
107.08587	14.1
109.06514	5.6
109.10139	19.7
111.04472	6.3
111.08075	2.3
113.06001	1.8
117.07034	3.1
119.04939	8.3
119.08567	9.1
120.05247	3.6
121.06477	4.3
121.10115	10.3
122.03674	2.5
123.04405	4.4
123.08054	15.5
123.11674	6.9
125.05972	3.4
125.09606	4.6
127.03918	2.2
127.11207	1.3
129.05556	1.3
129.07018	3.8
131.04895	5.9
131.08514	7.5
133.06514	1.6
133.10101	7.0
135.04419	1.8
135.08018	6.0
135.11694	4.6
137.05954	37.7
137.09583	6.3
137.13246	2.0
139.07565	2.2
139.11179	2.8
141.09102	1.9
143.08597	2.9
145.06506	1.9
145.10124	7.4
147.04385	32.3
147.08072	2.0
147.11673	7.9
148.04729	15.7
149.05928	2.6
149.09581	4.7
149.13283	2.6
151.07521	100.0
151.11142	2.9
152.07906	2.2
153.05464	4.3
153.12708	1.9
157.10109	2.4
159.08069	2.5
159.11708	3.2
161.05963	5.1
161.09616	3.7
161.13239	2.2
163.07504	10.1
163.11214	5.7
165.05453	2.3
165.09113	12.7
165.12808	2.4
167.07047	4.9
167.08447	2.2
167.10725	1.7
173.09631	4.5
173.13332	1.2
175.07495	2.5
175.11118	3.0
176.08278	1.3
177.09081	11.2
179.10703	2.2
179.27937	1.4
181.12238	1.9
183.10199	2.2
187.09669	2.3
187.11208	3.6
189.09103	4.9
189.11179	1.8
191.10641	29.9
191.12294	2.1
193.12251	3.2
193.87354	1.3
195.08186	1.8
197.04279	1.4
203.10622	3.7
205.08594	1.3
205.12201	12.3
207.10109	3.0
207.13745	1.5
209.11736	4.8
215.10533	2.7
217.12254	1.4
219.13811	1.7
221.05991	1.7
221.18997	1.5
223.09692	1.4
227.10710	1.9
227.12759	2.1
229.12198	1.4
231.13760	1.9
245.11348	1.5
255.10342	1.5
259.17010	2.4
265.14520	2.4
267.15829	1.8
283.15317	1.6
285.18533	1.8
287.12921	2.4
289.18027	1.3
297.11490	1.6
303.19476	3.5
311.12454	1.4
328.35736	1.4
343.15335	1.5
355.22754	1.6
365.20416	2.6
383.22137	2.9
395.20853	3.3
401.22983	2.5
411.28735	3.2
413.22128	2.0
421.27408	1.8
429.30011	4.3
439.28723	3.8
457.29459	4.5
475.26178	1.9
475.31360	2.2
493.17276	2.4
493.27057	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	493.3155
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
53.03932	9.4
53.89133	2.9
55.01859	12.9
55.05507	46.1
56.02641	3.4
57.03429	16.0
57.07054	3.6
59.04987	20.1
65.62022	3.3
67.05497	74.9
69.03422	14.5
69.07060	32.2
71.01363	5.0
71.04982	17.1
79.05039	4.9
79.05482	67.8
81.03409	71.8
81.07050	100.0
83.01346	5.1
83.04974	33.7
83.08614	40.4
85.02900	24.0
85.06551	7.8
91.05470	61.5
93.07040	65.5
95.04956	38.8
95.08598	49.7
97.02889	7.2
97.06524	17.7
97.10162	20.9
98.20708	11.2
99.00816	10.4
99.04469	10.0
99.08095	4.0
101.42927	2.9
105.07016	47.8
107.04939	19.5
107.08588	47.6
109.02853	3.7
109.06528	19.0
109.10146	30.8
111.04449	10.6
111.08057	14.0
115.05441	5.8
117.07017	15.9
119.08557	27.3
121.06503	9.8
121.10117	25.6
123.04452	3.6
123.08052	12.7
123.11678	9.9
125.05988	8.0
125.09608	15.0
128.06256	3.6
129.07028	14.9
131.04915	3.3
131.08522	20.4
133.06474	7.4
133.10110	21.8
135.04378	2.9
135.08022	8.8
135.11671	23.9
137.05986	5.8
137.09587	8.9
139.07489	5.4
142.07774	3.7
143.08548	8.0
145.06441	3.8
145.10101	24.7
147.08025	11.3
147.11674	23.6
149.05945	4.5
149.09630	13.5
149.13258	4.4
151.07542	9.5
151.11249	6.2
153.05466	9.8
153.09105	3.2
153.12755	5.9
155.08540	3.4
157.10130	19.7
159.08051	5.5
159.11674	10.3
161.05968	6.9
163.07449	3.9
163.11148	27.4
165.12804	4.6
167.07034	9.2
171.11739	3.6
173.09625	8.0
175.07500	6.1
175.11186	13.5
177.05447	6.0
177.09027	3.8
179.10674	3.6
181.04950	21.9
181.12234	7.9
183.06493	7.1
189.09105	15.8
189.11145	8.0
191.10645	9.2
193.12224	53.3
195.06511	41.8
195.08163	4.0
201.09129	4.1
203.10646	3.5
205.12234	4.6
207.06520	3.7
209.08069	25.3
209.11668	6.5
211.13243	46.9
217.12195	4.8
223.09625	24.8
227.12622	16.8
235.09563	7.8
237.11157	19.8
243.10081	5.1
249.11156	7.7
251.12802	9.0
263.12759	4.4
265.14313	7.9
267.15878	8.6
283.15601	4.4
283.65082	3.5
319.19260	4.1
355.22705	5.7
359.22604	3.2
365.21017	4.5
369.24243	5.3
373.23697	4.7
383.22183	17.3
386.45007	3.2
387.25250	7.5
389.27017	4.6
391.24811	23.6
394.94907	3.7
401.23105	9.4
413.30527	7.9
419.24069	3.8
429.64398	3.4
439.28107	5.1
443.27585	3.9
447.25851	4.1
457.29681	56.6
461.28864	11.7
465.27765	3.4
475.30789	77.5
493.27136	37.4
493.31497	63.4
494.28241	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	493.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66551	3.5
50.72498	3.7
53.03940	14.9
55.01871	12.2
55.05502	49.8
57.03428	11.1
57.07089	3.7
57.09341	3.5
59.04978	9.1
59.83852	4.3
65.03926	6.1
67.05495	100.0
69.03410	8.9
69.07064	29.9
69.27144	12.0
69.27562	30.5
70.86498	4.4
71.04987	23.3
79.05488	89.8
79.95321	3.6
81.03400	43.6
81.07046	94.1
83.04974	21.8
83.08617	25.0
85.02898	9.2
85.06535	11.6
91.05469	91.6
91.06004	6.7
93.07032	87.8
95.04948	46.9
95.08597	54.5
97.02916	6.1
97.06531	19.9
97.10158	36.6
105.07024	63.2
107.04961	8.5
107.08582	52.2
109.06517	21.0
109.10146	23.2
111.04441	11.1
111.08086	13.1
112.10201	4.3
115.05482	7.9
117.07001	36.1
119.08569	48.8
121.06488	12.3
121.10112	29.9
123.08047	15.7
123.11677	6.2
125.09653	17.5
127.07513	5.6
128.06221	11.1
129.07022	30.8
131.08566	61.1
133.06488	8.1
133.10121	35.4
135.08076	15.5
135.11716	12.1
137.09660	8.0
139.07520	5.2
141.06950	8.8
142.07751	6.9
142.15096	4.8
143.08553	34.5
145.06436	6.2
145.10112	35.9
147.08035	15.8
147.11668	28.0
149.09599	18.0
149.13301	5.1
153.12794	5.1
154.07829	4.7
155.08560	18.2
157.10110	28.3
159.08043	11.3
159.11699	14.1
161.09628	11.8
161.13210	7.8
163.11209	14.8
165.12733	4.4
167.08669	5.1
169.10120	11.4
171.08092	5.6
171.11690	15.7
173.09631	9.9
173.13225	11.5
175.11258	13.5
179.08510	7.7
181.10153	12.3
181.12215	5.6
183.11705	16.2
185.09590	9.1
185.13206	7.5
187.11168	6.5
187.14856	6.3
189.11244	10.6
189.12778	5.8
193.10448	7.1
193.12238	22.1
197.09628	5.5
197.13321	8.6
199.11150	6.1
199.14844	9.2
201.12755	6.8
203.14355	11.2
209.11629	5.6
209.13379	6.0
211.13326	11.7
213.09052	5.3
217.15964	9.9
221.13206	7.3
221.15257	6.9
223.11102	7.5
223.14793	5.1
225.09103	4.6
225.12816	6.2
225.14832	5.4
227.12791	11.3
233.15399	9.5
237.12788	5.7
251.16376	7.2
257.23099	4.4
265.12302	4.6
267.15909	5.3
283.15295	4.6
311.12619	4.1
323.23676	7.2
341.24774	6.1
351.23187	14.8
369.24289	28.8
387.25195	26.1
405.26443	11.0
418.44211	5.1
419.27783	5.3
433.27402	17.2
435.27319	10.0
437.28860	20.6
443.28006	12.6
447.25436	5.8
461.28925	61.0
475.24634	8.2
475.30740	10.2
493.25693	26.7
493.32376	91.5
494.32013	7.9
507.10345	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	493.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68102	1.4
53.71273	1.2
55.05505	5.8
57.03429	1.6
65.03920	1.3
67.05495	12.1
69.03405	2.4
69.07048	4.2
71.04984	2.4
71.54839	2.3
79.05494	6.4
81.03416	3.8
81.07057	12.4
82.78931	1.4
83.04975	3.7
83.08613	3.8
85.02896	1.5
85.06529	3.7
91.05473	6.3
93.07032	9.0
95.04950	6.6
95.08594	22.6
99.04461	1.8
103.05441	1.8
105.07015	6.8
107.04941	2.3
107.08600	5.2
109.06501	2.6
109.10140	10.7
111.04425	4.1
111.08070	3.2
113.06006	2.3
119.08557	5.0
121.06492	2.7
121.10137	3.7
123.04464	1.8
123.08051	14.0
123.11703	3.4
125.09607	3.2
129.06909	1.6
131.04848	1.7
131.08594	3.0
133.10138	3.9
135.08043	3.1
135.11702	2.3
136.45050	1.1
137.05997	5.8
137.09628	4.3
138.76596	1.5
139.07547	2.7
139.11166	1.4
141.09094	3.7
145.10117	3.3
147.11684	2.8
149.09587	2.7
151.07529	100.0
152.07898	2.6
153.05576	1.3
155.10762	1.7
157.08575	1.7
157.10007	1.6
158.71605	1.3
159.11674	1.5
161.09622	1.8
163.07498	1.8
163.11206	4.3
165.07036	1.9
165.09125	11.3
166.09454	1.8
167.07004	3.0
173.09621	2.7
175.07538	1.9
175.11143	4.2
176.08347	2.2
177.09131	9.7
187.09673	3.1
189.09109	3.7
189.12798	1.7
189.16217	1.5
191.10657	32.0
193.12161	2.7
195.10126	1.4
201.12767	1.9
203.10674	3.8
203.55486	1.2
205.12196	11.2
209.11703	2.0
215.10773	1.8
229.12224	1.8
231.13922	2.0
247.13156	1.4
261.44037	1.2
297.47809	1.3
303.19464	4.0
330.22366	1.3
383.22177	1.9
411.28720	4.2
429.30026	5.2
439.28751	1.4
443.00278	1.3
457.29694	2.3
475.25925	1.5
493.27585	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	493.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01856	1.3
55.05505	4.6
57.03422	1.0
57.07043	0.7
65.03911	0.8
67.05499	11.6
69.03423	1.6
69.07057	3.2
70.47394	1.9
71.04974	2.1
71.16748	0.7
79.05474	5.6
81.03384	2.6
81.07050	13.0
83.04958	2.5
83.08613	2.6
85.02875	1.2
85.06538	2.6
91.05465	5.9
91.84054	0.7
93.07053	7.5
94.04188	0.9
95.04955	4.8
95.08595	20.8
97.06519	1.6
97.10153	1.2
99.04430	0.7
99.08109	0.9
103.05431	0.9
105.07029	6.0
107.04919	1.8
107.08575	5.1
108.05746	1.2
109.06499	2.1
109.09428	1.2
109.10145	15.9
111.04438	2.9
111.08092	1.6
111.89160	0.7
115.05365	0.8
116.63187	0.7
117.07007	1.6
119.04936	3.8
119.08598	4.2
121.06504	2.3
121.10143	3.9
122.03606	1.5
123.04372	0.8
123.08057	11.5
123.11685	4.2
125.05994	1.0
125.09640	1.6
129.06989	1.4
129.09071	0.9
131.04901	1.7
131.08539	2.6
133.06465	0.7
133.10098	2.7
135.08018	4.0
135.11736	3.1
137.05956	14.5
137.09602	4.1
139.07547	1.2
139.11154	1.9
140.30437	0.6
141.09068	1.0
143.08493	1.1
145.10094	3.0
147.04396	15.6
147.08098	1.6
147.11674	2.7
148.04729	7.3
149.09593	2.4
149.13182	1.1
151.07526	100.0
152.07866	1.9
153.05424	0.9
155.10637	1.6
157.08533	0.9
157.10066	0.9
159.08093	0.7
159.11659	1.9
161.06003	0.9
161.09592	2.0
161.13243	1.1
163.07567	2.5
163.11153	3.3
165.05504	1.8
165.09094	9.6
166.09409	1.1
167.07022	2.8
167.08461	1.0
167.10632	0.7
173.09581	2.4
173.11758	1.6
173.13187	0.7
175.07503	1.7
175.11195	2.3
176.08292	2.0
177.09094	12.1
183.10162	1.5
185.11705	0.7
187.07597	1.0
187.11212	1.4
187.14798	0.7
188.08252	1.0
189.09096	3.7
189.12726	1.6
190.09912	1.3
191.10649	32.2
193.08604	0.9
193.12120	1.2
199.11200	1.2
201.09200	1.2
201.11186	1.6
203.10641	2.7
203.14240	0.6
205.08463	1.0
205.12207	14.0
207.10066	0.8
209.11732	2.0
211.13306	0.8
215.10698	2.1
217.12228	1.7
221.11649	0.9
229.12170	1.7
231.13857	2.6
237.11346	0.7
243.13538	0.7
253.04932	0.7
255.10295	0.9
259.16925	1.7
273.18469	1.7
285.18491	1.2
287.12769	1.1
289.17880	1.9
303.19403	3.9
313.14279	0.8
365.20486	1.5
393.27600	1.1
401.23450	0.9
411.29132	3.1
413.21820	1.0
429.30032	5.2
439.28107	1.8
457.29526	3.0
475.25912	1.3
475.31247	1.2
493.28397	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	493.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.05500	16.7
57.03406	8.0
57.06815	3.0
57.07069	45.8
64.34924	1.9
65.03913	2.7
67.05159	3.2
67.05495	51.0
69.07059	21.6
70.77108	4.7
70.77441	2.1
71.01318	5.5
71.04980	3.1
71.08215	2.2
71.08621	34.7
75.02112	1.8
78.91927	2.0
79.05481	36.0
81.03385	6.9
81.07051	40.5
83.04967	7.4
83.08614	18.0
85.06515	2.1
85.10175	17.2
91.05465	18.6
93.07030	41.0
95.04932	5.9
95.08595	33.4
97.06519	9.9
97.10137	16.8
99.08098	2.1
105.06998	4.6
107.08585	25.1
109.10142	17.0
111.11726	2.4
119.08553	4.6
121.10109	4.5
123.11692	6.1
135.11664	48.8
137.13232	2.5
145.10078	5.6
163.11197	4.8
165.16400	2.9
181.12172	12.8
199.13268	2.4
239.23705	11.1
422.47052	2.2
493.31357	3.6
493.38776	100.0
494.39169	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	495.1129
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03424	0.6
61.02635	0.4
61.02922	5.7
65.03940	0.2
67.05486	0.3
68.99776	0.6
69.03412	1.8
71.53628	0.4
73.02924	1.5
79.05464	0.3
81.03406	0.9
81.07056	0.4
82.15632	0.3
83.04965	0.3
85.02895	6.9
86.09727	0.3
91.03941	2.8
91.05460	0.4
93.07019	0.3
95.08590	0.4
97.02890	2.7
99.04424	0.4
105.07011	0.5
109.02848	1.1
111.00761	1.0
120.08095	0.3
121.02867	0.3
121.06493	0.5
123.04410	0.6
127.03901	0.9
133.10104	0.3
137.02328	1.3
137.05959	0.5
138.05467	0.4
139.03889	2.6
139.93024	0.3
145.04887	0.7
147.04398	0.6
151.03966	0.4
151.07492	0.5
153.01810	6.7
153.05449	0.4
155.36159	0.3
161.05949	0.4
165.01846	2.0
166.02605	0.8
167.03363	1.9
179.03383	0.8
181.62779	0.3
183.02893	0.6
189.05443	0.6
189.08971	0.3
193.04956	0.7
195.02856	0.3
199.03915	0.5
203.03473	0.4
205.04933	0.4
206.05698	0.3
208.03632	0.5
216.04088	0.3
217.04897	2.7
219.02879	3.9
227.03548	0.3
229.05006	0.3
231.06380	0.3
233.04446	1.8
234.05153	0.5
241.04695	0.4
243.02972	0.4
244.03653	1.7
245.04428	3.9
247.02368	0.5
254.91998	0.3
255.02797	0.3
259.06073	1.0
261.03922	0.7
273.03922	3.9
277.07065	1.1
287.05496	1.1
289.03391	2.4
290.04071	1.6
300.02713	0.4
301.03381	6.2
302.03922	0.3
304.05734	0.6
315.04965	0.4
318.03653	9.2
319.04282	0.4
333.06000	100.0
334.06293	2.5
345.06067	0.9
357.06143	0.5
375.06982	1.3
399.07037	0.9
457.61783	0.3
468.71381	0.3
495.17975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1128
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.05491	0.4
57.03416	0.6
61.02922	5.1
68.99789	0.6
69.03419	1.4
70.56087	0.3
71.38693	0.7
73.02903	1.6
81.03412	0.7
85.02895	5.7
91.03951	2.6
97.02884	3.3
99.04421	0.4
105.07028	0.4
107.80502	0.3
108.02077	0.4
109.02856	1.1
111.00761	0.9
111.04407	0.4
121.06546	0.3
123.04402	0.5
123.39299	0.3
127.03926	1.2
137.02316	1.0
137.05946	0.6
138.03185	0.3
139.03860	2.9
145.04916	0.8
147.04359	0.4
153.01804	7.0
153.02971	0.5
161.09541	0.4
163.45847	0.3
165.01788	1.8
166.02596	0.6
167.03369	1.7
167.11923	0.3
170.13420	0.3
179.03424	1.0
179.71669	0.3
183.02831	0.6
189.05431	0.6
193.04950	0.7
205.04869	0.4
206.05840	0.4
208.03618	0.6
213.05598	0.3
216.04146	0.7
217.04987	2.5
219.02826	2.8
233.04446	1.8
234.04976	0.6
241.04773	0.5
244.03726	1.4
245.04420	3.5
247.02464	0.6
255.02821	0.6
259.06024	0.9
261.03918	1.0
270.50006	0.3
272.02982	0.4
273.03912	3.6
277.07040	1.2
287.05450	1.1
289.03342	2.4
290.04242	1.7
300.02731	0.4
301.03439	5.6
304.05853	0.8
315.04926	0.5
318.03674	9.7
333.06003	100.0
334.06430	2.5
345.06030	1.3
357.05991	0.4
375.07153	1.0
399.07043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53814	1.8
55.01856	4.0
56.96556	10.1
65.03930	4.6
67.05482	4.1
69.03415	6.7
70.01786	8.9
70.90784	1.9
79.05461	4.1
83.04939	9.2
85.02884	7.2
89.03914	4.7
91.05471	8.2
93.03360	4.5
93.34182	1.6
95.01306	4.2
95.04958	7.7
97.02882	4.4
98.20782	2.1
98.97572	57.3
103.05448	5.4
105.07013	29.0
107.04940	21.5
109.02873	5.6
111.04418	10.3
115.05443	4.1
115.55821	1.8
116.98601	38.7
117.03367	5.2
117.07014	6.7
119.04906	15.8
121.02849	6.8
121.06505	1.8
124.72572	1.9
127.03873	4.4
128.06155	1.7
128.98538	2.2
129.05472	3.9
129.06999	3.0
131.04916	33.7
133.06474	99.5
134.99641	17.2
135.04402	11.1
139.03900	10.2
143.00151	2.4
145.02864	7.1
145.06447	16.4
146.99638	2.6
147.04404	52.0
147.08000	5.0
149.05977	16.5
153.06964	3.3
155.08542	5.3
157.05006	3.8
157.06445	10.1
158.03566	4.9
158.99634	28.6
159.04396	100.0
160.07529	5.2
161.01210	4.4
161.05971	21.0
163.03880	48.7
164.04190	7.6
165.05614	3.1
165.06956	11.5
167.08549	5.5
171.04413	2.3
171.08002	3.8
173.05983	10.5
175.07571	2.7
177.00684	42.7
177.04057	1.9
177.05481	29.3
177.06908	3.3
181.06419	3.3
183.08011	17.3
185.06004	2.8
185.09644	3.5
189.00674	3.0
189.05431	47.5
191.06984	2.8
193.06589	3.5
195.01732	2.9
195.08035	7.0
197.05943	5.5
200.02283	3.4
201.05473	30.1
203.06975	5.1
211.07503	16.4
213.09102	4.7
219.01762	25.2
219.06476	24.5
221.02997	2.3
221.05954	4.7
223.07591	5.7
225.05537	3.6
228.42824	2.0
229.08507	3.2
237.00700	2.0
237.02776	3.1
239.07008	15.0
249.03004	2.2
249.05333	9.3
257.04327	1.9
257.08014	7.1
267.04077	2.2
267.06528	14.2
273.02768	2.9
275.09140	8.1
285.07510	11.7
303.08606	83.1
321.09167	31.9
431.13004	2.5
448.20755	2.2
477.13571	15.1
486.51511	1.9
495.14743	4.8
497.78268	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	495.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06150	1.2
53.03938	3.5
55.01863	4.2
55.05502	14.3
57.03417	1.8
57.07059	1.3
59.04993	6.9
65.03928	2.6
65.58183	1.3
67.05497	36.5
69.03432	2.9
69.07058	11.8
69.18115	16.1
69.18533	2.5
71.01329	2.2
71.04983	4.4
77.21487	1.4
79.05487	18.9
79.37124	1.4
81.03409	2.5
81.07047	48.6
83.04967	11.7
83.08610	5.2
85.06526	3.5
86.09686	2.0
91.05469	20.8
93.07029	31.4
95.04956	9.5
95.08594	100.0
97.06506	5.2
97.10133	2.9
98.21531	2.3
99.00821	9.0
99.04433	2.8
103.05433	1.9
104.10738	5.2
105.07018	35.3
107.04960	5.4
107.08578	28.1
109.02822	2.4
109.06490	21.7
109.10138	16.4
111.04446	5.2
111.08070	11.2
113.05969	2.3
115.05462	4.2
117.07013	11.2
119.08561	25.8
121.06503	8.6
121.10132	16.2
123.04434	2.8
123.08054	23.2
123.11707	6.3
127.07560	1.4
128.06204	4.1
129.07007	9.8
130.07822	1.9
131.04916	2.4
131.08553	23.9
133.06473	5.5
133.10115	17.4
135.08002	7.5
135.11676	10.3
137.03648	1.7
137.05957	60.9
137.09564	5.0
139.07532	4.5
141.06979	5.6
141.09096	16.9
142.07730	7.3
143.08537	19.3
144.05693	2.1
144.09323	3.2
145.06433	10.8
145.10101	37.8
146.10861	1.8
147.08018	7.8
147.11632	10.2
149.09616	5.9
149.13268	4.4
151.11115	2.3
155.07140	2.6
155.08527	11.4
155.10608	3.7
156.09332	5.4
157.10083	27.2
158.07239	3.3
158.10745	1.7
159.08022	18.6
159.11673	23.1
161.05943	2.4
161.09610	13.2
161.13231	6.3
163.11108	6.9
165.06966	3.1
167.08537	5.2
168.09335	3.2
169.10118	11.5
170.10881	2.1
171.08041	2.3
171.11670	13.5
172.08806	1.8
173.09595	13.6
173.13252	14.7
175.07538	1.5
175.11200	6.2
175.14885	2.8
177.12733	6.6
179.08527	2.1
179.10715	2.3
179.14314	2.2
181.10059	8.7
182.10895	3.3
183.08134	1.8
183.11673	20.8
184.07327	5.5
184.35707	1.8
185.09616	4.8
185.13232	12.0
186.14160	1.9
187.11098	7.1
187.14816	6.4
189.12723	4.6
189.16364	2.7
193.10059	2.4
195.11739	7.7
197.09569	3.3
197.13205	13.0
198.14063	2.1
199.11198	6.3
199.14731	12.4
200.12001	6.5
201.12709	19.8
201.16368	4.6
203.14342	2.1
209.09569	1.8
209.13280	9.1
211.14769	7.5
213.12749	5.0
213.16359	5.5
215.14323	4.3
217.15800	1.9
219.11641	2.1
221.13260	3.0
223.14815	5.4
224.15622	1.9
225.12823	1.4
225.16412	3.1
227.14339	4.7
229.15936	2.7
229.19527	4.8
235.16934	1.6
237.16368	3.1
239.14272	2.6
239.17897	13.1
240.18628	1.6
241.15933	2.7
241.19551	2.4
247.17004	1.6
249.12755	1.9
251.17984	3.2
255.17336	2.6
256.18103	2.2
257.18884	7.5
265.19507	2.2
269.19000	3.2
277.19440	2.1
279.13565	1.6
280.21585	2.2
283.20670	4.0
295.20651	2.0
297.18387	5.9
305.18893	2.7
313.21613	2.6
315.19510	2.0
323.20148	8.8
323.23364	1.8
341.21051	64.3
351.26886	3.2
354.18182	4.2
355.19058	3.9
359.22058	5.9
361.25345	3.2
369.27954	3.1
379.26257	22.1
391.22623	2.3
396.26700	3.6
397.27277	16.0
437.23019	1.7
477.26163	2.7
495.27304	37.8
495.33746	2.3
496.27243	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	495.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	14.1
55.01845	19.0
55.05505	37.8
56.96553	8.4
57.03441	11.1
57.07050	4.7
59.04978	5.6
61.02922	5.7
65.03938	6.7
67.05495	90.2
67.43423	4.6
69.03413	14.2
69.07066	27.5
70.14530	7.0
70.14806	26.2
71.04978	9.8
72.21213	4.9
77.61520	4.8
79.05476	61.3
81.03417	28.7
81.07047	100.0
83.04959	22.2
83.08608	16.8
85.02874	13.6
85.06519	7.3
85.57170	4.8
91.05469	95.7
93.07034	90.8
95.04940	37.6
95.08593	91.4
96.90831	4.8
97.02850	9.1
97.06504	23.5
97.10157	10.3
98.21371	6.5
105.07019	49.0
107.04930	12.6
107.08577	59.1
109.06528	26.8
109.10128	28.7
111.04401	12.8
111.08070	21.3
112.03758	5.6
115.05383	6.3
115.75732	4.8
116.50519	4.5
117.06992	22.3
118.76263	4.8
118.87885	5.7
119.04955	6.0
119.08569	47.8
121.06486	19.5
121.10125	43.9
121.75674	6.7
123.08064	33.1
123.11621	6.8
125.09620	9.2
128.06212	9.2
129.06992	20.3
130.07777	5.1
131.08568	38.9
133.06439	7.5
133.10112	30.0
135.08011	18.9
135.11685	17.0
137.05963	9.3
137.09570	13.7
139.07527	6.2
141.05402	5.4
141.06937	15.8
142.07777	12.9
143.08557	18.5
145.06479	11.0
145.10097	32.3
147.08058	11.4
147.11646	19.5
149.09557	10.4
149.13235	20.0
153.06902	9.7
154.07755	8.8
155.08585	10.6
156.09312	17.0
157.06490	12.5
157.10135	21.8
159.08044	15.8
159.11642	21.1
161.09578	13.3
161.13216	9.1
163.11179	19.6
165.06996	16.4
165.09053	9.0
166.07788	9.6
167.08551	16.5
169.10094	19.4
171.07993	11.7
171.11641	13.9
173.09605	15.5
175.11215	18.9
179.08479	8.8
181.06442	10.7
181.10051	11.2
183.07973	9.7
183.11670	10.7
185.09581	7.4
187.11156	19.4
189.12718	23.2
191.08562	5.6
191.10626	6.1
192.09290	14.7
193.10129	14.2
193.12202	16.0
195.08005	10.7
195.11684	16.2
195.13806	8.3
197.09589	23.1
197.13228	12.1
199.07614	6.3
199.11140	10.9
201.12669	12.7
206.10802	6.8
207.08051	6.5
207.11653	15.3
209.09616	16.6
209.11494	10.6
209.13243	15.1
211.11269	13.1
211.13235	23.5
217.10114	8.5
217.12128	7.4
218.10829	6.3
219.08028	5.8
219.11737	9.3
219.13756	6.7
220.08751	8.4
221.09618	9.0
221.13206	11.6
223.11227	13.6
225.09061	9.8
227.10709	6.8
231.11687	14.3
233.09570	11.4
233.13286	9.2
235.11143	24.2
236.12039	5.6
237.12799	12.9
241.12192	6.0
243.10025	9.3
244.12604	6.8
245.13611	6.6
247.11153	7.5
249.12720	10.5
249.16534	8.4
251.14297	11.7
253.12263	13.0
260.11810	8.5
263.14178	10.4
267.08942	9.4
267.13477	6.6
269.10532	5.8
269.17438	7.0
275.14169	8.6
277.12350	9.1
277.15613	8.9
279.13751	7.1
285.10059	13.1
289.15738	7.6
293.15341	7.0
295.13263	14.2
303.17050	6.6
305.15506	8.0
309.18405	6.8
359.19858	10.5
401.21057	21.2
413.25089	8.3
417.24451	6.7
419.22079	57.5
431.25668	11.3
437.23480	12.0
441.24228	10.4
449.27002	11.3
459.25281	53.5
477.26300	80.8
495.28189	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	495.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21777	3.4
53.03945	7.9
55.01865	17.6
55.05503	39.3
57.03424	10.5
57.07067	5.1
59.04992	7.1
65.03346	2.9
65.03932	4.2
67.05494	100.0
69.03428	5.9
69.07055	22.3
71.01343	3.1
71.04972	7.5
79.05480	48.5
81.03415	15.5
81.07048	85.3
83.04957	22.1
83.08607	19.3
85.02885	4.8
85.06516	3.3
87.96490	2.5
91.05470	48.0
93.07035	55.9
95.04963	19.6
95.08596	98.1
97.06513	11.6
97.10165	8.0
98.07336	3.3
98.20694	7.1
99.00828	7.3
99.04404	4.7
103.05432	3.1
105.07015	41.9
107.04909	7.1
107.08582	43.0
108.46835	3.2
109.06483	20.6
109.10148	41.8
111.04424	7.3
111.08067	15.6
115.05363	4.2
117.07002	12.2
119.08562	31.5
121.06461	5.6
121.10139	22.7
123.04420	3.5
123.08040	23.2
123.11692	9.0
125.09616	8.4
128.06229	6.9
129.06975	11.1
130.07748	5.5
131.08556	29.7
133.06511	5.9
133.10121	23.4
135.07964	6.7
135.11671	14.9
137.05946	46.1
137.09554	6.0
139.07558	4.3
141.06854	3.2
141.09087	13.5
142.07791	6.2
143.08534	15.9
145.06482	11.9
145.10097	32.3
147.08020	6.4
147.11667	16.6
149.09628	7.5
149.13200	11.2
151.11111	3.9
153.12717	3.3
155.08557	14.5
156.09325	5.5
157.10126	21.8
159.08069	17.5
159.11711	25.9
161.09570	13.5
161.13290	4.4
163.11160	9.4
167.08614	3.7
169.10107	8.5
171.06572	3.7
171.08031	4.2
171.11668	11.2
172.08736	4.3
173.09610	11.0
173.11841	6.1
173.13245	14.6
175.11154	9.3
177.12775	8.4
181.10117	8.4
181.12291	3.5
183.11676	14.1
185.09662	4.9
185.13173	7.3
187.11189	6.0
187.14812	5.5
189.16380	3.4
193.10155	3.7
193.12242	4.5
195.11613	7.6
195.13774	6.5
197.09650	4.5
197.13216	10.8
199.11189	3.5
199.14824	9.4
201.12767	16.3
209.13368	3.4
211.14912	4.2
213.16406	3.7
223.14867	4.6
225.12744	4.1
225.16296	3.3
227.12701	5.7
239.17836	7.3
257.18942	5.6
279.17242	3.5
283.15451	5.2
283.20389	3.8
323.19766	4.7
341.21100	56.3
359.22070	3.5
363.23578	3.5
379.26154	16.4
397.27267	10.3
423.27277	13.5
477.26672	5.4
495.28870	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2737
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
50.99149	3.2
53.03928	8.5
55.01855	11.0
55.05505	25.6
57.03414	7.9
57.07056	4.4
61.02890	3.3
65.03932	4.7
67.05498	63.8
69.03420	11.0
69.07069	19.2
71.04978	7.5
79.05486	44.1
81.03397	13.5
81.07046	64.1
83.04972	27.3
83.08588	17.3
85.02876	5.8
85.06584	4.0
90.03246	3.3
91.05473	50.0
93.07034	64.9
95.04955	23.3
95.08593	100.0
97.02856	4.1
97.06510	10.3
97.10172	3.0
98.21538	4.6
99.04426	4.7
105.07015	43.3
107.04919	8.8
107.08575	50.8
109.06525	16.6
109.10135	31.6
111.04427	15.3
111.08057	17.9
113.05981	5.2
115.05492	4.2
117.07001	15.0
119.04967	4.5
119.08566	37.6
121.06473	12.4
121.10133	26.2
123.08042	13.2
123.11674	8.8
125.05945	3.0
125.09622	6.9
128.06200	11.6
129.06990	16.6
130.07663	3.2
131.08548	28.2
133.06459	8.4
133.10101	34.7
135.08009	6.4
135.11670	13.7
137.05960	9.9
137.09627	7.0
139.07510	9.0
141.06950	11.8
142.07747	12.5
143.08566	33.0
144.09270	4.6
145.06441	6.3
145.10097	39.9
147.08031	10.6
147.11684	14.6
149.05919	4.4
149.09595	7.9
149.13216	9.4
151.11160	4.3
153.06958	7.1
154.07747	9.8
155.08542	23.6
156.09325	10.5
157.06491	5.9
157.10130	28.8
158.07234	5.5
158.10892	8.0
159.08000	14.2
159.11682	36.0
161.09625	9.8
161.13277	5.5
163.11176	3.6
165.06961	7.8
166.07678	3.5
167.07088	5.3
167.08521	7.7
168.09319	5.1
169.10086	33.5
171.08028	10.7
171.11626	22.0
172.08839	4.8
173.09579	22.3
173.13237	12.6
175.11182	10.3
177.12764	3.6
178.07803	4.1
179.08568	8.8
181.10123	9.0
182.10834	4.8
183.08029	19.2
183.11639	10.9
185.09578	14.1
185.13162	4.8
186.10440	7.9
187.11205	17.5
187.14804	7.1
189.12689	4.2
191.10652	4.1
193.10138	10.3
193.12080	3.4
195.08051	4.7
195.11685	15.9
195.13643	5.5
197.09581	29.1
197.13246	10.4
199.07481	4.4
199.11174	30.0
199.14786	3.8
201.09062	13.0
201.12724	11.8
201.49957	2.9
205.10109	3.8
207.11600	8.0
208.08607	2.8
209.09554	7.3
209.13261	6.0
210.10519	3.6
211.11301	7.1
211.13176	5.9
211.14943	3.8
213.09019	7.0
213.12692	7.3
215.10648	42.1
215.14261	8.6
217.12225	7.9
219.11717	5.0
219.13734	8.5
221.09552	4.8
221.13216	6.3
223.11188	6.6
223.14825	7.0
225.09091	18.3
225.12709	3.4
227.10687	9.0
227.14330	3.3
229.12349	4.9
229.15733	3.5
231.11775	4.4
231.13824	4.4
233.11688	12.5
233.15408	9.9
234.10408	3.6
235.11151	3.6
235.14783	5.7
237.09029	2.8
237.12772	3.8
239.10649	5.7
241.12111	10.4
243.10243	17.9
244.12398	4.1
245.13416	4.9
247.14870	5.2
249.12775	5.0
249.16422	3.7
251.14259	5.1
258.14084	3.5
261.11093	37.7
265.12152	3.9
267.08990	4.5
269.10666	4.0
273.16263	7.6
275.18033	3.5
277.12006	3.6
281.18942	3.8
283.15121	3.4
285.10004	4.4
287.17639	2.9
291.17273	7.7
309.18387	3.1
316.11499	3.6
319.16934	6.9
321.18417	3.1
337.17764	7.4
355.19193	5.5
413.24664	15.2
415.26447	4.4
421.27136	7.8
431.25909	26.9
433.27219	4.5
441.24146	22.6
449.26932	24.4
459.25140	37.7
477.26315	72.0
495.27341	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2738
Annotation	Artesieversin
Peak:m/z	Relative Intensity
53.03936	6.0
55.01863	9.2
55.05505	32.5
57.03427	20.9
59.04972	2.2
65.03942	6.3
67.05495	64.8
67.05858	3.2
69.03421	7.9
69.07054	12.6
71.04986	9.6
79.05481	49.5
81.03404	85.9
81.07045	71.4
83.04977	24.4
83.08604	38.7
85.02895	37.0
85.06549	4.5
91.05464	66.0
93.07023	51.1
93.42796	2.3
95.04955	51.6
95.05536	4.2
95.08587	51.2
95.09138	4.0
97.02886	5.2
97.06529	10.6
97.10143	9.4
98.21581	3.4
99.04430	2.7
105.07018	51.9
107.04929	12.3
107.08573	25.0
109.06493	12.1
109.10155	9.5
111.04466	7.1
111.08065	20.0
113.06026	5.5
115.05449	5.0
117.07016	9.8
119.08564	36.3
121.06465	11.1
121.10139	23.4
123.08081	7.9
123.11726	5.7
125.06018	3.6
125.09601	6.4
127.07539	2.6
128.06236	4.3
129.06966	23.0
131.08543	28.3
133.06512	6.0
133.10107	25.7
135.08109	3.6
135.11713	7.8
137.05988	2.2
137.09639	5.4
139.07510	3.3
141.07001	5.3
142.07811	6.9
143.08600	7.8
145.06474	5.2
145.10089	17.8
147.08066	7.8
147.11673	20.2
149.09604	10.7
149.13226	3.3
154.07724	2.9
155.08554	8.1
156.09355	4.0
157.06567	2.7
157.10106	25.8
159.08061	8.8
159.11720	10.3
161.09644	4.2
161.13290	2.7
163.11191	5.4
165.07083	2.8
165.12787	7.0
167.07098	5.2
167.08514	3.1
169.10170	6.4
171.08125	3.7
171.11700	7.7
172.08823	2.4
173.09669	7.1
173.13252	3.4
175.11168	28.3
179.08502	3.8
183.08047	4.6
183.11745	3.6
185.09642	3.9
187.07445	2.3
187.11201	7.2
187.14772	2.3
189.12746	2.6
192.09467	2.4
193.10374	5.5
193.12221	81.6
195.13887	3.8
197.09674	8.5
197.13365	4.1
199.11209	6.1
201.09212	2.6
201.12770	5.6
209.11620	3.8
209.13318	2.7
211.11336	5.1
211.13255	100.0
212.13594	3.1
215.10698	9.4
215.14268	3.6
217.12276	6.5
225.09084	6.5
229.12244	2.6
233.15390	4.9
235.11153	3.4
235.13240	2.6
239.07072	4.3
243.10110	16.0
245.11720	4.7
267.15979	6.4
277.15891	3.8
285.17111	2.6
295.13321	4.7
313.14301	2.9
420.16559	2.8
431.25870	7.1
449.26761	13.1
459.25323	14.6
477.26373	29.0
495.29382	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.9
54.27179	1.2
55.01847	5.0
55.05501	33.4
57.03434	16.1
57.07063	3.3
59.04975	2.5
65.03906	2.3
67.05496	51.0
69.03406	8.1
69.07057	17.2
69.23045	14.1
71.04994	10.1
71.08658	1.4
71.11719	1.2
75.68732	1.2
77.03912	1.3
79.05483	45.4
80.05820	1.4
81.03410	87.8
81.07048	63.5
82.07359	1.3
83.04971	21.8
83.08613	35.8
85.02895	42.5
85.06528	10.1
91.05469	61.0
91.34989	1.2
93.06461	1.9
93.07032	35.1
95.04955	45.6
95.08602	30.8
97.02827	4.4
97.03406	1.2
97.06504	7.7
97.10150	10.8
98.10963	1.5
99.00763	4.6
99.04430	2.5
99.08030	3.9
100.11206	3.2
103.05437	1.9
105.07020	40.2
107.04944	12.7
107.08582	18.1
109.06503	9.5
109.10133	12.6
111.04399	6.8
111.07442	1.6
111.08063	16.9
113.05952	3.9
115.05422	4.0
117.06953	3.4
119.08562	34.4
121.06467	6.3
121.09438	1.8
121.10126	18.5
123.08015	4.2
123.11703	8.0
125.05961	2.4
125.09586	5.3
127.07519	1.6
128.06175	1.6
129.06992	17.7
131.08546	19.6
131.61435	1.3
133.06444	5.7
133.10109	19.2
135.07997	3.6
135.11624	3.7
137.05885	4.5
137.09541	3.9
137.13171	2.3
142.07698	4.4
143.08505	1.5
145.06480	2.4
145.10059	5.6
147.07974	4.2
147.10608	1.9
147.11667	22.0
149.05879	1.4
149.09616	11.1
149.13226	2.2
151.07446	3.7
151.11064	2.0
153.05420	3.0
157.10106	21.7
159.11650	1.7
161.05894	1.7
161.09615	1.6
163.03851	1.3
163.11099	2.8
165.05421	1.6
165.08995	2.7
165.12750	7.1
167.07059	3.2
169.10112	1.6
171.08003	1.9
175.07512	2.6
175.11185	26.8
177.05467	2.8
181.04910	6.7
183.06488	2.7
189.09100	6.9
189.10910	1.3
191.10582	3.6
193.12224	87.9
194.12575	2.5
195.06509	13.9
207.06418	1.7
209.07985	4.6
211.13274	100.0
212.13556	2.4
219.13728	4.0
223.09587	8.6
237.11209	10.2
249.11035	6.8
251.12708	3.3
263.12747	1.8
267.15811	10.2
285.16757	4.3
289.14365	1.6
291.15616	1.5
293.17255	1.8
305.17377	1.6
307.18652	1.5
317.17035	1.3
359.22110	2.2
375.24973	5.7
379.12421	1.6
385.23581	3.5
403.24448	2.0
405.39587	1.5
429.30176	1.6
441.30453	6.5
459.31567	16.9
477.32803	22.9
495.29135	68.1
496.29221	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01859	3.6
55.05259	1.6
55.05507	20.6
57.03432	16.1
59.04996	2.2
65.03919	2.9
67.05499	32.8
69.03423	6.1
69.07061	9.6
71.04986	8.1
71.26530	1.2
71.26854	1.7
77.03909	1.6
79.05489	34.2
81.03413	87.9
81.07047	37.1
83.04977	14.9
83.08137	2.1
83.08612	32.9
85.02898	46.2
85.06530	2.7
91.05474	46.3
91.62486	1.0
93.07043	24.0
95.04963	36.0
95.08598	14.4
97.02870	2.6
97.06502	6.0
97.10185	5.3
97.10693	0.9
105.07021	32.3
107.04945	6.3
107.08568	8.8
109.06522	6.1
109.10165	5.7
109.10818	1.3
111.04420	4.1
111.08067	15.2
113.05981	2.9
115.05455	1.3
117.07019	3.0
119.04980	1.2
119.08572	25.9
121.10128	16.6
123.08092	4.9
123.11719	1.9
125.05988	1.3
125.09599	2.6
127.07533	0.9
128.06213	1.5
129.06985	14.3
131.08577	16.8
133.06464	3.9
133.10127	13.1
135.08087	1.1
135.11661	1.5
137.09595	2.3
142.07744	5.6
143.08620	1.2
145.10103	2.8
147.08049	3.2
147.11655	19.3
148.12094	1.4
149.09618	7.8
151.11096	1.0
157.10104	18.4
163.11124	1.9
165.12784	4.2
175.11186	21.6
189.11327	1.6
193.12228	87.0
194.12514	2.2
210.61858	1.1
211.13271	100.0
212.13654	3.9
243.02892	1.0
267.15958	4.3
285.17014	4.7
385.23898	1.6
403.24777	1.3
477.28534	3.6
495.29498	73.8
496.29950	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.05503	29.7
57.03428	18.8
58.03038	1.7
59.04995	2.1
65.03923	4.6
67.05495	57.0
69.03428	9.9
69.07060	16.2
69.32131	14.1
71.01351	2.2
71.04990	13.0
71.30819	1.3
73.02909	2.2
79.05484	60.3
81.03410	93.8
81.06562	3.3
81.07045	66.5
83.04968	24.2
83.08607	41.0
85.02895	52.3
85.06528	5.6
91.05470	64.9
93.07030	45.2
95.04961	46.8
95.08591	33.3
95.09151	2.7
97.02880	6.6
97.06534	11.6
97.10155	9.1
99.04451	1.9
99.08048	1.7
105.07021	47.4
107.00169	1.4
107.04951	13.3
107.08575	23.8
109.06488	12.4
109.10133	12.6
111.04429	6.7
111.08076	20.4
113.05996	3.7
115.05453	2.3
117.07024	6.7
119.04922	2.0
119.08566	37.8
121.06477	3.7
121.10130	23.7
123.08071	6.1
123.11703	5.0
125.09618	5.1
127.07516	1.6
128.06190	2.1
129.06987	23.4
131.08554	24.7
133.06474	5.6
133.10112	22.6
133.11049	2.3
135.08060	2.3
135.11673	4.6
137.09581	3.6
141.06941	3.2
142.07751	7.4
143.08627	2.4
145.06427	3.2
145.10086	10.5
147.08064	6.9
147.11674	27.4
149.09602	10.3
149.13297	3.4
151.11308	1.8
155.08537	4.1
157.10127	22.4
159.08105	1.6
159.11714	4.7
161.09560	1.6
163.11174	4.9
164.08006	1.8
165.12762	6.0
167.07059	4.8
169.10115	5.0
171.08070	1.9
171.11707	3.7
172.08916	1.7
173.05838	1.6
173.09636	4.9
173.13290	1.9
175.11166	23.4
177.12779	2.4
181.12239	2.8
185.13199	1.6
187.11186	2.1
189.11275	2.8
191.10652	2.1
193.12221	100.0
194.12567	2.1
195.11639	1.7
195.13721	1.8
197.09596	4.9
199.11307	3.9
201.12791	2.5
203.14235	1.7
209.11771	4.5
211.13263	98.3
212.13609	2.9
215.10699	7.1
217.12242	2.5
219.13824	2.9
225.09030	3.5
225.12727	1.6
227.12787	5.9
233.15453	3.0
237.09023	1.6
239.07140	1.7
243.10185	2.2
251.14317	1.8
267.09363	1.9
267.15857	13.0
283.15488	3.5
285.16885	3.7
319.16757	1.7
345.54208	1.5
349.21640	1.8
367.22498	3.5
385.23944	4.1
403.25015	2.1
431.25885	2.0
438.06180	1.8
449.26990	4.9
459.26434	6.4
477.27136	16.6
478.05066	1.8
495.29468	85.6
496.29950	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	495.3327
Annotation	Makisterone B
Peak:m/z	Relative Intensity
54.06810	2.0
55.01853	5.9
55.05507	33.0
57.03428	12.5
59.04971	2.2
65.03925	3.2
67.05495	49.4
69.03422	7.1
69.07061	21.9
69.89323	11.4
71.04981	13.3
79.05486	45.8
81.03410	62.4
81.07053	65.8
83.04977	19.8
83.08609	30.3
85.02892	30.2
85.06525	4.2
88.83496	2.0
91.05467	49.2
93.07039	35.6
95.04964	35.2
95.08598	36.3
97.02881	3.5
97.06527	7.8
97.10159	11.1
99.00829	6.4
99.04457	6.8
99.08086	3.1
105.07018	34.7
107.04929	10.0
107.08586	28.7
109.06505	8.6
109.10131	19.8
111.04428	6.9
111.08065	15.7
113.02380	2.3
113.06025	2.7
115.05502	3.2
117.07034	5.6
119.08566	26.3
121.06485	3.5
121.10126	16.8
123.08094	4.0
123.11717	8.2
125.05973	3.1
125.09623	7.1
129.06984	12.5
131.08562	15.3
133.06479	7.6
133.10120	16.5
135.08067	5.3
135.11656	10.8
136.11830	2.1
137.05927	3.8
137.09583	3.4
139.07571	3.1
142.07745	2.8
145.10110	7.6
147.08046	5.4
147.11658	16.4
149.05939	3.4
149.09598	11.4
149.13249	4.7
151.07512	5.7
151.11156	3.0
153.05424	6.4
157.10146	19.6
159.11662	4.7
159.15462	2.3
163.03946	2.6
163.07501	2.6
163.11169	4.9
165.12770	4.5
167.07016	4.4
171.11792	3.0
175.11195	18.1
177.05449	6.4
181.04903	17.8
183.06586	5.5
189.09096	13.0
189.11244	2.5
191.10643	2.3
193.12212	65.2
195.06500	36.1
203.10695	2.1
205.12248	2.3
207.06432	3.0
209.08032	17.3
209.11731	7.8
211.13254	62.3
223.09605	20.4
227.12692	4.1
237.11221	23.7
249.11232	10.1
249.14879	2.2
251.12772	7.5
263.12906	5.2
265.14206	2.6
267.15936	8.0
293.17392	3.6
319.19034	2.9
329.06479	5.9
357.23828	2.8
367.22562	3.1
373.23706	5.4
385.23672	6.3
389.26831	7.7
391.24625	17.1
403.24548	4.5
415.32162	2.9
441.29935	13.1
459.31085	100.0
477.32590	45.2
495.29388	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35077	0.9
55.01862	1.1
55.05509	2.7
56.96523	0.9
57.03421	1.6
57.07069	1.5
67.05502	9.2
69.03422	2.5
69.07064	3.4
71.05013	1.0
71.54965	1.5
74.31224	1.0
79.05481	4.5
81.03444	1.2
81.07052	12.3
83.04967	2.0
83.08632	1.1
85.02920	1.2
85.06530	1.6
91.05505	2.2
93.07040	8.6
95.04967	2.1
95.08596	17.0
97.06557	1.4
97.10143	1.3
102.56438	0.9
103.05466	1.3
105.07021	5.6
107.08575	6.7
109.06490	2.8
109.10134	8.7
110.05445	1.0
111.04424	3.2
111.08033	1.1
119.08564	3.0
121.06506	2.2
121.10120	4.9
123.08054	10.2
123.11693	5.1
131.04941	2.0
132.05330	1.5
133.10124	2.5
133.83467	0.9
135.08055	5.6
135.11652	2.5
137.05988	7.2
137.09590	2.9
137.13260	1.6
138.06279	1.8
139.11134	0.9
145.10129	2.3
147.11679	1.1
149.06047	1.0
149.09613	2.1
149.13252	3.4
151.07529	100.0
152.07881	1.9
153.05475	2.0
159.11780	1.1
161.09642	2.5
161.13264	1.0
163.07547	2.4
163.11220	1.6
164.07800	1.1
165.05576	1.7
165.09117	11.6
167.07043	2.2
167.10715	1.4
169.15790	1.0
173.09633	1.5
173.13174	1.6
175.11145	2.2
176.08305	1.8
177.09097	6.3
179.10536	1.1
185.11684	1.6
187.11169	2.0
189.09033	2.2
190.09573	1.3
191.10646	27.5
199.11067	1.2
203.10597	1.7
205.12215	14.3
215.10750	1.1
217.12238	1.2
219.13799	1.4
231.13744	2.4
240.03883	1.4
240.54054	1.1
321.24332	1.3
413.30426	3.1
431.31747	1.4
441.30301	1.3
459.30951	3.0
466.34854	1.2
495.32825	1.3
524.36902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19321	1.0
55.01864	3.6
55.05500	12.4
57.03414	4.8
57.07071	8.0
59.04998	1.3
65.03933	1.2
67.05495	28.9
69.03410	3.4
69.07059	17.2
71.04977	2.7
78.45464	1.0
79.05489	16.5
81.03397	4.1
81.07046	41.5
83.01314	2.5
83.04962	2.9
83.08614	6.5
83.09043	1.3
85.02869	1.1
85.06531	29.5
91.05474	9.5
91.77971	1.1
93.07032	20.3
95.01317	1.7
95.04956	7.2
95.08598	26.5
97.02905	1.2
97.06511	3.2
97.10151	4.1
98.20774	2.6
99.00807	9.2
99.04430	4.3
99.08046	1.6
105.07030	7.7
107.04934	7.1
107.08584	17.7
109.06499	12.1
109.10140	17.4
111.04459	1.7
111.11678	1.3
113.02338	1.6
117.06995	2.7
119.08573	6.1
121.06493	6.9
121.10126	9.8
123.04388	2.4
123.08054	3.6
123.11669	7.5
125.05950	1.5
125.09596	3.8
129.06982	1.8
131.08569	7.4
133.06483	2.2
133.10104	3.3
135.04404	1.8
135.08043	6.0
135.11676	6.0
137.05942	4.3
137.09628	1.8
139.07523	3.2
139.11168	3.2
143.08554	1.4
145.06427	1.4
145.10106	5.6
147.08035	1.9
147.11674	1.8
149.05991	2.9
149.09576	4.8
149.13205	3.9
151.07541	3.8
153.05441	4.5
155.07031	2.9
155.08405	1.5
157.06429	1.3
157.10159	2.0
159.07971	1.7
159.11632	2.7
161.09596	1.7
161.13229	1.2
163.03862	2.2
163.07500	2.9
163.11201	2.2
163.14771	1.5
165.05450	2.0
165.09067	5.8
167.07024	3.3
171.08070	3.0
171.13826	1.6
173.13307	1.6
175.07549	4.1
175.11209	2.4
177.05441	7.4
177.09053	2.9
177.16280	1.2
179.10655	1.4
181.04927	18.5
183.06557	6.4
187.11226	2.0
189.09088	18.2
191.06996	1.9
191.10602	2.5
191.14268	2.8
193.08627	1.4
193.12212	2.7
195.06508	39.1
196.07030	1.2
201.12622	1.2
203.10675	3.9
205.08545	1.4
205.12254	1.5
207.06512	3.1
209.08061	14.0
217.12199	1.1
219.10135	1.5
219.13742	8.4
221.08055	2.6
223.09633	27.1
229.57552	1.5
235.09589	4.7
237.11183	25.8
249.11203	17.0
251.12640	3.8
259.15399	6.0
261.11304	1.6
263.12701	4.2
265.14359	1.7
277.14273	2.5
285.17279	1.2
291.15671	5.1
293.17490	7.0
305.17358	3.5
307.18906	4.9
317.17520	5.2
319.19110	3.0
329.06561	3.2
331.19302	2.0
333.20172	1.2
349.21689	1.5
359.21951	2.1
367.22800	1.6
375.25241	19.0
376.26163	1.2
385.23611	3.9
403.24762	1.7
429.30167	1.6
441.29953	9.3
459.31030	100.0
460.31424	3.9
477.32205	61.3
478.32144	1.8
495.19760	1.3
495.33243	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	495.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.8
55.05264	2.4
55.05506	33.0
57.03421	6.1
57.07054	6.1
59.04970	2.6
65.03926	4.1
67.05493	44.4
69.03426	8.6
69.06679	2.3
69.07059	43.5
70.06229	2.7
70.06639	5.4
71.04964	5.9
79.05484	30.8
81.03408	25.4
81.07045	79.9
82.07389	2.2
83.01323	4.8
83.04970	14.0
83.08611	20.7
85.02907	8.8
85.06510	8.5
91.05466	29.6
93.06467	2.5
93.07036	32.5
95.01283	2.4
95.04951	19.5
95.08598	45.7
97.06510	7.7
97.10139	6.3
99.00800	11.9
99.04433	7.4
99.08099	2.7
105.07019	24.5
107.04942	5.6
107.08578	23.5
109.02873	2.4
109.06496	9.6
109.10147	25.1
111.04421	5.9
111.08053	7.5
111.11707	2.9
113.02334	3.1
113.06007	1.7
115.05442	2.4
117.01883	2.1
117.06996	5.4
119.08566	18.1
121.06458	4.6
121.10119	15.6
123.08031	4.5
123.11666	10.6
124.22624	1.8
125.05988	5.7
125.09616	7.4
128.06206	2.6
129.07001	8.2
130.07791	1.5
131.08543	10.3
131.91061	1.6
133.06487	4.5
133.10130	13.1
135.04396	2.8
135.08015	5.3
135.11670	9.6
137.05952	9.3
137.09625	3.5
137.13243	3.4
139.07498	3.9
141.05421	1.9
142.07784	3.0
143.08495	2.4
145.10094	7.0
147.08003	3.3
147.11679	13.3
149.02454	2.1
149.05946	5.9
149.09589	6.9
149.13220	5.3
151.07549	10.0
151.11142	2.0
153.05428	5.4
153.09106	1.9
155.07037	4.2
155.08514	2.2
157.06485	2.3
157.10100	7.7
159.07961	4.1
159.11668	3.0
161.06030	2.9
161.09547	3.7
163.03848	3.4
163.07497	6.1
163.11095	5.1
165.05499	3.0
165.09123	4.2
165.12720	4.9
167.07051	13.7
169.10098	1.8
171.08038	4.4
171.11681	2.4
173.13303	2.0
175.07492	5.7
175.11160	12.2
177.05450	6.3
177.09106	4.8
177.12708	2.0
179.10634	4.3
181.04947	23.7
181.10284	2.3
181.12166	2.4
183.06546	9.3
187.11128	3.2
189.09056	15.7
191.06999	4.0
191.10611	3.6
193.12216	23.5
195.06505	60.6
195.08244	3.8
199.06071	2.5
203.10637	5.7
205.12206	2.6
207.06541	4.1
209.08058	25.1
211.13249	20.9
215.10826	2.3
217.12170	2.3
219.10081	2.6
221.08026	2.8
223.09607	36.4
227.12685	2.1
229.14261	2.2
231.09973	1.8
231.13857	2.7
235.09599	4.7
237.11162	29.6
245.15326	2.5
249.11121	12.1
251.12755	9.1
257.15240	2.0
263.12723	8.2
267.15958	4.5
277.14432	3.6
289.14108	4.2
291.15753	4.3
293.17374	3.9
303.15820	2.7
305.17380	12.5
307.19019	11.2
317.17438	12.9
319.18948	2.3
331.19180	2.1
335.18369	5.2
349.21567	2.2
375.25183	7.4
385.23416	4.3
403.24741	4.9
441.29758	5.6
452.68842	2.1
459.31100	46.8
477.32266	100.0
478.32263	4.6
495.33643	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3313
Annotation	Makisterone B
Peak:m/z	Relative Intensity
50.33559	1.8
55.01858	5.5
55.05505	26.5
57.03418	5.4
57.07060	5.6
59.17344	1.6
65.03930	1.8
67.05152	2.8
67.05497	44.0
69.03416	3.5
69.07059	23.6
69.56096	13.1
71.04966	5.9
79.05485	26.4
81.03407	26.6
81.07045	66.2
83.01357	4.0
83.04982	10.2
83.08608	18.1
85.02891	11.2
85.06541	16.6
91.05465	29.9
93.07037	32.3
95.04970	17.5
95.08590	41.9
97.02871	3.0
97.06521	5.9
97.10162	5.6
97.46085	1.8
99.00831	13.2
99.04440	7.1
105.07026	16.7
107.04937	8.7
107.08578	25.8
109.06506	7.3
109.10139	27.1
111.04438	5.0
111.08065	8.7
113.02381	2.3
113.06004	2.2
117.01820	2.4
117.06984	2.8
119.08578	15.2
121.06498	6.3
121.10137	18.9
123.04411	2.4
123.08060	4.8
123.11699	13.4
125.06002	4.2
125.09632	5.7
128.06206	2.4
129.07004	7.2
131.08536	8.5
133.06493	5.5
133.10138	11.2
135.04425	2.6
135.08018	4.9
135.11696	10.1
135.89102	2.1
137.05908	9.0
137.09604	2.6
137.13257	6.3
139.07520	2.2
139.11174	2.1
143.08546	3.1
145.06509	2.6
145.10129	4.9
147.08072	3.5
147.11681	12.1
149.02301	2.1
149.05977	6.3
149.09560	5.7
149.13277	5.3
151.07503	10.0
153.05472	7.3
153.12695	2.2
155.06998	2.7
157.10109	9.5
157.12280	1.8
161.09637	4.5
161.13264	2.3
163.03886	3.6
163.07521	6.8
163.11194	4.3
165.05397	4.1
165.09071	4.0
165.12752	3.4
165.61464	1.6
167.07048	8.1
169.10100	1.7
171.08014	4.8
173.09650	2.1
173.13213	2.6
175.07544	6.1
175.11162	11.4
177.05466	11.5
177.09067	4.7
181.04965	22.4
183.06537	10.2
187.11214	2.6
189.09071	29.5
191.07088	2.6
191.10628	4.5
193.08591	2.8
193.12199	27.3
194.12869	1.9
195.06516	53.0
203.10669	3.5
205.08693	2.2
205.12173	3.7
207.06537	3.6
209.08046	23.8
209.11540	2.0
211.13249	21.1
215.10675	2.2
217.12117	2.1
219.13826	2.8
221.08105	3.1
223.09633	32.4
227.12650	3.0
231.10141	2.3
235.09637	3.5
237.11186	34.4
249.11174	24.4
251.12761	6.4
260.53302	1.8
261.11047	2.3
263.12747	5.8
265.13971	1.9
267.15955	4.7
277.14163	3.5
279.15854	2.8
291.15878	3.1
293.17401	4.1
303.00049	2.2
305.17331	4.1
307.19067	4.0
317.17499	6.1
319.19101	3.5
331.19226	2.2
375.25229	11.1
385.24121	2.0
403.24512	1.8
429.29813	5.6
440.92371	1.8
441.30017	18.4
459.31128	83.9
460.31293	3.0
477.32263	100.0
478.32404	4.8
495.32922	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.339
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.6
56.05024	1.3
57.03418	0.5
57.07067	3.1
58.06569	1.3
60.08156	17.0
67.05495	0.8
69.07063	0.5
69.99197	0.9
70.06576	0.4
71.07364	6.9
71.08620	2.3
78.71790	0.2
81.07039	0.9
81.71101	0.2
83.08600	0.4
85.10165	1.1
86.09694	51.6
87.10009	0.5
95.08598	1.0
98.98446	3.5
104.10729	100.0
105.11067	0.7
109.10138	0.5
124.99986	28.0
136.12474	0.2
140.67780	0.2
143.01083	0.3
154.74814	0.2
163.01540	0.6
172.26204	0.2
179.13869	0.3
181.02512	0.4
184.07314	93.1
185.07684	0.8
258.11072	1.3
313.27438	1.6
419.25485	0.5
478.32889	8.5
479.33591	0.4
496.33893	23.4
497.34229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.092
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
55.45367	0.7
57.69450	0.8
61.02916	6.1
62.80463	0.7
69.03424	1.2
70.78120	2.4
71.05011	1.0
73.02914	1.0
82.35416	0.7
85.02892	5.9
91.03952	3.6
94.49489	0.8
97.02888	2.9
109.02883	0.8
123.00795	1.0
125.02341	1.0
127.03941	1.1
139.03851	1.4
143.03384	0.9
147.04405	0.9
153.01804	18.1
169.01324	6.8
177.05496	1.0
181.01340	2.5
203.15976	0.8
205.04849	1.0
215.03371	2.2
230.95573	0.8
233.04485	2.5
238.83243	0.8
243.02808	1.1
260.19989	0.8
261.04065	4.4
271.02292	0.9
289.03345	10.0
303.04913	1.9
316.19348	0.8
317.02863	8.7
319.04492	0.9
335.03937	100.0
336.04355	1.4
497.11487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.05479	0.7
67.05492	1.4
69.03375	0.5
69.07020	0.7
71.54004	0.5
79.05439	1.1
79.31716	0.3
81.07052	2.5
83.04936	0.5
83.08586	0.5
84.04449	0.6
85.02869	0.5
85.06496	0.7
91.05462	1.8
92.73174	0.3
93.06981	1.4
94.03468	0.3
95.04935	0.6
95.08601	2.4
99.04420	0.3
100.11201	0.5
105.06969	1.2
107.04918	1.0
107.08529	1.3
109.06520	0.3
109.10095	1.3
119.04868	1.2
119.08524	0.9
121.06443	1.0
121.10093	0.9
123.04369	0.5
123.08036	0.6
123.11620	0.8
125.05933	0.4
125.09640	0.3
131.08554	0.4
133.06473	0.5
133.10056	0.5
135.11600	0.6
137.05997	1.4
139.07449	0.3
145.10043	0.6
147.04387	3.4
147.11610	0.3
149.05943	0.6
149.13248	0.3
151.07477	0.6
155.08498	0.4
159.11626	0.4
161.05920	0.4
161.13156	0.3
163.11095	0.6
165.05376	0.7
165.09091	0.8
166.08510	0.3
167.06975	1.0
171.11685	0.3
175.07487	0.3
175.11050	0.5
189.05193	0.4
191.10663	0.4
212.59503	0.3
235.07658	0.4
245.22801	0.3
247.04530	0.5
270.26093	0.4
277.08960	0.3
289.06763	2.4
331.07822	2.6
349.08893	100.0
350.09357	2.9
443.32248	0.3
461.28156	0.5
497.14136	88.9
498.14499	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	497.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69000	0.5
53.03938	1.0
53.23875	0.6
56.07586	0.6
56.65356	0.6
57.03434	0.9
61.02904	0.8
67.05478	2.4
67.76247	0.6
69.03419	3.4
69.07059	43.4
70.70097	1.8
71.04947	0.8
73.05658	0.6
78.64833	0.7
79.05476	1.2
81.03391	1.8
81.07038	3.7
85.02901	6.5
91.05460	1.1
92.04980	0.9
94.06557	2.2
95.92529	0.6
96.08138	0.6
97.02846	2.5
97.06516	8.2
109.02840	0.9
109.06470	0.8
119.08568	0.8
122.06023	4.6
124.07560	1.7
137.05943	2.2
138.05479	4.0
140.07053	4.3
145.08849	1.7
145.10036	0.7
146.09618	2.1
147.06810	0.8
148.03923	1.0
150.05487	56.0
153.01807	3.5
153.05421	3.3
157.08867	1.4
159.10361	1.0
161.08328	3.2
162.09119	2.6
162.12801	0.7
166.04991	14.1
168.06567	1.0
172.07594	0.8
172.11215	2.6
172.45564	0.7
173.08255	1.1
174.09088	1.2
174.12802	4.7
176.03375	3.3
178.04955	1.2
182.04419	0.8
185.08360	0.8
188.10649	1.3
190.08586	1.1
190.12262	4.0
194.04492	1.1
195.06419	0.7
200.07051	0.7
200.10748	3.8
202.12222	5.0
212.98216	0.7
216.10208	2.7
218.08250	1.4
218.11740	18.0
228.10158	8.9
229.13409	1.0
230.11801	0.9
234.11229	2.6
243.11108	1.0
244.09769	2.0
246.11230	16.4
256.09543	0.8
257.09171	1.8
262.10791	0.8
271.10779	2.8
272.09036	1.9
273.12384	1.9
274.10754	1.8
283.05957	0.8
287.10297	6.6
289.11792	8.6
290.10367	1.1
291.13287	1.1
299.10159	4.1
303.05014	3.1
313.03506	4.6
313.06787	0.9
317.07574	1.5
317.11279	27.1
318.09772	2.1
335.12320	100.0
336.12680	1.8
338.19376	0.7
342.09238	0.7
387.07050	1.2
423.07123	0.8
427.62402	0.7
467.02637	0.8
497.17642	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	497.2894
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
53.03950	6.0
55.05502	13.6
67.05196	4.7
67.05487	27.8
69.07069	10.9
69.86291	20.8
71.04977	6.7
73.24289	4.7
79.05487	15.2
79.69659	5.2
81.07055	30.5
83.04949	13.6
91.05466	27.3
93.07026	42.2
95.04939	11.7
95.08594	55.9
97.02879	14.1
99.04437	5.7
105.07008	25.9
107.08577	32.1
109.06511	8.7
109.10152	19.4
111.08066	6.1
115.05453	5.2
117.06949	10.1
119.08596	32.7
121.06519	10.8
121.10141	30.2
123.08027	5.5
123.11698	22.8
128.06137	6.3
129.07033	7.3
130.80220	5.3
131.08540	23.0
133.10130	27.0
135.08040	9.1
135.11687	7.3
137.05957	12.3
137.09663	5.9
139.07526	7.0
142.07770	8.3
143.08551	26.8
145.06497	8.3
145.10118	18.5
147.08064	8.2
147.11714	12.0
149.09587	16.3
155.08559	11.6
156.09282	7.8
157.10124	23.0
159.04430	14.3
159.08070	7.3
159.11678	14.2
161.09618	7.4
161.13342	5.8
168.09370	7.5
169.10117	20.3
169.66721	6.0
170.10817	5.8
171.08072	13.3
171.11699	15.1
173.05957	12.2
173.13220	10.6
175.11189	8.5
177.12781	6.5
181.10132	6.2
183.08130	6.4
183.11690	19.4
185.09535	9.7
185.13277	20.3
187.11185	8.2
193.10054	6.7
195.11707	9.4
197.09573	5.8
197.13254	9.8
203.10669	6.2
207.11760	6.7
209.13332	7.6
211.07689	6.0
211.11115	14.2
211.14957	7.4
213.12698	7.0
214.19887	6.1
215.10733	13.5
215.14479	6.7
229.12233	14.4
231.13808	9.5
239.14299	8.9
243.13635	6.2
265.19797	5.3
279.17468	6.2
323.20242	6.8
433.27368	12.1
443.26349	8.7
461.26550	16.5
479.27878	100.0
497.28851	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	497.2891
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
53.03937	5.6
55.01875	5.6
55.05505	11.6
57.03416	3.5
57.07040	3.7
63.08470	3.6
65.05167	4.1
67.05499	34.8
69.03397	5.2
69.07072	4.1
69.44733	31.4
71.04948	5.9
79.05481	19.7
81.07036	25.4
83.04964	13.8
83.08595	5.0
91.05468	28.4
93.07034	51.2
95.04951	14.9
95.08594	100.0
97.06489	8.0
103.05428	3.9
105.07016	37.2
107.08570	34.1
109.06529	17.9
109.10153	15.0
111.04420	9.3
111.08079	12.4
115.05420	5.6
117.07034	11.4
119.08549	35.3
121.06506	10.0
121.10126	16.6
123.08061	14.4
123.11699	7.6
128.06248	4.7
129.07018	9.8
130.07899	4.7
131.08551	27.7
133.06407	8.1
133.10114	28.2
133.46414	3.4
135.08032	8.6
135.11664	6.6
138.08020	3.8
139.07584	9.2
141.43443	3.6
142.07762	7.2
143.08539	17.4
145.06470	10.5
145.10100	21.6
145.11147	4.2
147.08064	13.2
147.11678	15.2
149.05948	4.7
149.09593	4.1
156.09341	5.7
157.06525	4.0
157.10132	25.5
159.08052	25.2
159.11685	26.2
161.06041	5.0
161.09621	10.3
161.13280	8.7
163.11150	5.7
165.07011	9.3
167.07079	5.2
167.08398	4.7
168.09325	4.5
169.10143	10.0
171.08055	5.0
171.11700	15.1
172.12270	3.6
173.09615	10.8
173.13232	10.6
175.07555	14.7
175.11252	9.7
179.08617	3.6
180.09250	4.2
181.10141	7.2
183.08035	5.3
183.11664	9.3
185.09598	7.8
185.13304	6.2
187.07437	5.9
187.11189	11.8
187.14787	4.3
187.97513	3.6
189.09094	10.1
189.12782	4.3
193.10220	4.8
194.10913	3.4
195.11697	9.3
197.09576	9.6
197.13181	8.7
199.11194	12.5
201.09076	4.5
201.12762	13.2
203.10689	7.8
205.08574	6.1
207.11752	4.8
209.09656	4.5
209.13126	4.4
211.11203	7.9
213.09132	4.4
213.12756	9.4
215.10655	8.1
215.14305	7.6
217.12250	6.9
219.13811	4.0
223.11116	8.5
223.14909	5.7
225.09091	6.4
225.12709	5.2
225.16237	4.4
227.10646	11.3
229.12193	9.2
233.15430	9.1
234.13567	4.1
237.12714	10.2
239.10806	7.7
241.12251	5.9
245.11674	4.6
247.13304	4.3
249.12987	4.0
253.12077	6.4
267.13968	3.7
277.14255	19.4
283.17218	3.4
303.17392	5.4
305.15475	4.0
319.33044	4.4
321.18265	6.1
339.19629	4.4
359.22198	5.6
378.61191	4.0
419.25665	4.5
424.26410	3.7
433.27469	13.3
437.26816	13.5
443.25662	10.5
451.28278	5.2
453.29846	11.9
461.27023	35.8
479.27884	52.3
480.28250	6.6
497.28940	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01852	10.9
55.05503	12.3
60.04472	6.6
65.03928	7.5
65.86228	6.0
67.05499	38.1
69.07057	12.8
79.05479	31.6
81.07056	71.1
83.04958	14.2
83.08602	8.2
84.77186	5.3
91.05478	29.9
93.07032	47.3
94.58823	6.0
95.04945	18.1
95.08595	93.2
97.06525	10.7
99.04421	7.7
102.42892	6.6
105.07040	43.3
107.04931	10.2
107.08563	32.9
109.06500	100.0
109.10161	22.8
111.04444	8.1
111.08064	12.6
117.07003	14.5
119.08580	40.3
120.56773	5.8
121.10115	28.8
123.08035	12.6
125.09667	6.0
128.06233	6.5
129.06926	6.3
131.08553	18.8
132.06297	6.3
132.36255	5.8
133.10081	29.9
135.08061	17.1
135.11633	15.7
139.07585	6.9
142.07755	9.6
143.08560	21.2
145.10132	38.0
147.07953	6.7
147.11652	17.9
155.07010	36.7
155.08510	20.2
156.09315	7.7
157.10136	28.4
159.08073	13.8
159.11699	27.1
161.13321	11.3
169.10080	19.9
170.81580	6.6
171.08018	9.1
171.11671	22.0
173.09663	14.2
173.13240	9.7
173.27661	6.1
175.11189	13.7
177.12627	7.4
181.10109	12.2
183.08044	6.1
183.11703	19.1
185.09537	8.1
185.13306	16.9
187.11182	13.2
187.14740	9.0
189.12589	7.8
195.11687	11.2
197.13225	16.4
199.11153	13.9
199.14874	10.5
201.12585	6.4
207.11618	10.3
209.13312	18.9
211.11166	8.7
211.14873	8.0
213.12729	13.1
215.14391	10.6
217.12201	7.5
221.13237	7.8
225.16328	7.0
227.14201	7.3
229.50313	8.0
233.13303	9.4
235.14807	9.3
237.12724	8.8
237.16479	8.2
245.11635	15.1
251.17807	8.3
259.13150	7.7
293.18979	10.4
339.19452	7.9
343.22665	17.6
409.27518	12.3
415.25626	7.2
423.21948	9.4
433.27383	21.4
443.25894	9.4
451.28049	15.2
461.26736	14.5
479.27829	37.4
497.28790	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2893
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
53.03941	7.2
54.36454	4.9
55.05497	17.8
67.05486	32.9
68.05138	5.0
69.07065	8.3
71.53888	12.1
74.75201	5.1
76.97845	5.1
79.05483	28.4
79.28632	4.8
81.03413	6.2
81.07050	67.0
83.04957	10.7
83.63391	5.6
85.08888	4.7
91.05476	27.8
93.07037	59.3
95.04959	13.4
95.08589	100.0
105.07014	28.8
107.08582	42.3
109.06506	78.7
109.10146	22.9
117.07028	11.8
119.08604	33.3
121.06451	9.2
121.10110	23.7
123.08034	14.7
123.11699	9.3
125.09607	5.8
129.06938	12.3
131.08551	21.6
133.10085	29.5
135.08046	6.7
135.11668	14.7
137.05974	9.5
137.09569	7.6
139.07573	8.4
142.07771	10.2
142.45877	5.5
143.08571	19.6
145.10123	30.8
147.08023	12.7
147.11671	15.4
149.09605	11.2
155.07027	30.4
155.08513	11.3
156.09334	8.1
157.10146	30.3
159.08076	15.2
159.11716	31.0
161.09662	12.0
161.13319	13.9
167.08510	10.3
168.09317	7.3
169.10097	18.6
171.08138	7.1
171.11649	20.8
173.09575	12.6
173.13297	14.8
175.11172	8.8
177.08961	7.1
177.12732	5.3
179.08508	7.5
180.09277	7.0
181.10075	7.1
183.11676	19.9
185.09540	12.2
185.13214	14.5
187.11180	7.9
187.14879	8.1
189.12718	7.7
193.10098	6.5
194.10834	7.3
195.11705	13.3
197.13208	13.1
199.11185	21.3
199.14688	6.7
201.12650	13.0
207.11659	8.8
209.13237	17.6
213.12729	21.3
215.14172	8.3
221.13347	10.0
223.14764	8.8
225.12802	6.6
233.15332	7.7
235.14784	6.5
235.17020	5.4
237.12860	10.2
237.16486	8.7
239.14139	6.7
245.11705	7.5
245.15633	7.1
247.13295	7.2
251.17993	6.0
255.13876	7.7
288.78079	5.2
293.19034	11.2
339.19525	16.3
340.20862	5.3
343.22687	16.3
391.26028	7.9
409.27362	14.4
423.21945	8.0
433.27341	23.9
433.47211	5.9
437.26730	8.1
443.25476	8.3
451.28564	12.5
461.26743	16.8
479.27789	44.1
497.28891	18.7
497.36038	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	497.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
51.31116	1.7
51.65411	1.6
53.03939	10.2
55.01860	6.4
55.05505	23.7
57.03430	32.6
57.07059	2.6
61.02917	76.6
65.03936	4.3
67.05496	100.0
69.03421	44.9
69.07057	21.7
70.24235	4.4
70.24627	3.4
71.01338	7.8
71.04980	8.1
73.02503	2.3
73.02908	35.4
75.04472	2.9
79.05484	59.6
81.03412	26.8
81.07044	94.1
83.04978	8.2
83.08604	9.0
85.02893	78.0
85.06516	2.8
87.04449	4.1
91.03947	50.1
91.05467	41.5
93.07030	66.1
95.04941	7.1
95.08596	72.2
97.02876	64.3
97.03512	2.9
97.06511	6.1
97.10142	5.8
99.04438	13.8
101.02374	16.5
103.03934	10.2
105.07015	32.5
107.04937	4.6
107.08584	34.5
109.02864	14.6
109.06513	7.8
109.10136	34.4
111.04428	4.3
111.08054	4.6
112.33475	1.8
115.03926	6.5
117.05490	2.4
117.06998	11.6
119.08569	25.6
121.06521	2.2
121.10121	33.7
123.08055	3.7
123.11671	11.8
127.03906	28.3
129.05455	6.6
129.06996	4.5
131.08554	21.0
133.10095	21.0
135.08028	2.9
135.11684	21.8
137.09575	2.4
137.13231	3.8
139.11163	2.1
143.08583	5.3
145.04994	9.8
145.10086	17.2
147.07979	2.9
147.11691	15.0
149.09526	2.6
149.13251	11.6
157.10104	4.6
159.07993	2.8
159.11714	14.4
161.13222	11.1
163.14801	7.1
169.10164	2.4
171.11685	3.3
173.13225	11.5
175.14847	3.1
177.12758	2.1
177.16379	2.1
179.14316	2.2
183.06500	8.0
183.08034	2.0
184.07347	3.2
185.13243	3.0
187.11278	2.0
187.14842	5.9
191.14252	2.1
195.11740	2.3
199.14799	2.1
201.07515	2.0
201.16367	2.0
211.11226	2.0
213.12828	2.0
225.12680	2.1
243.21088	6.3
259.20755	3.9
261.22153	22.2
273.21768	2.0
303.23068	3.4
309.21918	1.9
317.24796	2.7
335.25748	86.2
336.25888	2.3
363.25296	3.1
369.24261	5.6
441.53784	2.1
461.28445	2.8
479.29565	6.9
497.31125	17.1
497.46802	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	497.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07510	3.0
53.03920	9.2
55.01857	7.3
55.05500	25.7
57.03432	32.0
61.02916	57.4
65.03939	4.2
67.05492	96.3
69.03076	2.9
69.03419	45.1
69.07059	21.8
70.63113	4.9
71.01329	4.7
71.04964	7.2
71.08614	2.9
73.02540	3.9
73.02907	36.5
77.59271	2.3
79.05482	59.7
81.03403	26.6
81.07041	100.0
83.04971	14.6
83.08602	12.2
85.02422	4.1
85.02890	56.4
85.69933	2.5
87.83896	2.4
91.03944	38.8
91.04952	3.4
91.05464	39.3
93.06458	4.8
93.07030	71.6
95.04937	11.0
95.08591	83.3
97.02879	43.1
97.06522	8.3
97.10165	6.6
99.04424	10.4
99.08086	2.6
101.02335	15.0
103.03910	9.3
105.07018	34.5
107.04929	3.1
107.08581	36.0
109.02848	10.4
109.06496	6.0
109.10133	36.6
111.04421	5.5
111.08071	4.6
115.03918	4.2
117.07000	14.7
119.08560	29.6
121.10113	33.1
123.08035	9.0
123.11690	10.6
125.09595	4.0
127.03923	17.8
129.05434	5.6
129.06970	4.7
131.08553	22.2
133.06424	3.2
133.10091	24.7
135.08067	3.9
135.11665	20.0
137.09584	4.3
137.13258	4.4
138.06210	2.9
141.06975	3.8
142.07678	2.7
143.08577	6.7
145.04932	7.6
145.10077	16.8
147.08038	3.4
147.11635	18.8
149.09610	4.3
149.13231	13.7
151.11168	2.7
155.08525	4.6
157.10071	8.7
159.11700	17.1
161.09618	3.1
161.13226	12.1
163.14711	3.9
165.12560	3.0
169.10126	3.3
171.11641	4.9
173.09520	2.8
173.13229	11.0
175.14821	6.6
179.10591	2.6
183.06421	6.4
183.11670	3.6
185.09605	3.2
185.13229	4.5
187.11070	4.4
187.14755	7.8
195.11603	3.8
197.13196	4.4
199.14786	2.8
199.91733	2.4
201.12723	4.9
243.21086	5.5
259.20624	3.6
261.22021	17.3
277.21640	3.8
335.25732	69.4
336.25864	3.1
363.25214	5.3
369.24231	5.4
385.72400	2.7
462.27234	29.9
479.28387	3.5
497.31036	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	497.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
53.35619	0.3
55.05507	2.5
57.03398	0.6
57.07064	0.4
65.03932	0.4
67.01852	1.5
67.05497	6.6
69.03416	0.9
69.07067	2.6
70.21619	1.6
71.04997	3.1
79.05482	4.1
81.03414	2.7
81.07048	7.8
83.04960	2.3
83.08608	1.5
85.02891	1.7
85.06538	0.7
91.05463	5.3
93.07032	11.8
94.07384	0.5
95.04978	2.1
95.08595	5.6
97.02905	0.4
97.06488	0.6
105.07008	3.0
107.04955	0.8
107.07921	0.6
107.08587	4.1
109.06488	1.3
109.10156	5.2
111.04418	0.9
111.08062	1.6
117.06998	0.8
119.08588	2.9
121.06512	3.3
121.10123	2.9
123.08057	0.6
123.11685	2.2
125.09635	0.7
127.11185	1.1
129.07039	0.5
131.08568	1.1
133.10103	1.8
135.08052	0.8
135.11674	3.2
137.05931	0.7
137.09612	1.2
137.13239	0.5
139.03848	0.5
139.07529	5.0
139.11166	0.8
143.08487	0.4
145.10100	0.9
147.08107	0.4
147.11726	1.9
149.05966	5.7
149.13214	1.5
151.07495	2.2
151.11134	0.4
153.05325	0.4
153.12785	0.9
155.08405	0.4
155.10698	0.7
157.10115	0.6
159.11671	0.8
161.09619	0.8
161.13211	0.6
162.47552	0.4
165.05592	0.4
166.06163	0.5
167.07022	100.0
168.07407	1.9
169.10048	0.6
169.12248	1.0
175.11221	0.6
177.09111	0.5
177.16357	0.9
181.04950	0.6
181.08582	0.8
189.09090	0.8
193.08586	0.6
193.12228	2.4
203.17906	1.3
205.08540	0.5
205.12173	0.6
207.10120	1.8
211.11296	0.6
211.13255	2.4
213.14871	0.5
217.12135	0.5
235.13313	0.5
263.23492	0.4
271.24603	0.4
277.25006	0.6
280.38309	0.4
289.25067	0.7
295.26282	0.7
335.64404	0.5
339.23447	0.5
357.23975	0.6
375.25082	2.0
425.30582	0.9
443.26758	0.4
443.31613	3.2
453.28564	1.2
461.32388	1.3
479.29459	1.1
497.31180	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	498.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79382	2.5
55.05512	5.7
57.07079	6.3
59.04996	45.5
67.05488	11.8
68.42645	2.8
69.07065	11.1
79.05474	11.0
81.07041	15.1
83.04974	18.3
91.05484	10.8
93.07038	25.8
93.75446	3.1
95.04930	6.7
95.08589	55.6
97.51019	2.8
105.07016	12.2
106.07364	2.5
107.08569	18.5
109.10141	7.5
111.04443	3.3
111.08062	8.7
115.11207	10.5
117.07019	4.3
119.08556	17.4
121.06510	6.1
121.10125	11.3
123.08067	7.2
123.11723	4.4
131.08562	12.7
133.10124	16.9
135.08055	7.1
135.11696	6.3
139.07544	5.8
143.08551	7.4
145.10115	19.2
147.08067	4.9
147.11710	3.8
155.08563	4.2
157.10138	12.5
159.08102	4.8
159.11725	15.2
161.09634	5.3
161.13271	4.0
163.14899	3.4
167.08600	4.2
169.10158	9.0
171.11717	8.0
173.09583	8.6
173.13271	15.5
173.15378	8.2
175.11232	5.6
181.06467	2.9
183.11751	8.7
184.07396	6.7
185.09547	5.9
185.13261	7.8
186.10397	4.1
187.11180	11.7
187.14833	12.8
189.12799	3.9
189.16521	3.7
195.11649	4.7
197.09477	3.3
197.13246	3.1
201.09180	4.0
201.12778	12.8
211.11275	4.2
211.14833	6.1
213.12788	8.5
215.14319	15.8
225.09109	4.5
225.12692	4.4
227.14348	6.1
228.23254	6.8
229.12270	13.4
229.15837	4.4
231.13855	7.4
233.15361	7.2
235.74239	3.1
239.14268	3.7
243.13744	8.6
255.13846	7.9
267.13651	3.9
273.14670	4.0
281.15479	3.8
295.20651	4.2
297.13351	2.9
323.20154	7.3
325.21466	3.5
349.21805	4.3
356.86292	3.2
375.49319	3.5
403.26257	3.4
417.27768	8.1
427.26700	3.3
435.28894	27.9
445.27344	19.0
463.28339	100.0
481.29385	51.3
498.31812	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	499.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27295	0.1
52.60291	0.1
53.03944	0.3
55.05503	0.2
56.18306	0.1
63.02377	0.6
65.03941	0.2
67.05501	0.6
69.03426	0.1
69.44843	0.7
69.45278	0.6
71.30716	0.1
76.53703	0.2
79.05481	1.3
81.03438	0.2
81.07047	0.2
81.24575	0.1
83.04975	0.6
89.03907	8.6
90.04198	0.1
93.03397	0.2
95.04961	2.5
95.08585	0.2
103.38882	0.2
103.84184	0.2
107.04943	2.4
108.88778	0.1
111.04439	0.5
112.40247	0.1
117.03366	9.3
120.68193	0.2
121.02856	0.3
135.04401	20.6
136.04710	0.2
143.03421	0.2
145.02831	13.7
158.06062	0.2
163.03883	100.0
164.04245	1.0
181.04976	0.5
186.05472	0.5
313.40259	0.2
319.08075	13.1
336.75125	0.2
356.45758	0.2
499.12277	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84994	0.2
52.13780	0.2
53.03925	0.4
60.12767	0.2
63.02358	0.4
67.05492	0.7
69.35007	2.4
69.68347	0.2
79.05484	1.8
83.04974	0.5
89.03909	8.1
91.05440	0.3
95.04948	3.1
98.21503	0.5
107.04931	2.2
111.04396	0.8
111.43479	0.3
117.03367	9.4
123.04456	0.3
135.04404	20.7
136.04747	0.4
139.03889	0.5
145.02837	14.0
163.03888	100.0
164.04204	1.8
181.04903	0.5
279.06467	0.5
283.06070	0.4
319.08102	10.5
325.06870	0.3
446.52344	0.3
499.12296	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	499.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34081	3.1
53.03960	4.5
55.01864	11.8
55.05498	23.2
57.07067	7.1
58.35353	3.2
58.38849	3.1
59.04998	6.4
61.13362	3.7
67.05492	38.4
69.03419	9.7
69.07062	77.9
70.13058	14.4
71.04958	3.3
79.05471	18.7
81.03402	4.1
81.07047	50.6
83.04966	13.6
83.08607	14.0
85.06587	3.4
91.05472	28.8
93.07031	53.5
95.01337	10.9
95.04959	12.1
95.08594	100.0
97.02883	26.6
97.06507	35.1
97.10175	5.9
99.00813	19.0
99.04453	7.9
105.04549	3.6
105.07014	42.3
107.04942	9.2
107.08572	50.9
109.02871	7.9
109.06541	10.0
109.10133	36.5
109.10738	4.0
111.04433	7.4
111.08072	15.7
113.09634	5.8
117.07001	11.2
119.08577	52.9
121.06498	15.4
121.10141	49.8
123.00777	64.2
123.01588	6.8
123.08044	23.1
123.11710	16.1
125.09628	5.8
128.06238	5.9
129.06989	9.9
131.08563	34.7
133.06468	4.1
133.10094	36.8
135.08035	15.1
135.11655	18.9
137.05954	7.0
137.09613	14.7
137.13263	8.0
139.07538	11.1
141.01787	6.3
141.07011	3.4
141.09088	7.8
142.07726	4.6
143.08548	13.0
145.10081	37.5
147.08043	12.6
147.11624	27.8
149.09590	10.4
149.13297	16.2
151.03905	12.5
151.14818	5.7
155.08530	8.4
155.10651	4.0
156.09297	3.5
157.10126	17.9
159.08026	5.3
159.11673	37.6
161.09637	17.0
161.13266	12.3
163.11156	8.2
163.14796	8.3
165.05548	3.9
165.09117	3.6
167.08553	5.8
169.04962	13.6
169.10147	9.7
170.11067	3.3
171.11705	19.8
173.09576	7.9
173.13249	22.2
175.07571	12.8
175.11191	15.2
175.14796	10.6
177.09067	5.6
177.12752	5.7
179.06973	4.5
179.10582	5.1
181.10133	8.4
183.11626	8.0
184.07425	5.0
184.12468	4.2
185.09589	5.5
185.13306	12.1
187.11148	12.3
187.14792	14.6
189.09157	4.7
189.12668	9.8
189.16364	4.3
193.08580	52.0
193.10231	4.9
195.11807	5.1
197.13269	9.2
199.11147	7.6
199.14857	9.2
201.12706	16.8
201.16440	10.6
203.17924	6.1
205.12164	4.0
207.11758	4.6
209.13310	4.3
211.09587	51.0
211.14775	8.5
213.12743	5.9
213.16399	5.3
215.14362	8.2
215.17970	5.7
219.13844	4.3
221.13341	5.1
225.16414	5.3
227.14224	5.5
227.17967	13.2
229.15823	6.9
229.19543	13.5
241.15829	5.1
241.19664	4.7
243.17358	5.2
245.19046	9.6
257.19012	4.4
261.18570	6.6
267.13696	3.9
271.20569	5.2
281.18961	4.8
311.20038	5.6
323.20270	4.7
341.21005	4.7
343.26346	7.3
349.25467	6.3
367.26270	33.3
385.27451	19.1
389.14337	3.2
445.27322	5.7
463.28351	7.5
481.29178	7.4
499.29883	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	499.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44526	5.4
55.01865	15.8
55.05494	28.0
67.05494	43.0
69.03452	5.8
69.07062	82.2
71.90221	5.6
79.05484	23.4
81.07052	49.0
83.04958	12.3
83.08630	9.1
91.05441	29.7
93.07039	55.6
95.01299	15.8
95.04940	13.9
95.08593	100.0
97.02875	42.7
97.06511	40.5
97.10122	9.0
99.00806	24.9
105.07027	55.3
107.08587	71.3
109.02888	10.8
109.06472	11.1
109.10133	41.8
111.04466	7.7
111.08064	15.7
116.73488	6.1
119.08568	52.1
121.06464	8.3
121.10136	58.7
123.00781	74.3
123.04443	7.9
123.08041	23.1
123.11699	16.6
128.06238	7.4
131.08521	32.3
131.38348	6.3
133.06480	9.9
133.10112	42.9
135.08028	16.0
135.11688	28.0
137.13203	6.5
139.07507	13.5
141.01866	12.2
141.06860	6.1
143.08507	23.0
145.10103	45.0
147.08040	20.6
147.11661	33.0
149.05948	6.5
149.09608	9.4
149.13206	28.1
149.22876	6.3
151.03891	17.2
155.08481	10.1
157.10132	32.2
159.08104	11.5
159.11626	41.3
161.09601	20.7
161.13246	17.1
163.14859	8.3
169.04955	9.6
169.10107	11.8
171.08153	6.5
171.11598	27.7
173.09630	13.4
173.13205	25.1
175.07552	28.7
175.11180	9.3
175.14832	21.4
179.07068	7.6
183.11667	14.7
185.13226	18.5
187.11179	16.5
187.14775	13.2
189.12737	16.1
193.08609	59.3
197.13268	15.0
199.11063	7.9
199.14842	12.9
201.12685	14.2
203.17999	7.4
209.13336	7.3
211.09583	81.7
211.11388	8.2
213.12701	6.7
215.14418	10.1
215.18054	9.3
217.15898	7.8
227.17880	18.4
229.16026	7.6
229.19478	14.1
243.17503	9.1
243.21138	6.5
245.18935	8.4
261.18384	11.0
269.18863	6.0
271.20578	12.0
289.21658	11.1
311.19971	7.1
334.16776	6.6
349.25378	10.3
366.80194	5.9
367.26343	39.9
385.27368	21.7
445.27432	10.7
463.28232	14.1
481.29718	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	499.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21984	5.2
53.03946	7.1
55.05496	19.7
67.05482	30.3
69.03413	7.1
69.07041	15.3
71.57567	9.8
71.57961	5.8
79.05482	34.5
80.42214	5.3
81.07054	43.0
82.64985	4.9
83.04977	19.7
91.05480	36.9
93.07047	50.0
95.04951	11.5
95.08598	100.0
97.06519	8.3
97.90449	5.5
99.04459	12.1
99.08107	6.5
101.02409	8.8
105.07024	67.7
107.04947	10.5
107.08575	52.7
109.06514	16.9
109.10185	25.8
111.04425	15.5
111.08071	15.7
117.06993	17.0
119.08577	56.1
121.06468	16.6
121.10117	33.7
123.08035	19.3
123.11707	11.0
125.09583	13.8
129.06990	16.5
131.08554	43.4
133.06509	7.5
133.10124	40.3
135.08035	21.0
135.11682	12.3
137.05951	15.2
137.09598	8.3
139.07513	8.5
139.11215	6.0
141.06955	11.2
142.07788	9.1
143.08540	30.6
145.06427	10.2
145.10118	53.8
147.08018	13.4
147.11659	24.3
149.09616	10.3
151.07475	7.0
155.08542	22.5
156.09311	11.1
157.10104	43.1
159.08011	9.7
159.11636	31.7
161.09615	20.2
163.03915	11.1
169.10088	24.8
170.10831	11.8
171.07971	9.1
171.11649	22.0
173.09651	12.3
173.13197	19.4
175.11136	10.1
177.09091	6.3
181.10170	18.9
183.11700	23.3
185.09669	9.0
185.13240	21.1
187.11128	19.0
187.14761	9.2
189.12723	13.5
192.09297	6.9
193.10057	8.4
195.11626	13.8
197.09578	7.4
197.13216	20.2
199.11116	10.7
199.14803	13.8
201.12741	6.5
205.10158	7.1
209.13231	19.4
211.14856	7.1
213.12753	21.4
213.16345	10.0
215.14149	6.3
219.11667	10.0
219.13741	7.7
221.13232	12.7
223.14784	12.9
225.12503	5.9
225.16351	12.6
227.14256	8.0
229.12260	8.7
229.15843	6.0
231.13635	12.1
233.13173	7.3
233.15355	8.9
235.14882	6.4
237.16307	7.0
239.14227	9.0
243.13803	12.5
245.15375	7.8
265.19321	6.2
271.17245	8.4
283.16803	9.0
285.18674	11.9
293.18704	10.0
305.19052	9.1
307.20551	8.8
311.20105	9.9
323.19855	8.8
325.21463	11.2
345.20419	20.8
365.24545	13.6
374.47571	6.4
403.26221	7.9
417.28082	9.1
425.26688	8.8
427.26273	8.6
445.27277	21.6
451.28308	7.3
463.28360	38.3
481.29489	39.1
499.30487	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	499.3051
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
53.09341	6.7
53.26634	7.4
55.01854	8.0
55.05494	28.7
63.57350	7.7
67.05489	60.3
69.07048	23.8
69.26630	59.3
69.27047	16.9
79.05481	47.3
81.07063	52.2
83.04967	25.1
83.08606	18.8
91.05468	51.9
93.07048	80.0
95.04967	24.8
95.08600	100.0
97.06505	16.3
99.04481	7.6
99.84869	7.4
105.07028	81.4
107.08575	76.0
109.06479	15.6
109.10145	41.2
111.04407	13.3
111.08015	12.4
113.02344	7.2
113.65281	7.1
117.07023	32.0
119.08569	78.5
121.06490	19.2
121.10116	37.9
123.08028	29.5
123.11674	13.5
124.81734	8.2
125.09652	7.4
129.06964	24.3
131.08559	57.5
133.06493	10.4
133.10110	60.4
135.08029	25.9
135.11667	25.2
137.05969	12.4
139.07512	11.3
141.06990	11.8
142.07787	10.2
142.61813	7.4
143.08524	47.2
145.06413	9.4
145.10127	78.3
147.08002	21.8
147.11652	29.8
149.09598	15.3
149.13237	10.9
155.08551	27.4
156.09300	18.9
157.10106	61.8
159.08046	16.4
159.11684	85.4
161.09625	28.6
161.13246	25.3
163.03900	12.7
164.00746	12.2
167.08545	16.1
168.09251	9.7
169.10100	36.9
170.10820	14.5
171.11687	34.6
173.09584	30.2
173.13280	31.1
175.11108	17.6
177.09177	8.2
177.12782	9.5
178.60809	9.4
179.08524	10.0
181.06403	10.0
181.10052	18.7
183.11638	23.5
185.13211	31.2
187.11171	23.2
187.14806	24.7
189.12799	17.5
193.10042	10.2
193.12300	9.5
195.11687	23.9
196.12415	9.7
197.09573	13.3
197.13254	41.8
199.11250	18.0
199.14771	8.9
201.09105	9.8
201.12794	10.9
203.14258	10.5
207.11685	21.9
208.12509	10.2
209.13231	22.5
211.11295	9.9
211.14786	24.1
213.12698	22.3
215.14246	14.5
219.37518	8.5
221.13245	24.4
223.14769	18.8
225.12802	8.3
227.14308	7.9
229.12175	16.2
229.15691	9.4
231.13913	12.1
235.14859	19.2
237.16336	10.2
251.14244	11.9
253.15840	10.1
253.19478	11.0
257.15323	25.6
265.15924	9.7
267.13675	8.6
275.16498	9.9
277.19437	15.4
281.18909	11.5
295.20441	10.6
305.19028	10.5
323.19891	9.9
341.21060	14.8
367.22278	8.8
387.22784	9.2
417.27881	30.9
427.26025	9.5
435.28836	25.6
445.27499	37.3
453.29938	13.6
463.28183	35.6
481.29105	52.1
499.29395	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
53.15796	5.0
55.01861	6.5
55.05498	20.0
59.15632	4.3
60.93815	5.4
61.02922	6.4
65.03935	8.9
66.68587	4.4
67.05497	38.1
69.03417	5.9
69.07072	13.3
71.04984	6.3
72.08146	8.4
79.05478	34.4
81.03419	5.8
81.07051	52.6
82.33937	4.6
83.04967	18.2
83.08601	12.5
85.02889	6.4
91.05482	47.1
92.17809	5.4
93.07044	70.4
95.04961	17.4
95.08599	100.0
97.06548	7.2
98.20711	12.6
105.07033	39.7
107.08595	60.7
108.84843	5.2
109.02901	6.2
109.06496	56.5
109.10141	28.7
111.04457	12.6
111.08074	8.6
117.07011	14.4
119.08588	52.1
121.06509	15.4
121.10149	32.0
123.08100	11.7
123.11703	6.5
128.06186	6.8
129.07008	11.3
131.08554	33.8
133.06476	9.2
133.10118	36.2
133.84067	5.1
135.08055	25.1
135.11646	10.8
137.05984	24.8
137.09621	13.2
137.36227	4.7
139.07559	12.8
142.07765	12.4
143.08536	28.5
145.06447	14.9
145.10091	52.0
147.08073	18.1
147.11682	27.0
149.09531	10.0
149.13269	10.5
155.07031	22.6
155.08539	20.0
156.09375	12.4
157.10130	34.7
158.11008	4.6
159.08078	19.1
159.11678	38.1
161.05978	6.3
161.09616	25.9
161.13255	18.3
163.03935	10.3
163.07518	7.9
167.08620	6.8
169.10106	24.4
171.08032	21.0
171.11673	36.2
173.09641	17.1
173.13246	11.1
175.07536	6.7
175.11115	9.9
175.14877	6.4
181.10100	11.7
183.11687	18.7
185.09634	15.7
185.13266	21.3
187.11162	17.2
187.14882	11.5
189.09172	9.7
189.12764	18.5
193.10129	7.1
195.11678	13.7
197.13240	16.1
199.11217	6.3
199.14783	9.4
201.12756	14.6
201.16403	9.3
203.10686	8.3
203.14203	8.2
205.12201	7.9
207.11696	8.8
207.13681	6.2
209.09662	9.0
209.13222	6.7
211.14883	9.5
213.12738	40.5
215.14281	12.9
217.12173	5.8
219.13724	6.5
221.13200	7.3
225.16393	8.4
227.14328	19.7
229.12192	8.2
229.15950	5.7
229.34036	6.5
231.13838	19.7
233.15459	9.1
237.12709	5.8
239.14146	6.1
243.13814	7.6
245.15344	17.9
251.17755	6.3
255.13980	5.4
257.15280	11.6
259.17322	6.4
267.17297	6.9
271.16788	5.8
297.22086	5.9
325.21661	12.6
327.23267	20.4
343.22647	7.5
417.27737	11.4
427.26273	6.4
435.28989	12.7
445.27298	39.6
463.28305	36.1
481.29391	34.7
499.30313	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	500.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.7
65.16901	1.2
67.05502	7.8
69.07051	2.2
71.26833	2.5
79.05470	3.1
80.11681	1.2
81.07055	6.9
83.04964	7.3
83.83887	1.1
86.09704	1.7
89.10641	1.1
91.05468	6.0
93.07034	12.4
95.04925	1.8
95.08594	26.5
97.06522	1.3
97.73886	1.2
99.04359	1.1
104.75571	1.0
105.07021	8.2
107.08580	9.5
109.06477	2.2
109.10135	3.2
111.04430	3.9
111.08074	5.9
113.05971	1.6
119.08548	10.6
121.10127	8.3
123.08041	3.3
123.11674	2.6
129.06979	4.1
131.08543	7.3
133.10130	11.4
135.08034	1.7
135.11665	5.1
137.09570	1.2
139.07504	2.8
141.09126	2.2
142.07741	3.4
143.08548	10.4
145.10088	7.2
147.08101	1.1
147.11656	4.5
149.09613	1.6
149.13266	2.3
151.07475	1.3
155.08577	5.9
156.09300	1.6
157.10123	8.8
159.08020	2.7
159.11649	8.4
161.09647	3.1
161.13226	2.3
165.06902	1.3
167.08418	1.3
168.09291	1.8
169.10091	6.9
171.11662	7.1
173.09583	4.1
173.13258	4.0
175.11172	2.4
177.09056	2.9
179.08511	2.3
181.10109	6.4
183.11642	5.7
185.09616	2.9
185.13283	6.4
187.11185	3.5
187.14749	3.1
187.97394	1.2
191.10602	1.8
193.10158	2.6
195.11696	5.8
197.13191	6.9
199.11160	4.9
199.14912	1.8
203.10680	2.7
205.12143	2.0
207.11649	2.4
209.13266	6.7
211.14749	2.5
213.12621	2.3
215.14224	1.3
217.12245	3.6
219.13745	3.1
221.13264	2.7
223.14816	5.9
225.16336	2.3
227.10553	1.6
227.14294	2.8
231.13744	3.1
233.15337	5.2
235.14726	1.3
237.16464	1.5
245.15346	5.3
257.15375	8.6
265.15839	2.3
269.15259	3.7
277.01788	1.3
283.16946	7.1
285.18442	2.6
287.20126	2.3
296.05289	1.3
297.18301	1.7
305.19006	1.5
307.20395	1.8
311.19946	1.5
323.19919	2.1
325.21442	4.7
333.21826	1.8
407.25827	1.4
419.29352	2.6
425.26730	2.0
429.27747	5.6
447.28766	5.5
465.29990	100.0
466.30423	7.2
500.31055	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	500.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	18.4
67.05486	46.8
69.95267	57.1
70.53963	16.4
79.05465	24.9
81.07034	32.6
86.71790	15.0
91.05449	38.8
93.07008	46.6
95.08596	100.0
98.20765	22.8
105.06999	35.6
107.08559	32.9
117.06974	17.4
119.08550	57.2
121.10130	18.9
126.67924	15.9
128.16786	16.1
131.08517	34.2
143.08519	27.4
145.10033	48.4
147.11668	20.3
155.08565	21.1
157.10094	46.8
159.11682	20.9
166.75488	16.3
191.10570	21.8
217.12187	18.3
249.16393	23.3
257.15372	18.8
285.18329	30.0
297.54559	18.6
343.77072	17.4
389.24695	31.0
392.34344	15.1
407.25757	65.6
425.26801	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25391	4.7
55.05494	10.3
57.07055	7.6
57.94393	4.5
62.24391	4.0
64.51530	4.8
67.05482	19.2
68.95885	5.2
69.07032	9.6
69.43300	29.9
69.43726	13.0
79.05439	11.1
81.07030	20.5
83.04955	8.8
86.09688	5.9
87.10041	4.6
91.05451	15.0
93.07037	26.3
95.08592	56.8
97.06504	7.4
104.10724	12.8
105.07001	21.2
105.11061	4.6
107.08572	28.5
109.06503	5.9
109.10138	16.8
111.04456	5.9
117.06970	5.2
119.08556	34.0
121.06466	10.0
121.10102	23.1
123.08082	6.6
129.06958	8.7
131.08557	22.8
133.10063	27.3
135.11658	7.3
143.08528	24.1
145.10110	25.7
147.08028	5.3
147.11650	16.1
149.09567	6.0
155.08530	10.6
156.09335	6.6
157.10094	27.0
159.08035	5.6
159.11650	39.9
161.09544	10.8
161.13255	7.9
163.11179	7.6
169.10097	8.4
170.10774	6.3
171.11612	28.0
173.09697	6.7
173.13254	15.6
175.11259	6.9
181.10085	7.3
183.11638	14.1
184.07367	5.4
185.13216	16.8
187.11108	9.1
187.14780	5.5
195.11618	7.1
197.13269	11.5
199.14732	7.6
201.12717	8.7
207.11794	5.4
209.13281	15.1
211.14783	16.5
213.12802	12.5
213.16371	6.0
215.14302	8.5
217.12309	7.0
219.13737	9.5
223.14760	15.5
225.16286	5.2
227.14307	4.8
231.13779	10.5
233.15303	7.8
235.14713	7.2
245.15480	11.5
247.14754	6.2
249.16336	7.3
257.15298	8.6
265.19574	8.8
269.15219	4.5
273.18414	14.2
283.16852	8.5
285.18396	5.8
299.19998	7.0
307.20557	9.8
325.21619	16.8
336.25864	13.0
337.27179	5.8
401.28070	5.1
405.28085	9.7
419.29437	11.4
429.27786	12.2
447.28833	32.1
465.30042	100.0
483.30972	12.1
500.30060	9.0
501.30807	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	501.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.01884	1.6
65.03927	2.5
65.97771	1.2
67.05490	3.0
68.50127	1.1
69.07038	2.4
70.06602	2.1
71.54673	1.4
71.55025	1.4
77.96793	1.1
79.05483	2.7
80.42432	1.2
81.07043	3.9
83.04978	1.8
86.09690	1.5
89.03889	7.4
91.05470	17.5
91.10514	1.4
93.07030	3.8
94.94434	1.3
95.04166	1.0
95.04945	2.4
95.08591	2.8
105.07024	2.8
106.51952	1.2
107.04939	2.3
107.08604	2.4
109.10136	2.3
111.04398	2.0
117.03345	4.1
119.04932	33.8
119.08583	2.1
121.06487	1.1
121.10124	2.0
123.11760	1.7
127.03928	1.8
131.08553	2.1
133.10112	1.3
135.04413	12.2
137.05954	3.5
145.02826	8.3
147.04395	100.0
148.04761	2.7
159.11768	1.5
163.03889	60.9
164.04358	1.2
165.09084	1.6
173.06131	1.5
175.07562	1.7
303.08578	2.7
315.10223	1.3
319.08020	2.0
483.12720	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	501.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36074	5.0
55.05511	11.3
67.05485	34.9
69.07056	27.8
70.19576	30.2
79.05468	28.3
79.58183	6.1
79.88194	5.5
81.07030	48.1
83.08613	6.1
91.05475	39.7
92.34323	6.2
93.07038	60.0
95.04971	16.7
95.08596	100.0
97.06521	9.8
104.10131	7.5
105.07028	54.8
107.08575	77.9
109.06485	9.7
109.10111	32.5
111.08070	15.7
113.06000	7.8
113.09650	12.1
117.06968	18.5
119.08567	65.6
121.06480	14.7
121.10120	48.1
123.08044	17.5
123.11698	14.6
127.07494	7.6
129.06989	9.3
131.08568	43.3
133.10147	46.8
135.08038	20.2
135.11668	24.7
142.07784	8.8
143.08514	17.9
144.09262	7.2
145.10117	63.0
147.08009	18.8
147.11650	26.7
149.09602	13.3
151.07501	8.7
155.08504	14.7
157.10136	36.3
159.08049	11.2
159.11639	44.5
161.09612	21.1
161.13280	16.9
163.07455	9.2
163.11163	8.8
169.10088	11.5
171.11665	25.7
173.09586	11.1
173.13251	29.3
175.11169	24.1
175.14886	9.2
179.10594	7.4
183.11679	12.0
185.13214	14.8
187.11211	11.5
187.14865	18.0
189.12691	10.7
191.10576	6.1
193.08606	11.7
193.12241	9.6
197.13255	12.2
199.14737	16.3
201.12746	15.3
201.16292	13.4
203.14256	6.8
211.14900	7.6
213.12711	15.0
213.16373	8.5
215.14217	16.8
217.15938	9.0
229.15979	7.9
231.13841	6.9
233.15379	8.1
235.13329	7.8
235.16840	9.8
247.17035	7.7
331.58072	6.6
337.27045	23.6
356.15384	6.4
419.29312	12.0
437.30539	21.2
453.24921	7.0
455.31763	12.9
465.29688	13.0
483.30957	46.0
501.26022	75.2
501.32147	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3205
Annotation	Tomoeone B
Peak:m/z	Relative Intensity
53.03941	2.6
55.01860	5.6
55.05500	7.8
57.03429	2.0
57.07060	2.2
65.03931	2.3
67.05498	22.9
69.03415	3.7
69.07056	19.1
69.91486	3.5
69.91886	6.1
71.04982	3.5
79.05484	17.9
81.03403	4.2
81.07044	44.9
83.04974	7.8
83.08604	5.6
90.81113	1.8
91.05478	20.1
93.07025	35.5
95.04951	9.9
95.08596	55.1
97.06508	16.2
98.20768	2.1
99.04461	3.1
99.08100	6.8
101.02385	5.4
105.07017	28.8
107.04982	2.7
107.08575	52.0
107.09258	3.5
109.06512	10.8
109.10152	19.5
111.04462	5.8
111.08089	8.7
117.07022	7.6
118.54688	1.8
119.08556	34.0
121.06506	7.1
121.10113	20.7
123.08049	18.3
123.11726	7.5
125.05981	2.2
125.09660	2.6
128.06226	3.3
129.07008	5.1
131.08563	14.4
133.06448	3.6
133.10112	20.0
135.08043	7.1
135.11638	12.0
137.05956	11.0
137.09537	4.5
139.07535	6.8
139.11159	3.0
141.09128	6.8
143.08559	9.5
145.10112	18.6
147.08047	6.0
147.11664	35.2
149.09627	10.6
149.13269	10.2
153.09114	1.9
155.08646	2.2
157.10080	13.7
159.11650	17.1
161.09648	8.0
161.13258	6.7
163.11186	5.3
163.14835	2.4
164.76485	2.1
167.08652	1.8
167.10706	5.3
169.10170	4.9
171.08026	2.2
171.11678	13.5
173.09636	5.7
173.13229	11.6
175.11214	6.1
175.14801	4.5
176.33470	2.1
177.09155	2.7
177.12820	3.2
177.16507	2.0
179.10693	3.1
183.11693	9.3
184.12596	2.3
185.09648	2.9
185.13306	6.8
187.11200	9.0
187.14783	4.5
189.12759	5.6
189.16435	2.3
191.08894	1.8
191.10680	3.6
193.12202	2.7
195.11720	4.1
197.13301	5.7
199.11230	4.1
199.14900	5.2
201.12794	7.2
201.16309	2.5
203.14362	3.3
205.12265	1.9
207.10112	1.9
209.13309	3.5
211.14876	3.2
213.12700	5.1
213.16408	3.5
215.14369	3.4
215.18013	2.5
219.13803	3.1
223.14757	2.9
227.14375	2.5
229.12354	2.1
229.15846	2.7
231.13847	5.7
233.15408	4.4
235.16943	2.6
241.15930	2.1
245.15388	3.4
245.18999	2.9
251.18092	2.6
253.19621	2.3
257.15353	4.1
269.19037	3.4
275.16431	2.4
277.39130	2.1
287.19843	9.3
289.21698	2.9
325.21631	6.4
343.22589	3.8
352.60516	1.8
367.22604	3.1
369.24295	3.2
382.67471	1.8
385.23621	2.0
385.27481	26.8
437.30673	4.2
441.30072	2.4
447.28738	9.1
465.30051	15.9
483.31033	69.2
484.30972	3.5
501.32141	100.0
502.32544	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	501.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01863	5.5
55.05505	64.1
55.94681	2.2
57.03432	34.4
57.07069	62.0
58.96191	2.3
63.59507	2.6
64.14244	2.4
67.05498	74.8
69.07061	91.0
69.23663	4.8
69.24065	22.1
71.04985	5.8
71.08626	35.3
75.04474	11.2
79.05480	34.6
79.52644	2.1
81.07046	100.0
83.04961	5.2
83.08605	70.1
85.06523	3.4
85.10166	22.3
91.05471	8.5
93.07034	37.7
95.04980	2.9
95.08597	97.9
97.06520	17.4
97.10159	62.6
101.06000	3.2
102.97991	2.5
107.08588	34.0
109.10140	43.0
109.10822	3.9
111.08092	12.2
111.11712	16.7
113.06049	2.7
115.07557	6.0
117.07043	2.3
119.08562	5.4
121.10126	38.9
123.11694	22.5
125.09632	11.6
129.09081	3.9
131.07039	6.1
131.08540	4.4
133.10106	3.6
135.11678	34.1
137.13266	10.8
139.11169	9.4
143.10670	3.0
145.10115	4.1
149.13258	21.4
153.12724	7.7
163.14825	10.6
167.14220	5.4
171.13805	3.9
177.16403	6.0
181.15877	7.2
191.17863	5.9
193.19452	2.8
195.17409	5.3
199.16908	2.4
205.19406	3.3
209.19023	3.9
213.18484	3.4
219.21062	3.7
223.20627	4.2
289.28851	10.6
299.27377	3.8
307.29941	25.3
317.28284	16.5
335.29340	41.0
353.30692	4.1
371.31534	95.9
372.32040	3.3
409.33051	58.6
427.34161	77.7
483.36804	29.2
501.30780	3.8
501.37766	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01875	1.7
57.03448	2.1
67.05504	2.0
69.03415	8.9
69.31268	9.4
71.04988	1.6
73.02895	1.6
79.05498	2.8
81.03423	3.1
81.07068	3.6
85.02895	12.9
91.05505	4.2
93.07057	2.7
94.04201	3.0
95.04967	1.5
95.08591	1.4
97.02876	6.8
97.06544	1.6
99.04453	1.2
103.05478	2.8
105.07030	5.6
109.02908	1.6
109.06523	2.2
109.10179	1.0
115.05463	3.5
117.07011	1.9
119.04944	0.9
119.08629	3.2
121.10169	1.0
122.03622	6.5
123.08073	0.9
125.14575	0.9
127.03945	3.1
128.06224	2.5
129.07043	1.9
131.04936	3.1
132.05722	1.6
133.06476	3.2
137.05957	100.0
138.06305	1.7
141.07059	1.0
145.04967	1.6
145.06496	1.1
145.10165	1.2
146.03676	1.5
147.08061	3.4
149.05998	2.6
151.07559	2.5
156.05742	1.1
159.08069	1.6
159.11732	1.2
160.05193	1.7
161.05934	11.1
163.03902	2.6
163.07552	6.2
165.09184	3.3
167.05592	1.2
171.08102	2.1
175.07521	36.9
175.08983	1.9
177.05435	1.2
177.09152	2.5
184.05107	1.6
187.07542	4.7
189.06966	1.0
190.07719	1.2
191.08499	4.4
199.07486	14.5
201.09033	1.6
202.07779	4.7
203.08478	7.4
204.85019	1.0
205.06631	1.4
205.10323	0.9
205.12285	1.2
209.90311	1.2
219.08064	8.1
220.08856	3.2
231.08055	8.6
232.08875	2.0
233.09549	1.1
235.07602	1.1
237.09129	1.8
247.07680	4.2
248.08517	4.9
248.10838	1.2
249.09265	1.1
251.10553	7.3
259.07617	7.3
260.08331	2.6
261.09070	1.8
263.10593	5.1
265.08643	2.1
276.07825	3.6
277.08649	3.8
279.10123	7.4
280.10791	1.6
291.10126	13.4
292.10965	4.1
293.07727	1.2
295.09888	1.2
295.13425	1.8
308.10358	1.6
311.12720	18.7
323.12717	22.3
323.16232	1.7
325.14230	1.6
341.13791	1.9
459.32108	0.9
503.20193	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	503.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06070	0.6
67.05482	2.6
71.53439	0.9
73.73100	0.6
79.05482	1.3
81.07034	2.0
91.05431	1.8
93.07054	0.9
95.08591	1.4
98.98473	0.8
105.06996	1.6
109.10154	2.0
119.08571	0.8
131.08607	0.8
133.10100	0.8
159.11728	0.7
166.28682	0.6
178.13029	0.7
179.14330	1.3
223.39296	0.7
299.06244	1.3
319.07938	0.8
331.26089	1.0
339.57324	0.7
382.52826	1.0
441.27637	8.9
459.28412	0.9
482.30161	0.9
485.26584	38.5
486.26962	2.2
503.27594	100.0
504.27679	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	503.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34796	1.0
52.48660	1.1
53.03937	5.5
55.01873	2.1
55.05503	43.2
56.55651	1.0
57.03426	1.4
57.07068	17.8
67.05493	15.6
69.03429	1.4
69.07059	44.2
69.38481	6.7
69.38911	3.2
71.04985	1.4
71.08622	12.3
71.79837	0.9
79.05476	12.6
81.03409	100.0
81.07037	10.6
83.04972	4.5
83.08607	55.0
85.06557	1.1
85.10184	5.9
91.05467	18.0
93.07030	8.2
95.04955	26.7
95.08611	4.9
97.02873	2.3
97.06528	2.4
97.10157	35.6
105.07014	15.5
107.04955	5.1
107.08601	4.7
107.45811	1.2
109.06494	1.6
109.10101	1.9
111.04434	1.6
111.08086	8.9
111.11703	10.5
115.05427	1.3
117.07024	2.2
119.08562	10.3
121.06507	2.6
121.10148	4.5
125.13245	2.5
128.06323	0.9
129.07002	10.0
131.08551	7.5
133.06482	3.5
133.10085	6.2
135.11732	1.4
137.09636	1.7
142.07800	2.7
145.10104	1.2
147.08049	2.7
147.11688	6.0
149.09622	3.5
157.10133	9.1
165.12798	1.9
175.11177	11.5
193.12212	42.9
199.98451	1.0
231.13951	1.0
237.22079	1.5
249.14799	9.5
249.16805	1.0
323.64554	1.3
394.12088	1.1
503.37378	94.9
504.37527	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3725
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03942	5.2
55.01868	1.2
55.05504	24.2
55.55228	0.9
57.03429	3.5
57.07072	6.8
59.04997	1.8
59.55865	0.7
62.44795	0.7
65.03925	2.4
67.05497	67.9
69.03455	1.0
69.07061	20.1
69.45018	0.7
70.78670	1.6
70.79004	1.7
71.04980	7.4
71.08629	1.9
79.05132	0.9
79.05482	36.2
81.03408	25.2
81.07047	100.0
83.04971	2.9
83.08612	19.1
83.09095	1.2
85.06534	11.0
85.10185	1.0
91.04890	1.6
91.05467	28.1
93.07034	29.7
95.04951	10.0
95.08596	22.1
97.06501	1.9
97.10159	10.8
105.07016	16.9
107.04955	1.9
107.08573	20.0
109.06501	1.5
109.10151	11.0
111.08087	2.6
111.11700	3.2
113.87570	0.9
117.06984	5.3
119.08562	11.9
121.06406	0.8
121.10117	17.4
123.08099	1.1
123.11685	14.4
129.06989	3.7
131.08537	7.5
133.10100	15.1
135.11678	9.8
141.06924	0.9
143.08565	1.2
145.10083	5.7
147.11684	8.5
149.13280	3.7
151.11176	6.6
153.12724	1.4
157.10081	4.6
159.11667	4.3
161.13303	3.7
163.14842	1.3
166.55719	0.9
169.12218	2.2
171.11729	1.6
173.13126	4.1
175.11249	2.8
175.14812	1.3
185.13295	1.0
187.13298	9.7
187.14796	1.8
193.12259	10.6
199.14752	1.1
201.16341	1.0
224.92574	0.8
227.16322	1.5
237.26321	1.0
238.05833	0.8
249.14912	2.8
261.22086	2.4
393.31476	2.3
411.32739	2.3
447.34955	1.0
485.36484	3.0
503.37338	99.7
504.37692	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	504.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.6
57.07068	7.7
67.05501	27.7
69.07054	21.6
69.48055	21.1
69.48463	9.2
71.04988	4.4
79.05480	16.6
81.03409	7.2
81.07039	32.7
83.04979	11.5
83.08617	18.3
91.05457	16.2
93.07047	31.8
95.04942	4.4
95.08597	73.5
97.06516	7.9
97.10148	16.6
99.04446	7.7
99.27280	3.7
103.05470	3.7
105.06990	24.7
107.08590	39.2
109.10135	34.8
111.04393	6.7
111.08069	7.2
119.08553	29.9
121.06493	3.7
121.10123	30.6
123.08054	8.0
123.11675	9.5
125.09634	5.1
129.07007	7.6
131.08527	23.3
133.10100	34.2
135.07991	5.8
135.11693	14.3
137.09616	5.9
139.07521	5.7
143.08534	8.4
145.10124	39.0
147.08096	4.9
147.11688	24.2
149.02348	5.9
149.09608	4.5
149.13251	5.5
157.10121	21.6
159.11707	35.0
161.09630	12.9
161.13202	19.0
163.00117	3.7
163.11203	6.1
167.08997	3.9
169.10158	6.1
171.11664	18.1
173.09549	5.8
173.13234	25.4
175.11169	12.2
175.14818	9.4
179.10538	4.2
181.12262	4.9
183.11681	9.3
185.09634	5.7
185.13278	12.7
187.11115	7.1
187.14853	21.1
189.16364	6.0
193.12265	4.6
195.00290	32.7
195.11780	4.6
197.13158	10.2
199.11229	5.1
199.14867	9.3
201.12733	9.9
201.16327	5.5
201.44006	3.8
203.14198	6.2
209.13150	4.6
211.14841	10.5
213.12717	8.0
213.16380	8.3
215.14333	10.8
217.15822	5.1
219.13838	4.7
219.17418	6.9
221.13240	3.9
221.15321	6.1
223.14934	4.8
223.16885	5.3
225.16403	5.2
227.14328	8.0
227.17921	5.8
229.15816	6.3
231.13585	4.8
231.17424	8.3
233.15399	9.1
235.16847	8.6
237.16307	7.4
237.18471	5.1
241.19647	3.9
245.15402	9.3
247.17053	9.5
249.18501	7.1
257.18866	3.9
265.19400	7.1
273.18494	5.7
287.20047	5.4
293.19202	4.2
293.22690	10.9
299.20056	4.8
309.22076	6.4
311.23444	5.3
313.21667	5.7
327.23251	12.6
329.24533	8.1
381.24234	7.1
387.25244	9.6
409.31119	59.8
413.26727	6.2
433.30948	48.9
451.31961	100.0
469.33118	53.6
504.36951	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	505.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03929	1.3
54.38942	0.6
55.01860	1.5
55.05489	0.7
57.03399	0.8
65.03938	1.0
69.03420	5.0
69.77101	3.5
73.02913	1.1
79.05473	2.2
81.03408	5.5
83.04960	0.9
84.04501	0.9
85.02875	4.2
91.05453	6.9
93.07015	0.7
94.04167	2.0
94.10211	0.5
95.04971	1.9
97.02876	1.3
99.04411	0.8
103.05475	3.6
105.07025	8.1
107.04926	1.6
109.02879	2.1
109.06516	0.7
112.13858	0.5
115.05454	0.8
115.22876	0.6
115.94442	0.5
117.06984	1.2
119.04929	6.3
121.06450	0.7
122.03638	5.2
127.03876	3.0
128.06129	0.6
129.07018	1.1
130.04988	1.3
131.03419	0.9
131.04893	4.2
131.08557	0.8
133.06474	7.6
135.08029	0.7
136.05206	0.7
137.05962	100.0
138.06273	1.1
145.06461	1.3
147.04407	4.5
147.07668	2.2
149.05928	1.4
151.03922	1.5
151.07527	36.1
153.09084	0.8
161.05981	2.8
161.09554	0.8
162.06682	1.0
163.07542	4.1
164.04630	1.4
165.06863	0.8
165.09131	4.6
169.06477	0.8
171.07979	0.8
173.05907	1.0
175.07549	3.4
177.05452	1.8
177.09116	2.0
179.07019	31.7
181.06473	0.8
187.07475	1.5
189.09123	1.5
189.79517	0.6
191.06995	1.9
193.08623	2.1
195.10201	0.9
197.05894	0.6
201.09123	1.6
203.06995	1.6
205.08551	1.6
209.07874	0.9
217.08492	1.3
219.10042	0.7
229.08627	1.0
231.10063	0.9
237.09073	0.8
245.07964	0.7
267.10333	0.6
273.11115	2.1
291.12384	0.8
297.11017	0.7
299.12900	1.0
303.04996	0.8
309.11206	0.8
311.13055	1.0
323.11191	0.8
327.04904	1.0
341.13864	0.9
343.15320	1.7
344.07587	1.9
361.03992	0.9
362.04068	0.7
377.01495	0.7
505.19623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51921	10.2
55.01851	16.0
55.05499	18.2
63.35013	10.1
67.05484	22.5
69.03417	15.5
69.07063	15.6
70.76819	36.2
71.04984	15.9
75.51865	10.9
79.05491	14.9
81.07046	100.0
83.08627	9.7
85.02894	26.8
85.83549	11.1
87.00824	20.2
91.05470	23.0
93.07045	51.9
95.08589	58.6
97.02890	22.1
98.97578	20.6
99.08105	12.0
105.07016	29.1
106.65946	10.8
107.08600	67.3
109.10130	45.8
111.04455	10.8
116.98591	12.5
119.08566	60.3
121.06418	11.0
121.10114	22.2
123.08076	18.0
123.11663	28.3
125.09653	11.1
127.03890	15.7
127.11177	18.4
131.08571	16.0
133.10088	42.3
135.11659	83.7
137.05978	34.6
137.09509	20.9
143.10677	10.9
145.10115	10.7
147.11638	27.6
149.13307	13.7
161.13260	14.8
165.09102	38.0
175.14850	18.6
180.82037	9.3
193.15779	18.4
203.17928	43.6
209.13069	13.0
211.16920	30.4
221.18982	34.8
525.27979	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	505.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05487	11.1
57.07071	5.7
65.03936	4.6
67.05154	4.8
67.05495	54.9
69.07048	9.8
70.17364	15.9
71.05001	3.2
79.05480	26.4
79.92313	3.2
81.03413	4.9
81.07041	39.3
83.04982	4.4
83.08596	4.1
84.56467	3.0
86.09729	4.8
91.05460	33.9
93.07029	39.1
95.04946	6.2
95.08586	27.1
97.02882	4.4
97.10147	3.6
100.42339	3.1
104.10725	12.4
105.07022	37.7
107.04979	2.9
107.08569	32.6
109.02875	6.7
109.06489	8.2
109.10147	38.9
110.10427	3.7
111.08054	8.8
112.27920	3.5
117.06998	12.6
119.08566	38.4
121.10111	30.1
123.08050	5.9
123.11687	11.6
125.09618	4.9
128.06158	7.7
129.07008	12.2
131.08559	24.5
133.06461	4.6
133.10110	27.6
135.08025	7.6
135.11668	13.3
137.05956	15.9
139.07501	6.6
141.07057	4.1
142.07762	10.3
143.08549	28.2
144.09279	4.4
145.06450	6.8
145.10094	21.7
147.08069	5.9
147.11676	25.9
149.09544	4.5
149.13205	4.4
151.11235	4.2
153.06981	7.4
155.08575	12.8
156.09319	9.5
157.06490	13.5
157.10124	26.3
158.38126	3.1
159.08023	13.3
159.11678	15.8
161.09526	5.0
161.13226	8.7
165.07074	4.0
167.08575	5.2
168.09250	3.5
168.19226	3.8
169.10117	9.0
170.10919	6.6
171.08035	61.8
171.11652	17.5
173.09637	10.7
173.11794	7.6
173.13242	11.2
175.14856	7.4
179.08603	3.6
181.10110	9.5
183.08038	14.4
183.11705	8.9
184.07373	15.0
185.09586	12.6
185.13216	21.9
187.11203	5.7
187.14838	7.3
193.10130	5.0
195.07999	3.5
195.11749	5.9
197.09677	3.5
197.13272	9.6
198.10368	8.0
199.11165	11.6
199.14830	9.3
201.12692	14.7
203.10504	3.8
203.14243	4.4
207.11684	6.5
209.13275	8.8
211.11172	9.4
211.14809	7.0
213.12717	83.9
213.16008	3.1
215.14322	14.2
217.12195	3.9
223.11148	4.8
223.14732	6.7
225.12720	7.2
227.14328	9.0
229.14244	18.4
231.13753	7.1
241.19527	8.9
245.13254	3.6
247.14861	6.0
251.14198	4.7
259.20520	23.6
265.15845	8.5
265.19485	4.6
293.18884	4.1
293.83047	3.3
305.19012	6.9
307.20462	15.0
317.22522	4.1
333.24115	12.0
335.23441	16.4
340.79205	3.7
409.25531	4.2
427.26169	12.5
443.29001	6.1
445.27225	11.5
447.24942	15.8
477.29904	9.8
487.28113	69.7
487.34760	6.2
505.29160	100.0
505.35147	4.2
517.22504	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	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07592	1.0
53.03938	1.3
55.05500	7.0
57.03417	1.8
67.05498	14.7
69.03408	3.9
69.07070	6.5
70.79406	3.6
71.04973	1.2
77.80292	1.0
79.05492	5.8
79.05885	1.0
81.03395	1.2
81.07047	12.9
83.01306	1.8
83.04958	3.5
83.08599	2.5
85.02886	1.4
85.06541	5.7
91.05450	7.5
93.07037	9.2
95.04944	4.3
95.08593	31.8
97.06525	3.1
97.10149	4.1
99.04427	1.7
101.06003	1.4
105.07029	6.5
107.04916	1.9
107.08586	12.0
109.02850	1.4
109.06490	3.3
109.10136	13.5
111.04420	6.1
111.08058	4.1
113.05988	3.8
113.09628	3.2
117.07001	2.4
119.04942	1.1
119.08549	5.2
121.06485	2.7
121.10136	7.5
122.07303	1.5
123.08038	9.1
123.11686	3.1
125.09644	5.4
129.09125	2.0
131.08556	10.7
133.10103	4.0
135.08040	10.5
135.11667	4.3
137.05956	4.1
137.08630	1.3
137.09598	13.0
139.07477	2.8
139.11131	1.6
141.09116	5.1
143.08514	2.0
143.10658	1.3
145.10095	5.5
147.04445	1.2
147.08041	1.8
147.11673	3.5
149.09608	11.8
149.13190	1.9
151.07527	30.9
151.11157	1.5
153.09093	1.8
157.08560	2.0
157.10097	1.7
159.08032	11.1
159.11623	3.2
161.05945	2.0
161.09563	3.3
161.13196	1.6
162.06769	5.0
163.07497	1.9
163.11160	6.2
165.09093	82.2
169.08583	1.8
169.10005	1.5
169.12195	1.1
171.10155	1.4
171.11650	0.9
172.08795	1.7
173.09656	5.8
173.13281	1.9
174.06816	1.2
175.07475	4.3
175.11148	3.0
176.08313	4.8
177.09085	100.0
178.09520	1.7
179.10597	2.0
183.10118	1.1
183.11642	1.1
185.09581	3.8
187.09622	5.2
187.11177	4.4
188.08305	2.8
189.09062	9.1
189.12749	2.2
190.09830	4.2
191.08878	2.2
191.10648	44.8
195.09999	1.6
197.09514	0.9
197.75066	1.0
199.11186	5.9
201.09111	4.9
201.12697	1.3
201.16466	1.1
202.09804	1.3
203.07088	1.6
203.10632	19.7
205.12216	46.6
213.12665	1.5
215.10670	4.4
217.12224	6.9
219.13742	1.8
221.11542	1.2
229.12222	4.1
231.13699	4.7
233.15341	2.0
243.13658	1.6
245.15372	2.5
253.15689	1.1
255.17383	1.2
257.15012	1.2
265.18069	1.5
271.16849	4.4
285.18408	1.3
287.19846	2.4
289.21689	1.3
297.11099	1.5
297.18509	3.9
299.19891	2.4
301.21381	1.4
315.19623	3.7
404.84464	1.2
405.27820	2.3
406.23334	1.0
423.28732	4.1
441.29913	6.2
451.28799	1.2
469.29852	5.9
487.30765	9.0
505.31741	6.5
505.89542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07592	1.0
53.03938	1.3
55.05500	7.0
57.03417	1.8
67.05498	14.7
69.03408	3.9
69.07070	6.5
70.79406	3.6
71.04973	1.2
77.80292	1.0
79.05492	5.8
79.05885	1.0
81.03395	1.2
81.07047	12.9
83.01306	1.8
83.04958	3.5
83.08599	2.5
85.02886	1.4
85.06541	5.7
91.05450	7.5
93.07037	9.2
95.04944	4.3
95.08593	31.8
97.06525	3.1
97.10149	4.1
99.04427	1.7
101.06003	1.4
105.07029	6.5
107.04916	1.9
107.08586	12.0
109.02850	1.4
109.06490	3.3
109.10136	13.5
111.04420	6.1
111.08058	4.1
113.05988	3.8
113.09628	3.2
117.07001	2.4
119.04942	1.1
119.08549	5.2
121.06485	2.7
121.10136	7.5
122.07303	1.5
123.08038	9.1
123.11686	3.1
125.09644	5.4
129.09125	2.0
131.08556	10.7
133.10103	4.0
135.08040	10.5
135.11667	4.3
137.05956	4.1
137.08630	1.3
137.09598	13.0
139.07477	2.8
139.11131	1.6
141.09116	5.1
143.08514	2.0
143.10658	1.3
145.10095	5.5
147.04445	1.2
147.08041	1.8
147.11673	3.5
149.09608	11.8
149.13190	1.9
151.07527	30.9
151.11157	1.5
153.09093	1.8
157.08560	2.0
157.10097	1.7
159.08032	11.1
159.11623	3.2
161.05945	2.0
161.09563	3.3
161.13196	1.6
162.06769	5.0
163.07497	1.9
163.11160	6.2
165.09093	82.2
169.08583	1.8
169.10005	1.5
169.12195	1.1
171.10155	1.4
171.11650	0.9
172.08795	1.7
173.09656	5.8
173.13281	1.9
174.06816	1.2
175.07475	4.3
175.11148	3.0
176.08313	4.8
177.09085	100.0
178.09520	1.7
179.10597	2.0
183.10118	1.1
183.11642	1.1
185.09581	3.8
187.09622	5.2
187.11177	4.4
188.08305	2.8
189.09062	9.1
189.12749	2.2
190.09830	4.2
191.08878	2.2
191.10648	44.8
195.09999	1.6
197.09514	0.9
197.75066	1.0
199.11186	5.9
201.09111	4.9
201.12697	1.3
201.16466	1.1
202.09804	1.3
203.07088	1.6
203.10632	19.7
205.12216	46.6
213.12665	1.5
215.10670	4.4
217.12224	6.9
219.13742	1.8
221.11542	1.2
229.12222	4.1
231.13699	4.7
233.15341	2.0
243.13658	1.6
245.15372	2.5
253.15689	1.1
255.17383	1.2
257.15012	1.2
265.18069	1.5
271.16849	4.4
285.18408	1.3
287.19846	2.4
289.21689	1.3
297.11099	1.5
297.18509	3.9
299.19891	2.4
301.21381	1.4
315.19623	3.7
404.84464	1.2
405.27820	2.3
406.23334	1.0
423.28732	4.1
441.29913	6.2
451.28799	1.2
469.29852	5.9
487.30765	9.0
505.31741	6.5
505.89542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81185	0.8
53.03937	1.6
55.01857	1.4
55.05506	9.0
55.58935	0.8
57.03401	0.9
57.07057	1.8
58.16671	0.9
65.03928	1.6
67.05161	1.2
67.05502	19.4
69.03434	5.0
69.07059	6.8
69.40659	8.5
71.04977	2.2
79.05485	8.1
81.03416	1.2
81.07047	16.4
83.01350	2.8
83.04961	3.7
83.08601	2.4
85.02893	2.7
85.06534	7.9
91.05461	8.5
93.07029	13.3
95.04961	5.9
95.08597	32.9
97.06539	2.6
97.10155	4.9
99.04462	1.3
99.08086	1.4
103.05434	1.5
105.07011	7.8
107.04932	1.6
107.08574	12.1
109.06525	4.6
109.10146	20.7
111.04414	6.3
111.08065	4.1
113.06001	3.5
113.09704	1.8
115.05471	1.3
117.07020	2.7
119.04913	1.4
119.08576	9.1
121.06498	5.7
121.10152	8.5
122.07281	1.0
123.04410	1.5
123.08060	11.7
123.11675	4.2
125.05941	1.4
125.09605	5.9
127.11085	1.0
128.06229	1.2
129.07008	2.0
129.09116	1.3
130.07747	1.1
131.04916	1.2
131.08562	7.2
133.10124	6.3
135.04358	1.3
135.08035	8.9
135.11664	3.3
137.02295	1.8
137.05969	9.2
137.09601	13.2
139.07515	3.4
139.11263	1.5
139.48352	0.9
141.09065	4.7
142.07755	1.2
143.08560	2.6
143.10687	1.5
145.06470	1.4
145.10085	5.5
147.04405	3.0
147.07991	1.8
147.11652	3.2
149.05956	1.4
149.09608	11.8
149.13271	2.7
151.03908	2.8
151.07538	30.4
151.11136	1.7
153.05440	1.4
153.09081	3.5
155.10667	1.2
157.08569	3.5
157.10109	2.9
159.08052	8.5
159.11661	3.9
161.05984	2.5
161.09589	3.4
161.13222	1.8
162.06705	4.9
163.07520	3.5
163.11185	5.3
165.09099	80.2
166.09456	1.3
167.05490	1.0
167.06958	1.1
167.10721	0.9
169.10057	1.0
171.08040	0.9
171.10240	1.1
171.11646	1.3
173.09590	4.0
173.13240	2.7
174.06752	1.1
175.07570	5.0
175.08846	1.0
175.11166	2.7
176.08359	5.1
177.09093	100.0
177.12459	2.4
178.09468	2.4
179.10686	2.9
181.08681	1.2
185.09619	3.5
187.07498	1.0
187.09657	3.5
187.11179	4.5
188.08299	3.9
189.09068	8.5
189.12773	1.9
190.09843	3.4
191.10657	43.0
195.10109	1.6
197.09677	1.1
199.11168	5.7
201.09149	5.1
201.10876	1.2
201.12804	1.5
201.16389	1.7
202.09799	1.1
203.06927	1.6
203.10654	19.9
203.14290	1.6
205.08659	1.4
205.12227	38.6
211.11252	1.9
213.12794	1.6
215.10666	3.0
217.12262	5.7
219.13791	1.0
221.11708	1.7
225.12704	1.3
229.12219	4.0
231.13832	3.4
243.02863	2.7
243.13774	3.0
245.11575	1.0
245.15408	1.9
253.15880	1.1
255.17299	1.1
257.15283	1.3
265.18130	1.3
269.15555	1.0
271.16812	4.3
273.18393	1.2
283.16702	1.0
285.18362	1.2
287.19968	1.5
289.21399	0.9
295.16910	1.4
297.11188	3.9
297.18457	3.6
299.19992	1.3
301.21481	1.2
307.26508	0.9
311.58444	0.9
315.19501	1.8
323.12695	3.9
324.05325	1.0
355.15231	2.4
357.48380	0.8
395.25766	1.3
405.27798	1.7
413.21960	1.7
423.28873	3.1
433.27069	1.8
441.30197	4.2
451.28421	4.0
469.29849	6.2
487.30856	6.5
505.31223	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	505.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61164	3.6
53.03935	6.8
54.24269	3.1
55.01857	6.4
55.05503	68.8
56.21685	2.8
57.03427	4.2
57.07068	7.8
67.05493	77.5
69.03405	7.8
69.07067	21.1
69.41063	26.2
70.75951	3.4
71.08613	4.1
77.11801	3.3
79.05479	66.9
81.03380	9.7
81.07045	75.6
81.63108	3.4
83.04959	7.4
83.08605	38.7
91.05449	37.1
93.07030	63.7
95.04933	10.1
95.08599	45.8
97.06533	5.3
97.10159	69.4
102.87898	3.0
105.07009	18.9
107.08579	47.2
109.10131	22.6
111.08027	4.6
117.07024	10.0
119.08576	16.3
121.10128	21.2
123.11752	4.9
125.09610	69.4
131.08549	14.3
133.10130	12.0
135.08032	6.6
135.11655	19.2
143.10574	4.2
145.10100	13.4
147.11659	11.3
149.13220	15.3
153.09125	5.3
159.11688	10.9
161.13251	6.3
173.13268	7.2
175.14841	3.6
185.13177	3.6
185.50591	3.5
187.14830	5.7
189.11195	63.8
227.12784	54.7
243.21152	5.3
245.13832	4.1
261.22055	29.7
317.24637	7.4
413.30496	3.6
431.32034	4.9
487.34006	6.7
505.34946	100.0
506.35611	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	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
53.58228	0.8
55.01860	1.9
55.05503	11.7
57.03420	1.8
57.07067	43.1
59.97676	0.8
64.50142	0.7
65.03920	1.6
65.28268	0.7
65.54391	0.9
67.05489	27.8
69.03429	1.9
69.07056	11.5
71.02312	2.1
71.04962	1.4
71.08619	27.8
74.53636	0.8
76.77922	0.7
79.05479	13.9
81.03404	100.0
81.06557	1.8
81.07040	31.0
83.04957	3.4
83.08607	31.5
85.06532	1.6
85.10167	17.8
85.10690	0.9
91.05463	20.0
93.07018	8.3
95.04955	25.6
95.08592	32.2
97.02870	1.8
97.06499	1.0
97.10158	8.8
99.08081	1.2
99.11716	1.4
103.05470	0.9
105.07008	14.1
107.04942	4.6
107.08595	2.8
109.06509	2.7
109.10130	15.0
111.04406	0.8
111.08062	9.4
111.11681	2.1
115.05421	1.0
117.06991	1.7
119.04919	1.0
119.08554	11.1
121.06492	2.1
121.10142	5.6
123.04400	1.8
123.08056	1.2
123.11697	6.1
125.13297	0.9
128.06197	1.4
129.06996	9.4
131.08545	8.2
133.06480	2.8
133.10080	4.0
135.11716	1.5
137.13214	4.2
139.14862	0.8
142.07780	2.8
145.10060	1.8
147.08034	2.4
147.11664	5.7
149.09612	5.3
157.10110	10.4
165.12709	1.5
175.11151	11.1
188.01450	0.8
193.12215	62.0
194.12619	1.7
213.12727	1.1
221.22658	1.3
231.13864	1.4
239.23616	11.5
249.14804	9.6
284.81781	0.9
367.80255	0.8
392.66199	0.8
505.38821	93.3
506.39127	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	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01855	1.6
55.05502	11.3
57.03430	1.4
57.07070	43.1
60.24498	0.8
65.03913	1.5
67.05498	28.6
69.03426	1.5
69.07056	13.3
69.28631	7.4
69.29041	1.7
70.07369	1.2
71.04987	2.6
71.08624	31.9
79.05486	13.3
81.03409	97.1
81.07048	33.8
82.03745	1.7
83.04964	2.8
83.08610	32.1
84.08983	1.2
85.06544	1.2
85.10178	16.8
90.69590	1.0
91.05469	19.3
91.06010	1.6
92.05781	1.1
93.07034	11.0
95.04955	25.7
95.08594	33.0
97.02889	3.6
97.06535	1.3
97.10172	7.8
98.21458	1.6
99.11749	2.2
105.07019	14.4
107.04942	7.1
107.08595	3.6
109.06509	3.0
109.10145	14.0
111.04431	1.5
111.08069	9.5
111.11697	1.1
115.05425	1.7
117.06992	1.7
119.04944	1.5
119.08567	11.4
121.06480	1.5
121.10120	6.4
123.08080	1.8
123.11696	7.0
129.06987	10.1
131.08557	9.7
133.06491	2.9
133.10115	3.8
137.09673	1.1
137.13243	2.1
142.07761	3.5
147.08037	3.3
147.11658	8.0
149.09627	5.6
151.14851	1.7
157.10107	9.7
165.12724	2.5
175.11133	8.9
175.12234	0.8
182.80830	0.9
193.12227	48.9
194.12581	1.2
221.22734	1.3
231.13777	1.2
239.23674	9.6
249.14839	7.0
273.73920	1.0
293.94049	0.9
308.35614	0.9
397.81967	0.9
406.08545	0.8
505.38834	100.0
506.39297	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	506.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84640	0.4
52.38544	0.4
53.05038	0.4
54.07072	0.4
57.03400	0.6
57.40018	0.5
61.02920	0.9
64.52264	0.5
65.03909	0.5
69.03410	1.6
71.53985	0.7
75.13461	0.4
81.03403	1.1
85.02897	9.4
91.05466	5.9
97.02884	3.3
99.04472	0.5
109.02866	0.7
119.04932	17.2
119.05762	1.0
123.04420	1.0
127.03902	1.9
140.29295	0.5
145.04944	3.8
147.04393	100.0
163.03906	1.0
163.05960	1.0
165.05460	49.0
166.05844	0.6
180.08669	1.6
189.08098	0.5
304.90500	0.6
309.09674	0.8
344.13242	0.7
403.28336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	14.3
57.03446	5.5
57.07071	19.5
59.04991	11.3
60.82286	4.1
62.03244	4.2
67.05489	24.5
69.03436	5.1
69.07048	12.2
70.37086	3.9
71.08609	12.2
74.23385	3.7
79.05473	15.6
81.03414	34.4
81.07047	43.2
82.03735	6.3
82.22128	3.9
83.04947	5.0
83.08611	16.1
85.10172	7.1
87.04445	5.0
88.87803	4.3
91.05452	14.4
93.07022	18.2
95.04944	11.9
95.08589	37.7
97.06535	4.5
97.10155	7.0
99.02630	4.5
105.07038	10.4
107.08574	14.0
109.06538	5.0
109.10120	16.6
115.07565	4.9
119.08563	5.8
121.10149	9.1
123.11670	11.9
125.09637	4.4
129.07016	6.6
131.08586	9.1
133.10130	5.9
135.07976	4.2
135.11725	7.3
137.05942	7.1
145.10136	7.9
147.11618	4.6
151.07518	23.5
157.10135	6.0
161.05966	4.1
161.09616	4.4
165.05406	5.9
165.09068	6.9
167.07002	100.0
175.07463	6.3
187.42230	3.8
189.09000	20.1
193.08620	11.4
193.12254	24.6
194.12476	10.6
203.10683	14.1
205.12328	4.5
207.10201	8.1
209.65926	4.2
214.24750	4.0
216.59560	4.4
229.48044	6.5
309.19699	4.6
336.44604	4.1
413.30292	9.9
425.30612	21.4
431.31281	12.3
443.31488	82.4
461.32657	40.9
506.39380	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2712
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05500	11.6
55.63779	2.4
57.03428	9.4
57.07065	3.4
65.03928	2.2
65.10490	2.3
67.05161	3.7
67.05500	45.0
69.07070	11.8
70.94087	2.7
70.94417	5.7
79.05494	25.4
81.07050	49.9
83.08630	3.2
91.05482	13.5
93.07043	29.7
95.04961	3.0
95.08601	33.9
97.10166	2.7
98.98457	61.9
105.07014	16.0
107.08578	17.9
109.06505	3.3
109.10138	19.5
116.99471	2.3
117.07039	3.2
119.08568	12.9
121.10125	11.1
123.11662	2.7
131.08566	9.9
135.11685	9.4
137.48053	2.6
145.10127	6.6
147.08040	3.6
147.11635	5.7
149.13228	4.8
155.01012	5.6
159.11688	5.1
161.13216	5.2
165.09068	3.4
169.10107	3.1
173.02090	11.9
173.13312	5.1
184.07309	4.4
187.14783	2.9
187.84546	2.6
207.38225	2.6
221.15417	8.5
229.14299	3.8
243.21085	5.5
247.16988	2.5
261.22159	7.3
317.24753	6.1
331.85748	2.7
335.25766	100.0
336.26181	4.3
390.09830	2.4
408.95657	2.4
489.36014	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05489	2.6
55.24313	0.5
56.01673	0.5
57.03426	1.0
67.05490	5.8
69.03419	1.9
69.07060	1.9
70.65640	1.1
70.66019	1.0
71.04964	0.9
79.05490	3.1
81.03416	0.8
81.07042	7.1
83.04962	2.2
83.08594	0.9
85.02876	1.7
85.06518	1.8
91.05493	2.9
91.05923	0.6
93.07025	3.8
95.04940	2.4
95.08595	8.5
97.02869	0.8
97.06526	1.3
97.10168	0.9
105.06991	2.7
107.04919	0.7
107.08589	3.3
109.02881	0.6
109.06525	1.0
109.10142	7.7
111.08035	0.9
111.11644	0.6
113.06014	1.6
113.09648	0.6
117.06939	1.2
119.08569	4.7
121.06432	1.3
121.10144	3.4
122.07255	2.1
123.08060	2.1
123.11665	3.5
123.73591	0.6
125.09609	1.5
129.07008	0.8
129.09081	0.7
130.77794	0.6
131.08508	0.8
133.10089	1.8
135.07983	1.3
135.11687	1.0
137.05978	4.7
137.09604	13.2
137.13206	0.7
139.03876	0.8
139.07516	1.1
141.09085	2.3
145.10066	1.6
147.11688	1.2
149.06006	0.9
149.09605	1.6
149.13255	0.9
151.03967	0.7
151.07518	2.7
151.11163	0.8
153.05444	1.2
155.36610	0.7
159.08044	1.0
159.11601	0.9
161.09604	0.7
163.07513	0.9
165.09094	100.0
166.09430	3.9
172.94746	0.8
175.11133	1.0
177.09074	1.6
187.09589	2.3
187.87108	0.6
189.09036	1.1
189.12645	0.9
191.10651	1.2
195.06551	1.0
203.10637	1.1
205.12230	1.8
223.09584	1.0
327.25290	1.3
337.23724	1.8
346.39590	0.7
365.13940	3.4
453.26663	0.7
471.27209	0.9
489.28439	2.3
501.24765	0.8
507.30228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01853	0.8
55.05506	2.4
57.03427	0.6
57.07049	0.8
62.04643	0.6
65.03929	0.6
66.39018	0.4
67.05499	6.5
69.03413	1.9
69.07063	3.8
71.04962	0.9
71.52903	0.7
79.05487	2.6
81.03373	0.7
81.07050	7.7
83.04951	1.4
83.08610	1.2
85.02878	1.1
85.06517	1.6
91.05483	3.8
93.07028	4.0
95.04945	1.9
95.08594	6.8
96.08949	0.5
97.02884	0.5
97.06508	0.7
97.10162	0.9
99.04462	1.2
101.05988	0.6
105.07020	2.9
107.04964	1.2
107.08571	3.5
109.02846	0.5
109.06496	1.7
109.10151	8.3
111.04416	0.9
111.08076	0.8
113.06021	0.8
113.09686	0.5
117.06989	0.8
119.04922	0.7
119.08553	6.5
121.06514	1.1
121.10123	2.4
122.07283	1.9
123.04414	0.9
123.08039	2.1
123.11700	2.7
125.05997	1.1
125.09627	1.8
129.06999	1.0
130.56711	0.5
131.08539	1.3
133.06441	0.5
133.10129	1.5
135.04419	0.7
135.08038	1.1
135.11673	1.6
137.05962	5.5
137.09601	12.9
137.13303	0.5
138.09929	0.8
139.03847	0.9
139.07512	0.9
139.11139	1.2
141.09084	2.1
145.10097	1.7
147.08072	0.7
147.11639	1.2
149.06020	0.9
149.09592	2.0
149.13176	1.2
151.03902	0.9
151.07518	4.1
151.11189	0.6
153.05470	1.7
157.08574	0.8
157.10089	0.6
159.11664	1.3
161.05984	2.4
161.09540	0.7
161.13263	0.6
163.03947	1.3
163.07533	0.9
163.11156	1.0
165.09099	100.0
166.09433	3.0
167.07066	1.1
175.07536	1.7
175.11151	0.6
175.38504	0.6
177.09099	1.2
177.12648	0.6
179.07056	0.5
181.04938	0.9
186.85687	0.5
187.07567	0.6
187.09631	1.0
189.09065	1.3
189.12694	0.8
193.08698	0.6
195.06494	2.0
199.07526	1.4
203.10654	1.5
205.08592	0.8
205.12286	1.2
219.10167	0.7
223.07626	0.6
223.09634	1.5
239.09218	0.6
263.06900	0.6
263.12790	0.8
291.23276	0.7
296.13974	0.5
301.14304	0.5
309.24503	0.5
328.37033	0.5
337.23703	1.8
427.28326	0.7
459.27679	0.6
471.27594	1.9
489.18915	0.9
489.27896	2.5
496.58069	0.5
507.21902	0.7
507.29803	4.5
508.21051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01855	5.1
55.05503	18.1
57.03416	5.0
57.07061	6.5
59.05000	3.1
61.02924	18.9
65.03918	3.6
67.05493	27.5
68.89159	1.8
69.03115	1.6
69.03431	14.9
69.07063	31.1
69.41066	3.0
69.41422	18.9
69.48324	2.1
70.06590	3.0
71.01332	1.9
71.04982	4.7
71.08611	2.7
72.08138	3.8
73.02895	8.8
73.39062	1.9
79.05476	24.0
81.03394	13.5
81.07051	75.4
83.04962	6.2
83.08610	13.5
84.04477	3.0
85.02890	23.9
85.06532	21.3
91.03935	8.9
91.05461	15.0
93.07033	35.1
94.04168	4.7
95.04978	11.3
95.08591	59.3
97.02867	14.6
97.06516	7.2
97.10139	8.7
99.04453	4.5
99.08078	12.1
103.05425	5.3
104.07799	1.9
105.07020	15.4
107.04954	7.4
107.08583	34.8
109.06490	9.5
109.10141	38.4
111.04430	7.2
111.08089	13.9
111.11719	9.9
113.06001	2.1
117.06979	4.8
119.04958	3.0
119.08553	13.8
120.08143	3.0
121.06467	9.7
121.10130	28.1
122.03613	7.5
122.07332	2.1
123.04379	6.4
123.08099	5.0
123.11705	28.6
125.05959	4.4
125.09613	6.6
125.13251	2.0
127.03899	5.8
127.11174	2.5
129.07002	3.0
130.04950	2.2
131.04890	7.7
131.08553	4.1
133.06476	2.7
133.10107	8.3
135.04399	4.8
135.08054	5.9
135.11659	14.5
137.05963	100.0
137.09573	9.7
137.13229	14.5
138.06268	5.1
139.03902	2.6
139.07500	3.6
139.11191	6.0
143.04974	2.9
145.02827	2.2
145.10117	4.9
147.04437	3.6
147.07971	2.8
147.11688	6.6
149.05984	3.3
149.09593	6.7
149.10709	27.6
149.13242	25.5
151.03874	6.9
151.07536	17.4
151.11189	3.6
151.14780	3.7
153.05466	8.9
153.09036	2.3
153.12715	5.5
157.06462	2.1
157.10103	3.5
159.07994	4.2
159.11716	5.2
161.05945	5.7
161.09593	5.1
161.13188	2.6
163.03914	31.9
163.07544	10.7
163.11151	3.2
163.14798	11.0
165.05499	2.2
165.09093	39.6
165.16344	2.2
166.09416	5.7
167.07034	5.2
167.14325	3.4
171.11641	2.9
173.09691	2.5
173.13231	3.9
175.07510	6.9
175.11186	6.0
177.09084	17.8
177.16351	6.2
179.10625	2.1
181.06488	2.7
184.07292	3.0
185.03687	3.1
189.09059	8.3
189.12733	2.7
189.16402	4.4
191.10678	12.7
191.17932	3.5
193.08583	3.6
193.12245	4.0
195.17299	3.6
199.07532	28.9
201.09085	2.9
203.10669	4.9
205.08566	3.4
205.12234	7.5
207.10110	3.2
211.07518	6.4
213.08984	2.2
213.18411	3.7
231.04337	7.8
232.90953	2.0
237.08986	2.7
250.06195	3.3
265.08545	16.4
266.08783	2.3
273.25742	2.3
277.08511	4.6
279.26825	4.7
283.09744	2.8
291.10162	3.3
291.26743	15.1
295.13184	2.5
297.11145	7.9
297.27762	3.9
303.10162	6.0
308.10349	2.2
309.11005	3.9
309.27893	20.9
311.12692	3.3
317.08066	2.1
320.10376	3.3
321.11230	3.8
323.12631	2.5
327.28867	4.2
333.11145	2.8
335.12851	16.3
336.13217	3.1
353.13855	4.7
361.16492	2.1
365.13989	5.6
459.17889	4.3
471.27527	2.7
477.18896	11.6
489.18832	2.9
489.28217	3.9
507.29865	2.6
508.20984	2.9
531.28961	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	507.3676
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03928	3.7
55.01863	2.6
55.05503	27.0
57.03420	8.3
57.07059	7.7
58.11417	1.6
59.04981	4.3
60.81893	1.5
62.01616	1.7
65.03915	3.4
67.05497	100.0
69.07053	18.5
71.04983	3.6
71.08624	4.6
71.53481	3.5
79.05054	2.9
79.05482	33.6
81.03395	6.5
81.06577	3.4
81.07046	66.0
83.04976	2.1
83.08611	17.5
84.08927	1.7
85.06512	3.6
91.05469	24.3
93.07030	38.0
95.04929	7.0
95.08598	41.8
97.06491	3.4
97.10145	17.0
99.08070	2.3
105.07008	13.8
107.08591	24.9
109.06520	1.7
109.10147	58.3
111.08088	3.2
117.07008	11.4
119.08568	17.6
121.10132	17.3
123.11677	8.9
124.05143	2.1
125.09608	12.1
129.06996	2.6
130.88770	1.8
131.08583	12.9
133.10103	14.5
135.11685	12.6
135.12566	1.8
137.09576	2.6
137.13269	2.8
139.11188	2.4
143.08607	2.4
145.10097	7.8
147.11665	12.0
149.13232	7.6
155.10670	4.4
157.10133	3.2
159.11723	8.4
161.13219	6.6
163.14769	2.7
169.10103	2.9
171.11659	3.7
173.11717	12.9
173.13258	9.4
175.14746	2.3
185.13271	3.7
187.14781	4.8
189.11183	8.9
193.12172	3.4
193.42230	2.0
195.00290	4.2
199.14709	2.2
201.16435	3.0
219.30388	2.1
227.12773	11.9
229.14319	31.4
242.17464	2.2
243.21085	6.1
259.20557	3.9
261.22153	23.6
285.22043	2.1
289.21600	2.1
318.10596	1.7
333.24234	2.7
335.25778	18.5
345.09531	2.9
379.29922	5.3
397.30627	8.6
415.32092	8.5
433.32980	5.9
471.34561	4.2
489.35699	41.7
507.28622	3.0
507.36328	28.4
508.37021	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	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01871	2.4
55.05504	26.8
57.03435	6.5
57.07071	29.8
65.03932	3.2
67.05502	100.0
69.07061	25.3
69.45950	16.3
71.04992	5.9
71.08629	18.3
76.10384	1.8
79.05487	37.1
81.03404	7.7
81.07051	86.1
81.99326	1.7
82.03726	2.2
83.04978	2.7
83.08611	24.2
83.63755	1.7
85.06536	3.0
85.10178	8.7
91.05464	27.9
93.07034	43.1
95.04965	6.6
95.08601	55.8
97.06519	5.1
97.10161	20.4
98.21267	6.2
105.07020	15.0
107.08585	29.9
109.10148	43.0
111.08073	4.5
117.07018	8.3
119.08565	14.7
121.10113	16.4
123.08072	2.1
123.11699	11.9
125.09650	10.5
129.06891	2.3
131.08575	10.2
133.10114	16.2
135.08014	2.4
135.11702	12.4
137.09550	2.3
137.13245	5.1
145.10118	7.5
147.11668	9.2
149.13249	16.4
155.10606	2.0
157.10089	2.7
159.11661	13.3
161.13277	4.6
163.14841	2.4
167.07072	3.8
173.11742	12.7
173.13324	5.9
175.14856	2.3
177.12744	3.4
187.14865	4.8
189.11191	8.3
194.12546	2.1
195.13774	6.8
215.17943	2.0
227.12711	10.3
229.14378	24.2
239.23701	5.9
243.21053	3.7
261.22144	17.0
277.41461	1.8
279.23044	2.3
317.24890	3.9
335.25772	18.0
345.09586	3.4
379.29544	2.9
397.30807	5.4
415.32010	5.5
433.33179	4.3
471.34781	4.1
489.35727	30.1
507.27249	12.8
507.41074	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01871	2.4
55.05504	26.8
57.03435	6.5
57.07071	29.8
65.03932	3.2
67.05502	100.0
69.07061	25.3
69.45950	16.3
71.04992	5.9
71.08629	18.3
76.10384	1.8
79.05487	37.1
81.03404	7.7
81.07051	86.1
81.99326	1.7
82.03726	2.2
83.04978	2.7
83.08611	24.2
83.63755	1.7
85.06536	3.0
85.10178	8.7
91.05464	27.9
93.07034	43.1
95.04965	6.6
95.08601	55.8
97.06519	5.1
97.10161	20.4
98.21267	6.2
105.07020	15.0
107.08585	29.9
109.10148	43.0
111.08073	4.5
117.07018	8.3
119.08565	14.7
121.10113	16.4
123.08072	2.1
123.11699	11.9
125.09650	10.5
129.06891	2.3
131.08575	10.2
133.10114	16.2
135.08014	2.4
135.11702	12.4
137.09550	2.3
137.13245	5.1
145.10118	7.5
147.11668	9.2
149.13249	16.4
155.10606	2.0
157.10089	2.7
159.11661	13.3
161.13277	4.6
163.14841	2.4
167.07072	3.8
173.11742	12.7
173.13324	5.9
175.14856	2.3
177.12744	3.4
187.14865	4.8
189.11191	8.3
194.12546	2.1
195.13774	6.8
215.17943	2.0
227.12711	10.3
229.14378	24.2
239.23701	5.9
243.21053	3.7
261.22144	17.0
277.41461	1.8
279.23044	2.3
317.24890	3.9
335.25772	18.0
345.09586	3.4
379.29544	2.9
397.30807	5.4
415.32010	5.5
433.33179	4.3
471.34781	4.1
489.35727	30.1
507.27249	12.8
507.41074	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.1
57.03415	2.8
57.07068	46.1
61.49638	2.3
65.03908	3.6
67.05498	57.8
69.07064	20.2
71.04981	2.5
71.08622	34.5
79.05475	31.7
81.07043	81.4
81.09637	3.6
83.04971	2.4
83.08606	26.8
85.06533	4.0
85.10171	19.0
90.84454	2.4
91.05460	25.1
93.07026	35.6
95.04965	5.2
95.08600	38.6
97.06522	7.8
97.10166	6.3
98.20741	4.4
105.07013	9.0
107.08593	22.2
109.10141	14.8
111.08080	2.8
111.11699	2.8
117.07033	7.8
119.08624	2.4
121.10134	8.9
123.11696	8.1
131.08578	5.7
133.10112	10.2
135.11700	8.6
137.13242	2.8
149.13248	22.8
159.11707	7.0
177.12779	5.4
195.13768	18.9
213.14897	2.9
239.23705	9.2
319.48145	2.7
507.40408	100.0
508.40189	3.8
520.38434	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	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54296	1.0
53.03928	2.4
55.01854	1.8
55.05506	16.7
57.03419	3.9
57.06782	2.5
57.07068	52.6
58.07394	1.3
65.03941	2.6
65.11155	1.0
67.05497	65.2
69.07062	26.3
70.73244	1.8
70.73601	2.6
71.04986	4.2
71.08624	38.8
79.05483	31.5
81.03424	2.1
81.07046	84.9
82.07359	1.0
83.04975	4.4
83.08611	28.6
85.06543	4.8
85.10174	20.5
91.05466	17.0
93.07033	45.3
94.43540	1.1
95.04970	4.2
95.08598	44.5
96.08913	1.4
97.06527	9.3
97.10157	8.6
99.08108	3.4
99.11761	1.4
105.07007	5.4
107.08583	26.5
109.06492	1.7
109.10144	18.7
111.08048	6.5
111.11722	2.5
113.13242	1.5
117.06989	6.4
119.08584	1.3
121.06485	1.4
121.10136	15.1
123.11706	6.2
124.18627	1.1
125.13285	1.4
131.08583	6.4
133.10088	6.3
135.07976	1.4
135.11705	6.3
137.13268	3.1
139.11227	1.8
147.11670	1.8
149.13246	33.8
151.14839	1.5
159.11691	13.8
167.14308	1.4
177.12709	7.1
195.13776	12.3
213.14894	2.7
239.23732	11.5
306.88303	1.3
309.30042	1.4
311.17664	1.1
358.58279	1.0
444.02347	1.1
473.76910	1.1
489.35431	1.2
507.40448	100.0
508.40829	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	507.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.32748	0.9
55.01855	1.7
55.05507	18.9
57.03434	2.5
57.07071	40.6
59.05016	1.3
65.03941	1.9
67.05500	59.3
69.07062	20.2
69.55038	3.1
69.55466	4.3
71.04999	2.5
71.08624	27.2
79.05488	24.4
81.03411	6.2
81.07050	74.9
82.07399	1.4
83.04989	2.2
83.08613	25.9
85.06548	3.6
85.10172	18.1
85.10641	1.8
91.05469	15.1
93.07037	32.3
93.07611	2.0
95.04963	5.2
95.08600	37.9
96.08939	1.2
97.06530	5.6
97.10172	8.9
99.08099	2.2
101.97561	0.9
105.04519	1.3
105.07013	6.4
107.08594	20.1
109.10141	14.8
111.08100	5.3
111.11761	1.8
113.09637	0.9
113.17590	1.0
117.07010	6.1
119.08575	2.4
121.10124	10.7
123.08068	1.0
123.11706	8.8
125.13226	1.3
131.08574	5.3
133.10114	8.8
135.11688	8.7
137.13258	4.2
139.07500	1.3
147.11664	1.5
149.12138	1.9
149.13258	24.5
151.11156	1.5
151.14859	1.4
159.11687	9.0
165.09085	0.9
165.16495	1.0
167.14388	1.8
170.62877	1.2
177.12810	5.5
195.13803	10.9
202.15947	1.1
213.14854	2.1
231.35124	1.0
239.23721	11.5
261.22180	0.9
268.46594	0.9
350.68405	1.1
489.35147	1.3
507.40451	100.0
508.40805	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.5
57.03424	3.1
57.07067	42.3
65.03914	1.9
67.05497	51.5
67.05859	2.7
69.07063	20.0
70.55311	1.3
71.02360	1.7
71.04964	2.8
71.08265	2.3
71.08623	30.3
79.05481	25.2
80.20206	1.7
81.03405	2.2
81.07044	64.3
83.04966	4.2
83.08604	20.2
84.16821	1.5
85.06544	2.6
85.10160	12.3
91.05470	16.4
93.07028	35.1
95.04954	4.5
95.08595	35.0
97.06512	5.6
97.10163	7.7
99.08064	3.2
105.04475	1.8
105.07027	5.7
107.08586	17.5
109.06516	1.7
109.10132	13.0
111.08060	3.2
111.11702	1.9
114.40070	1.3
117.07013	6.5
119.08607	1.4
121.10133	9.5
123.11684	6.2
131.08542	5.0
133.10136	6.0
135.11649	5.1
137.13237	4.0
137.55522	1.8
149.13234	19.8
159.11661	8.7
177.12738	5.8
195.13768	13.7
206.86087	1.4
221.15263	2.1
239.23695	11.2
246.49609	1.4
389.21613	1.4
465.10492	1.6
507.40399	100.0
508.40631	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	508.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81026	3.8
57.03423	3.5
61.02924	3.9
65.12197	3.1
67.05493	3.5
69.03426	7.0
70.90704	5.9
79.05497	5.2
81.03382	5.4
81.07049	9.5
85.02901	5.9
85.06525	5.1
88.96044	5.3
91.05492	6.2
93.07030	8.6
95.05057	3.2
95.08593	9.4
97.02831	3.7
105.07050	3.2
107.04929	8.0
107.08564	4.5
109.06495	3.1
109.10144	6.0
117.03362	4.8
119.08568	7.4
121.10134	5.0
123.08147	3.9
123.11716	3.7
128.33299	3.4
135.04382	11.8
137.05937	18.7
137.09608	3.9
137.11195	3.3
138.06320	5.9
145.02831	6.3
147.04385	5.0
149.10712	5.5
151.07518	6.7
153.29199	3.4
163.03888	100.0
165.09106	10.7
181.04948	4.3
191.10777	3.7
267.24417	4.0
325.09119	6.5
331.90787	3.3
490.29443	4.7
493.68695	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	508.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99014	2.9
55.05495	14.6
57.07065	9.2
67.05496	32.1
69.07066	18.5
71.08633	5.7
71.53635	5.1
71.54015	4.4
79.05477	9.2
81.07045	37.9
82.07364	6.6
83.08601	9.9
85.06508	8.3
90.18417	3.1
91.05453	7.7
93.07025	20.7
94.22617	3.4
95.08597	33.0
96.08897	4.2
97.10152	10.1
105.07005	5.4
107.08585	8.8
109.10139	28.2
110.10452	4.5
119.08623	5.4
121.10144	3.9
123.11681	11.7
131.08517	4.0
135.11653	4.8
137.06007	7.7
137.13205	8.4
145.10078	5.0
149.06003	5.1
149.13358	4.0
151.07555	21.8
161.05977	3.7
165.05470	8.6
165.09171	5.8
167.07022	100.0
168.36421	3.9
175.07460	4.7
189.09123	7.3
189.11241	4.0
203.10669	5.3
207.10126	7.0
221.11661	3.8
229.14317	4.1
309.43051	4.5
332.56876	3.5
336.25919	4.8
398.30841	4.9
427.32010	28.8
445.33044	71.0
490.35840	14.6
508.37222	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	508.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.6
57.07053	7.5
58.82483	4.0
64.09816	3.6
67.05222	3.1
67.05504	34.8
68.05806	4.6
69.07070	25.6
70.74552	4.0
70.74917	12.0
74.12189	3.8
79.05495	9.5
81.07045	70.1
83.08602	16.2
89.35223	3.8
91.05471	4.6
91.78732	4.3
93.07020	21.0
95.08597	40.7
97.10168	9.1
105.07047	8.6
107.08569	10.9
109.10121	32.8
119.08576	5.4
121.10115	7.2
123.11663	18.7
135.11646	5.9
137.05917	5.6
137.13197	14.7
141.05357	4.6
148.11981	3.9
149.13208	5.2
151.07477	11.7
151.14757	5.0
159.11638	6.1
161.09602	3.8
163.14749	4.0
165.05516	4.2
167.07004	100.0
193.01350	3.9
200.45647	5.5
205.08629	5.7
205.12129	5.3
207.10168	10.0
221.11775	5.7
227.35384	3.8
337.27063	12.6
371.25522	5.1
427.32068	36.8
445.33173	23.1
473.26846	3.8
490.36575	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.8
57.07073	25.7
58.07415	3.2
59.38121	2.5
67.05502	42.7
68.05834	7.8
69.07066	27.1
69.18706	36.8
71.04985	3.3
71.08620	7.2
74.15397	3.0
79.05496	18.5
81.07046	70.1
82.07362	11.5
83.04985	3.1
83.08616	15.3
85.06530	11.1
85.10180	6.5
86.09700	3.1
91.05458	10.3
92.05790	4.4
93.07023	23.6
94.07375	7.7
95.08591	46.4
96.08909	6.0
97.10155	11.1
97.58527	3.0
105.07000	9.3
107.08591	18.9
108.08927	4.9
109.06487	3.7
109.10132	31.2
110.10453	6.8
111.08056	4.2
115.38889	2.6
117.07009	3.4
119.08562	6.0
120.08883	3.3
121.10122	6.7
122.10526	3.1
123.08022	3.2
123.11709	13.5
124.11942	2.7
131.08571	5.6
133.10143	8.3
134.10382	2.8
135.08076	3.4
137.05951	7.0
137.13257	10.6
139.03831	2.9
139.07523	4.1
141.05481	4.3
143.08476	3.2
145.10066	4.3
149.05882	3.2
149.13268	8.8
150.13541	3.6
151.07515	18.3
159.11646	5.0
165.05420	6.6
165.09059	6.2
167.07025	100.0
167.08412	5.9
175.07513	6.8
177.09148	3.2
179.10628	5.2
181.08566	3.9
189.09070	11.0
191.10684	4.6
193.08600	4.3
203.10718	4.6
205.08751	4.1
207.10144	10.6
219.10144	3.3
229.14313	9.7
230.14697	5.2
261.22049	5.1
331.00937	3.2
336.26260	4.7
336.33417	2.9
350.05185	3.2
389.26764	6.1
403.70532	3.0
416.32224	3.4
427.32050	24.8
434.33411	3.6
442.41235	3.0
445.33099	51.4
463.33853	10.4
490.36197	13.9
508.27386	8.1
508.41275	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1286
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03924	0.5
54.26888	0.3
55.01866	0.3
57.03424	0.5
61.02923	6.6
67.05499	0.6
68.99783	0.5
69.03430	1.7
71.04965	0.4
71.55093	0.3
73.02914	1.7
79.05479	1.0
81.03400	0.7
81.07047	0.9
85.02407	0.5
85.02897	6.9
91.03953	3.6
91.05473	1.9
93.07047	0.4
95.04952	0.5
95.08610	0.5
97.02888	3.7
99.04442	0.4
103.05429	0.6
105.07007	1.0
107.04932	1.3
107.08556	0.7
109.02882	0.9
109.06483	0.4
111.00793	0.5
111.04429	1.0
115.05428	0.9
117.06987	0.5
119.04927	1.1
119.08566	0.4
121.02868	1.5
121.06501	0.8
121.10154	0.5
121.42308	0.3
122.03663	0.5
123.04449	0.4
123.08088	0.4
127.03896	1.1
129.06960	0.7
131.04939	0.8
131.08527	0.4
133.02821	0.5
133.06471	0.4
135.04408	0.4
135.08017	0.6
136.05173	0.4
137.02319	1.2
137.05966	10.8
137.09651	0.4
139.03888	3.9
143.04897	0.5
145.04991	0.8
145.06424	0.5
147.04382	0.8
147.08051	0.6
149.05966	0.8
149.09569	0.5
150.03069	0.8
151.03847	0.6
151.07526	5.1
153.01817	7.4
153.05452	5.5
154.06207	1.1
157.06477	1.0
161.05957	6.7
161.09572	1.5
163.03995	0.6
163.07510	0.9
165.01826	2.5
165.05534	0.3
165.09081	0.8
166.02589	0.3
167.07005	0.9
175.07526	2.0
177.08981	0.4
179.03362	0.4
181.04990	1.8
183.02834	0.8
185.05925	0.6
187.07523	0.3
189.09090	3.8
191.10654	0.4
195.10172	1.7
203.07117	0.3
207.06520	1.1
207.10100	3.1
213.05519	0.6
213.09036	0.4
216.04109	0.5
229.04921	1.4
230.05750	0.8
231.06531	0.8
233.04372	0.4
241.04953	0.6
243.02892	0.8
244.03578	1.5
245.04504	0.4
247.90440	0.3
253.08537	0.4
255.03084	0.8
257.04431	1.4
258.05212	5.9
259.05991	2.9
261.03839	0.8
265.08585	1.1
267.10004	0.3
269.04349	1.9
272.03036	0.6
273.03818	0.5
277.08698	1.1
279.10101	0.6
283.02472	0.7
283.09454	1.0
284.03235	0.4
285.03903	1.4
285.11221	0.8
286.04669	5.2
287.05457	9.3
288.05917	0.5
289.03375	0.9
291.08469	2.3
295.09940	0.5
297.11243	2.2
300.02625	0.6
301.03653	0.4
302.04422	0.4
303.04959	4.1
304.05377	0.5
309.11209	0.7
311.12851	1.8
312.05750	0.6
313.03433	1.0
314.04288	1.5
315.04959	3.5
316.05624	0.5
317.02695	0.8
318.07559	0.4
323.12949	0.5
327.12119	0.4
329.08557	0.4
331.04434	4.7
332.05240	4.0
337.14343	1.0
347.07571	100.0
348.07965	2.5
349.14551	0.7
355.15442	1.0
359.07443	0.5
367.15652	0.4
389.08588	1.1
413.08652	0.9
473.10074	0.4
479.20609	0.6
508.76447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05500	4.4
57.03437	1.9
61.02911	2.5
65.03925	1.1
67.05497	10.3
69.03416	5.3
69.07053	3.8
71.04961	2.4
71.54369	1.4
79.05470	11.4
81.03404	2.5
81.07043	17.3
83.04955	3.5
83.08604	2.3
85.02892	2.4
85.06537	2.9
91.03966	1.2
91.05465	16.0
93.07046	12.7
94.04184	3.8
95.04955	5.4
95.08599	10.9
97.02881	2.2
97.06499	1.3
99.04443	3.0
103.05466	3.6
105.07018	11.5
107.04948	7.1
107.08597	9.7
109.06490	5.1
109.10136	11.5
111.04420	2.3
111.08089	1.6
115.05444	4.3
117.07020	4.8
118.04137	1.4
119.04925	6.4
119.08594	7.3
121.06471	8.2
121.10101	8.5
122.03632	10.3
123.04444	2.3
123.08056	4.5
123.11686	3.8
124.79601	1.1
125.06014	2.5
125.09608	9.0
128.06200	3.2
129.07004	7.3
131.04892	6.5
131.08545	5.5
133.06454	4.1
133.10091	5.0
135.08041	4.2
135.11658	4.2
137.05954	100.0
137.09595	5.1
138.06261	1.6
139.03868	1.5
139.07504	2.2
139.11174	2.1
143.04898	2.9
145.06470	3.0
145.10086	4.6
146.03629	2.8
146.07271	1.6
147.04398	4.6
147.08014	1.2
147.11673	3.2
148.05145	1.8
149.05943	4.0
149.09583	3.0
149.10712	2.5
149.13252	2.1
151.03865	1.8
151.07526	35.5
151.11133	2.7
153.05440	4.4
155.08595	1.2
157.06488	5.3
157.10123	1.8
159.08037	2.9
159.11670	2.4
160.05194	1.8
161.04613	2.2
161.05954	40.4
161.09557	7.3
163.04007	1.5
163.07556	10.5
163.11066	1.6
165.06979	2.4
165.09100	16.5
167.06976	8.4
169.12187	3.2
173.13261	1.7
174.06764	5.0
175.07518	13.5
175.08842	2.0
175.11134	1.5
177.05492	2.1
177.09045	9.5
178.07701	1.4
179.07072	2.1
179.08528	2.2
179.10629	1.8
181.04955	4.7
181.06418	1.6
181.08653	1.9
183.06499	1.6
183.07953	1.6
185.09656	2.0
186.41333	1.3
187.07497	2.7
189.07329	2.0
189.09081	24.7
190.09535	1.4
191.06970	2.3
191.08598	1.7
191.10614	1.8
193.06567	1.8
193.08505	1.5
194.07222	3.2
195.06525	10.0
195.08209	2.0
195.10133	22.4
199.87988	1.1
201.09003	1.6
201.12775	1.4
203.10576	2.0
205.06560	2.8
205.08447	2.6
205.12199	2.0
206.07227	1.8
207.08131	2.1
207.10089	15.4
209.07895	1.5
209.09712	1.9
209.11588	2.5
210.06728	2.6
211.07535	2.8
218.07375	1.6
219.08066	3.5
219.10155	12.7
221.05992	2.3
221.09723	1.6
222.06702	2.3
223.07658	1.8
223.09662	5.2
225.09126	3.4
225.11140	1.2
227.07071	1.7
233.05942	1.8
234.06723	4.3
235.07513	4.1
235.56097	1.3
237.09045	4.5
237.11115	2.3
238.06262	1.5
239.10802	1.8
241.08658	1.5
247.07509	1.6
249.09059	6.9
249.11150	2.3
250.06175	2.7
251.06963	1.4
253.08498	6.1
254.09526	1.5
255.10033	1.5
262.06204	2.6
263.06967	1.3
263.12939	1.8
264.07706	2.1
265.08505	9.0
266.09283	1.6
267.10205	3.2
269.07907	2.8
270.08841	2.2
271.07147	1.7
277.08505	14.4
277.11386	1.8
278.09207	1.9
279.10077	3.1
281.08090	3.1
283.09650	5.4
285.11319	6.6
285.13861	1.3
289.14453	1.6
291.15887	2.0
295.09567	4.1
296.10443	2.3
297.11203	13.3
299.12845	3.0
301.10596	1.4
301.14301	1.5
305.11694	1.7
305.17349	2.0
309.11154	6.5
311.12839	11.7
323.12723	3.6
328.12732	1.4
329.17319	1.5
337.14398	5.8
343.15237	3.5
349.14490	2.6
355.15381	5.6
367.15286	4.5
455.27823	5.0
459.18082	1.3
473.28781	9.6
479.20529	5.2
491.20398	5.1
491.30099	16.4
509.21289	2.7
509.30762	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	509.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04718	1.3
70.93582	2.4
79.05474	4.4
81.07034	1.7
91.05480	17.5
93.07037	2.3
94.04172	4.5
95.04980	3.1
98.68018	1.2
103.05452	5.6
105.07005	4.4
107.04962	6.7
109.06489	2.7
115.05447	5.6
117.07010	2.9
118.04122	1.8
118.56293	1.4
119.04941	9.5
119.49487	1.5
121.06477	5.7
122.03632	8.7
123.08054	3.8
128.06236	2.4
129.07008	9.7
131.04912	6.9
131.08499	3.0
132.05714	1.6
133.06540	3.0
135.08055	3.1
136.05194	2.2
137.05962	100.0
143.04889	3.3
145.06441	4.5
146.03603	3.5
146.07271	2.6
147.04385	2.9
147.08031	3.5
148.05202	2.6
149.05972	5.0
151.03862	2.5
151.07530	43.1
157.06493	5.7
159.04474	1.3
159.08070	1.3
160.05247	1.8
161.05965	65.2
161.09584	11.9
162.06644	2.4
163.07552	9.1
165.09111	5.4
166.07764	2.0
167.07072	2.4
169.06451	1.8
173.06001	1.5
174.06790	3.8
175.07520	28.4
177.06978	1.9
177.09120	5.4
179.08586	2.7
181.06540	2.7
187.07486	4.1
189.07281	2.5
189.09084	32.5
193.06361	2.6
195.08250	2.9
195.10138	18.7
203.08560	1.6
205.06602	3.0
205.08580	1.7
207.08174	3.3
207.10126	32.6
207.12007	2.1
209.09657	2.5
210.06757	3.0
211.07553	2.8
218.07173	1.6
219.08046	3.6
221.05952	2.4
221.09492	2.5
222.06735	2.3
223.07617	2.3
225.09068	4.4
227.06770	1.7
231.07973	1.7
233.06116	1.8
234.06755	4.4
234.10597	1.4
235.07495	3.9
236.08315	3.6
237.09082	6.4
239.10657	2.6
241.08577	1.3
245.09526	1.9
247.07454	2.0
248.08336	1.6
249.09099	8.3
250.06126	2.0
251.06996	1.7
251.10728	4.4
253.08542	5.9
255.06459	2.6
262.06213	1.8
263.10776	1.6
264.07684	2.2
265.08585	10.2
266.09293	2.4
267.10205	3.4
268.07462	2.0
269.08020	3.2
270.08734	4.1
273.08994	2.2
275.10538	1.4
277.08597	7.9
277.11841	1.5
279.10132	5.2
280.10913	1.6
281.08038	4.5
283.09512	4.3
284.10794	1.6
285.11224	8.8
289.08643	1.4
291.10120	3.5
294.08929	1.9
295.09674	3.7
297.11243	18.2
299.12775	4.8
299.67773	1.4
305.11676	3.5
307.09579	1.5
308.10315	2.3
309.11401	6.5
311.12811	16.8
313.14279	1.8
317.13727	4.6
319.09604	1.5
323.12775	6.5
325.14334	1.8
337.14319	16.1
340.32663	1.4
341.14041	1.6
343.15237	1.8
349.14371	4.0
355.15390	14.7
367.15549	8.1
420.34039	1.4
433.16574	1.8
447.17868	1.6
479.20590	6.3
509.21173	6.8
511.08878	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	509.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01847	1.0
55.05490	3.4
55.22493	0.7
57.03426	0.8
57.93406	0.8
65.03925	1.3
67.05495	7.9
69.03424	1.4
69.07040	2.8
69.29115	4.7
69.29537	3.0
71.01344	0.7
71.04984	1.5
79.05486	8.9
81.03395	2.6
81.07054	9.4
83.04964	2.5
83.08620	2.7
85.02918	1.7
85.06516	1.2
88.02573	0.8
91.05471	11.8
93.07034	7.3
94.04173	4.2
95.04955	5.1
95.08598	5.7
97.06506	1.4
97.10136	1.0
98.07795	0.7
103.05461	1.7
105.07014	6.3
107.04945	5.1
107.08582	3.9
108.05734	0.8
109.06524	5.3
109.10155	3.2
111.04431	1.9
111.08086	1.2
115.05424	2.5
117.07037	3.8
118.04185	0.9
119.04934	3.8
119.08578	4.7
121.06486	5.5
121.10109	4.0
122.03627	6.9
123.08101	4.6
123.11681	2.1
125.06015	1.4
125.09585	1.2
128.06221	1.6
129.07014	4.7
131.04910	2.5
131.08569	2.8
133.06462	1.8
133.10115	3.3
135.04457	1.3
135.08015	3.2
135.11691	2.0
136.05127	2.0
137.05963	100.0
138.87241	0.8
139.11165	0.8
141.06978	0.9
143.04907	1.5
143.08453	0.9
145.06468	2.6
145.10121	1.5
146.03568	0.8
147.04369	1.6
147.08002	1.3
149.05977	2.5
149.09621	2.3
151.07527	34.5
153.05473	1.5
157.06491	2.6
157.10074	2.0
159.08040	1.4
160.05115	1.3
161.05980	15.0
161.09596	3.4
163.07541	3.4
163.11171	1.4
165.05467	1.4
165.06963	1.5
165.09128	2.6
167.06998	2.3
167.08446	1.1
174.06773	2.6
175.07481	5.5
176.08322	1.0
177.09122	6.5
178.07890	1.1
179.07042	1.4
179.08521	1.8
179.10719	1.1
181.06505	1.4
182.07301	1.1
187.07477	1.4
189.09103	10.3
191.10553	1.8
193.06503	1.1
193.12195	3.7
194.07271	1.5
195.08337	1.2
195.10141	22.2
195.11858	1.6
197.05937	0.9
203.10701	0.7
205.06506	2.7
205.08568	1.4
207.08176	1.7
207.10144	4.4
209.05946	0.9
209.09671	0.8
209.11612	0.9
210.06723	1.7
211.13275	3.0
219.08076	1.9
219.10162	4.8
219.13724	0.9
221.05971	1.9
222.06789	2.6
223.07571	1.4
224.08287	1.2
225.09047	2.5
225.11086	1.2
227.06982	1.4
227.12804	0.9
233.06004	1.4
234.06731	1.5
235.07484	2.2
236.08289	1.0
237.09155	5.4
239.06967	1.2
239.10669	2.0
249.09099	2.9
250.06114	1.0
251.06912	1.3
251.10835	1.3
253.08574	3.4
255.10100	0.8
262.06201	0.9
265.08591	10.7
266.09286	1.4
267.10117	3.5
269.07993	1.7
277.08533	5.1
279.06824	0.8
279.10159	2.2
283.09720	4.1
284.10309	1.4
285.11185	8.3
293.11652	1.2
295.09583	1.2
297.11200	16.6
299.12674	2.6
305.11667	1.4
309.11145	3.3
311.12744	9.7
317.13794	2.5
323.12811	2.7
337.14301	1.6
341.13596	1.3
342.25980	0.8
343.15497	4.6
355.15317	1.7
385.23563	0.8
447.18130	0.9
455.28043	0.9
461.19269	1.4
473.28836	1.6
479.20349	3.7
491.20447	2.2
491.30463	0.9
509.26712	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	509.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77258	1.3
61.02903	3.5
65.03937	2.0
67.05518	1.2
67.74413	1.3
69.03394	2.5
71.04999	1.3
71.18217	2.9
71.18561	1.4
79.05469	4.5
81.03381	1.4
81.07037	1.5
85.02870	3.4
89.03923	1.4
91.05466	21.3
93.07022	3.4
94.04185	3.6
95.04959	3.6
97.02898	1.4
103.05443	3.2
105.07017	6.9
107.04973	6.1
107.08562	2.7
108.05743	1.7
109.06532	2.3
115.05443	4.1
117.07014	3.5
119.04940	10.3
119.08540	1.6
120.56977	1.1
121.06490	7.1
122.03657	10.1
123.04431	2.2
123.08043	4.0
128.06232	3.0
129.07004	8.0
131.04927	4.7
131.08528	3.2
133.02794	2.4
133.06448	2.9
133.10130	2.1
135.04338	2.4
135.08029	4.7
137.05960	100.0
138.06343	1.5
139.03864	2.0
141.07018	1.3
143.04904	3.3
145.06497	3.3
146.07242	2.9
147.04395	2.8
147.07996	3.1
148.05159	3.3
149.05919	5.6
151.03925	4.0
151.07526	45.4
153.01811	3.4
153.05452	1.5
156.59908	1.3
157.06453	4.9
159.07999	2.5
160.05165	1.6
161.05965	69.8
161.09622	14.6
163.03874	2.6
163.07561	7.1
165.06923	2.6
165.09084	5.7
167.07025	3.5
173.08252	1.2
174.06741	4.6
175.07529	21.1
177.06929	1.7
177.09019	6.4
178.07745	2.2
179.08588	1.8
181.06445	2.1
187.07573	2.2
189.09090	39.4
191.06976	1.7
191.10655	2.1
193.06461	2.3
194.07201	3.1
195.08086	3.6
195.10114	19.1
202.07549	1.7
205.06512	3.1
205.08434	1.6
206.07202	1.8
207.08195	1.9
207.10127	36.7
211.07539	1.8
213.09102	3.4
218.07176	1.5
219.08028	2.6
219.09975	1.7
221.05960	3.7
221.09557	2.4
222.06624	2.6
223.07504	3.1
223.11037	1.6
224.08434	1.4
225.09099	3.1
234.06732	2.3
235.07460	4.0
237.09052	7.5
239.07112	1.5
239.10713	1.4
241.08582	2.0
247.07306	2.2
248.08463	1.9
249.09061	6.0
251.10712	2.3
252.07903	2.6
253.08669	6.1
255.06427	1.5
255.10060	1.7
258.05273	2.5
259.05984	2.1
262.06137	1.9
262.09937	2.1
263.07037	1.5
265.08536	12.9
265.11252	1.8
266.09213	2.2
267.10104	3.5
268.07288	1.3
269.11774	1.3
270.08954	1.8
277.08511	6.7
277.12161	2.0
278.09470	1.4
279.10114	4.2
281.08081	2.4
283.09549	6.7
285.11166	8.3
286.04654	2.4
287.05457	3.9
291.10324	1.5
293.11649	1.8
295.09702	3.5
296.10391	2.4
297.11215	15.6
299.12741	3.1
305.11603	3.6
309.11176	5.2
310.12106	1.6
311.12775	17.0
317.14102	2.3
323.12735	9.0
325.14520	2.0
327.12119	1.7
328.13004	3.6
329.13779	3.5
331.04547	3.1
337.14316	16.4
339.12088	1.5
341.13715	3.7
347.07565	52.8
348.07925	1.9
349.14307	4.0
353.13635	3.1
355.15335	11.1
367.15558	6.4
371.14597	1.8
435.18530	1.2
447.18204	2.2
461.19568	2.9
476.04623	1.4
479.20602	4.7
491.20609	2.7
509.21762	4.6
525.11609	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	509.2741
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.02385	1.8
52.61845	1.5
53.00298	5.1
53.03932	7.0
55.01868	9.6
55.05253	2.4
55.05506	36.6
57.03436	11.5
57.07069	2.4
59.04986	6.5
63.22218	1.8
65.03940	3.8
67.05495	50.1
69.03419	8.8
69.07066	11.1
71.01320	2.8
71.04988	8.0
79.05041	3.6
79.05485	44.9
81.03410	66.8
81.07050	60.4
81.07446	1.3
83.04978	20.6
83.08608	37.2
85.02901	28.2
85.06528	5.9
87.04446	1.7
87.31075	2.2
91.05475	63.3
93.07031	49.0
95.04330	2.6
95.04958	35.4
95.08601	23.8
97.02887	10.8
97.06520	10.7
97.10155	10.2
99.00809	21.7
103.05463	4.4
105.07019	53.3
107.04935	15.8
107.08582	27.2
109.02861	13.2
109.06523	12.3
109.10155	15.0
111.04427	7.6
111.08060	19.4
113.05992	4.2
115.03928	4.8
115.05472	2.4
117.06979	9.5
119.04942	2.4
119.08569	26.6
121.06503	11.6
121.10148	17.8
123.04420	4.4
123.08060	7.5
123.11682	9.2
125.02296	1.9
125.05987	2.2
125.09637	7.7
127.03883	5.1
128.06209	4.1
128.79912	1.9
129.06981	14.0
131.08556	20.2
133.06424	3.2
133.10117	57.4
135.04453	2.2
135.08044	4.8
135.11670	8.0
137.05974	6.5
137.09607	5.0
137.13226	1.9
139.07507	4.6
142.07770	3.4
143.08545	10.8
145.10130	7.2
146.83339	2.2
147.08040	4.9
147.11656	16.8
149.09650	9.0
151.07512	3.6
151.11180	15.0
153.05449	2.4
153.12723	3.5
157.10129	13.8
161.09592	25.4
163.11137	8.8
165.05431	2.7
165.09148	4.6
165.12761	2.8
167.07053	2.6
169.04901	2.4
169.12280	1.9
171.08063	4.8
175.11180	16.6
177.09117	2.2
179.10664	13.7
181.12102	2.2
189.09134	15.1
189.11078	3.7
191.10661	2.9
193.12224	68.4
197.11725	4.5
207.10130	5.3
209.11723	6.2
211.13280	75.7
212.13635	2.2
219.13885	3.1
225.11209	17.0
227.12747	13.2
243.12173	2.5
267.15927	6.0
281.13809	4.8
299.15100	2.2
385.23682	2.4
448.60367	2.0
459.27698	2.1
491.25711	2.1
509.27408	100.0
510.28012	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	509.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.0
57.03425	5.7
57.07060	4.7
57.48499	3.3
67.05496	39.6
69.07054	18.6
71.08637	3.7
71.53787	5.3
79.05487	11.1
81.07061	31.8
83.04970	3.4
83.08604	11.1
91.05470	8.7
93.07033	10.7
95.08588	25.4
97.10146	4.7
98.98454	44.9
105.07006	4.8
107.08615	6.7
109.10126	13.2
111.60167	4.0
119.08554	4.2
121.10136	7.3
123.11667	4.1
131.08565	4.1
133.10139	5.9
135.11693	4.8
149.13264	4.2
155.01022	8.6
169.10182	3.6
173.02107	8.3
220.85890	3.2
337.27316	100.0
338.27707	3.4
380.88354	3.6
389.21530	3.4
509.18304	14.5
509.36472	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	509.311
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03928	10.6
55.01858	10.1
55.05502	38.2
57.03427	10.8
57.07055	9.7
57.95149	4.4
59.04992	11.1
65.03942	6.9
67.05500	56.2
67.48618	4.0
69.03422	29.8
69.07053	35.4
71.04975	15.1
71.54674	4.1
79.05481	46.5
81.03409	29.9
81.07048	100.0
83.01346	5.4
83.04975	27.0
83.08597	19.7
85.02899	16.2
85.06525	13.0
91.05466	53.8
93.07030	64.9
95.04945	31.8
95.08591	73.8
97.02884	5.6
97.06525	15.5
97.10147	11.2
99.00804	17.9
99.04418	12.5
99.08078	6.3
100.11274	9.7
105.07016	45.5
107.04929	11.2
107.08571	45.3
109.06509	16.7
109.10136	53.1
111.04439	14.6
111.08037	9.7
113.05942	7.0
117.06982	7.1
119.04936	8.5
119.08573	37.8
121.06495	14.1
121.10119	30.8
123.04444	10.3
123.08038	17.1
123.11716	28.6
125.05988	11.0
125.09640	22.9
131.08566	22.1
133.06483	13.8
133.10124	34.0
135.08031	10.9
135.11679	19.1
137.05946	41.7
137.09605	17.7
139.03891	7.5
139.07504	14.6
139.11153	7.2
141.09035	5.0
142.07790	5.2
143.08522	7.4
145.10098	19.8
147.04405	13.6
147.08086	10.7
147.11673	19.0
149.02271	4.3
149.05945	15.4
149.09593	21.3
149.13274	9.7
151.07532	71.6
151.11183	17.5
153.05444	18.4
153.09044	4.8
157.10124	11.0
159.11678	16.8
161.05946	8.9
161.09561	14.6
161.13199	5.8
163.03867	6.9
163.07477	8.0
163.11201	12.9
165.05444	9.8
165.09097	75.2
166.06070	4.8
166.09352	21.3
167.07037	84.3
169.10011	6.1
171.08022	7.2
173.09596	9.2
173.13222	8.0
175.07498	8.1
175.11171	12.6
177.05431	12.0
177.09120	15.0
177.12776	6.2
179.07063	6.5
179.10661	12.9
181.04948	20.5
181.12184	5.8
183.06511	7.1
183.11552	4.5
188.62332	5.3
189.09103	28.9
191.10660	21.2
193.08585	9.4
193.12238	22.8
195.06522	42.5
203.10675	6.9
205.08450	7.1
205.12218	9.5
207.10149	12.2
209.08084	17.2
209.11662	10.9
211.13158	10.7
212.09833	4.9
213.08922	5.0
219.10071	6.9
219.13766	7.0
221.08041	5.6
223.09627	38.6
227.12778	7.8
233.11678	5.7
237.11180	30.1
249.11250	15.8
265.95190	5.3
267.15952	6.6
291.15622	6.0
305.17328	6.7
429.30322	7.5
441.24213	5.3
443.27997	14.2
455.27856	19.1
461.28793	10.8
473.28909	71.0
491.30014	98.0
509.27628	15.6
509.34564	8.3
509.40765	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	509.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.2
55.01857	12.8
55.05503	57.3
57.03416	16.7
58.47575	3.6
65.03918	3.8
67.05499	72.5
69.03421	9.7
69.07061	30.8
71.04995	28.1
73.02895	5.2
79.05485	100.0
81.03406	36.2
81.07045	84.1
83.04977	22.8
83.08602	30.2
85.02927	8.4
85.06520	8.7
91.05476	63.6
93.07033	82.8
95.04961	78.5
95.08595	38.9
97.02869	4.7
97.06503	19.9
97.10152	40.6
98.21486	7.5
99.95699	4.6
105.07012	42.3
107.04947	54.8
107.08575	60.7
109.06497	61.1
109.10144	24.3
111.04475	7.6
111.08064	9.6
115.05415	4.8
117.07001	25.4
119.08565	27.0
120.88947	3.8
121.06497	37.4
121.10132	48.6
123.08070	18.2
123.11687	13.0
125.05989	5.3
125.09611	35.2
129.06998	17.5
131.08566	41.8
133.06430	9.2
133.10115	14.3
135.08049	28.9
135.11707	12.8
137.05981	8.4
137.09573	5.2
139.11171	7.3
141.06992	6.8
143.08539	10.1
145.06461	20.7
145.10101	16.2
147.08026	9.8
147.11674	14.5
149.09576	19.8
153.05467	5.1
153.12778	4.4
155.08600	7.3
157.10123	14.4
159.08064	9.1
159.11674	8.3
161.09599	8.2
163.07407	5.1
163.11180	18.2
167.07039	6.5
167.10619	19.1
169.10173	7.5
171.07970	4.9
171.11713	5.4
173.09610	6.0
173.13231	9.8
175.11195	14.3
177.12785	5.6
183.11632	4.4
187.11127	4.6
187.14819	5.8
189.11182	23.9
189.12657	4.3
191.14275	5.5
193.12282	14.5
199.13301	28.0
201.12743	5.7
205.12199	7.1
209.09898	4.2
209.11775	10.2
211.13300	16.0
213.12756	5.2
215.14178	5.2
217.14317	5.1
219.13773	41.8
223.11255	4.4
223.13309	10.2
227.12622	24.0
233.15363	23.1
237.14848	12.9
255.13715	5.8
257.23071	4.5
259.12936	4.8
266.33426	3.8
267.15976	11.9
273.14450	8.3
273.17261	20.1
293.17383	28.5
321.22076	5.4
339.23193	8.3
349.21536	20.0
367.22665	43.8
385.23730	40.5
403.24719	14.8
417.26270	7.4
423.24911	4.2
441.26242	11.8
459.27371	49.3
477.28357	44.6
491.30048	35.7
505.71280	4.8
509.31680	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95582	6.4
55.05505	31.2
56.32531	6.1
59.04995	9.5
67.05500	55.9
67.28857	6.0
69.07057	30.8
69.40151	19.3
69.40571	40.4
79.05475	28.2
81.07040	62.3
83.04968	31.7
83.08615	18.8
84.57925	6.6
91.05473	24.8
93.07039	40.8
95.04991	8.5
95.08597	79.5
97.06541	9.3
97.10193	8.6
98.98465	29.0
105.07008	55.7
107.08576	42.3
109.06532	8.3
109.10118	22.1
111.04477	14.9
111.08069	8.6
117.07002	18.1
119.08584	43.6
121.06484	16.4
121.10110	32.1
123.00944	6.3
123.11709	9.8
128.06184	14.7
129.06996	16.7
131.08563	46.8
133.10112	53.2
135.08110	10.6
135.09111	7.4
135.11662	14.1
141.06935	11.3
143.08540	50.1
145.10118	54.9
147.11700	28.2
149.09586	9.7
149.13208	7.6
155.01009	11.2
155.08534	15.4
156.09331	9.9
157.10121	46.5
159.08057	22.4
159.11708	56.1
161.09627	29.3
161.13251	10.4
169.10097	33.0
171.08057	9.3
171.11687	52.5
172.08820	8.3
173.09639	9.7
173.13257	27.5
175.11189	14.0
175.14871	14.7
181.10133	10.2
183.11691	23.7
185.09604	7.9
185.13239	35.1
187.11168	16.0
187.14833	18.4
189.12744	13.7
189.16376	20.8
195.11647	20.9
197.13258	41.5
199.14827	38.4
201.12683	15.4
201.16356	9.8
201.65727	7.7
203.14255	11.6
209.13255	13.6
211.14877	14.3
213.12759	27.9
213.16322	7.7
215.14282	52.4
216.47783	7.3
217.15854	31.9
221.13301	9.4
227.14363	10.8
229.15892	19.1
231.13789	8.4
231.17427	12.0
233.15410	21.9
235.14905	12.6
245.15326	10.2
281.19199	7.8
281.22632	6.9
309.22147	21.7
337.27420	76.5
431.29282	43.5
449.30591	100.0
474.95187	7.6
509.36926	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	10.2
55.01868	6.8
55.05505	34.7
57.03437	9.5
57.07056	10.1
60.73221	4.2
60.91973	4.6
67.05498	77.9
69.03419	10.5
69.07063	42.3
69.50294	9.1
69.50701	36.9
71.04974	7.3
79.05476	48.2
81.03394	31.4
81.07043	100.0
83.04951	18.1
83.08617	32.3
85.02895	11.7
85.06512	13.1
91.05480	64.3
93.07036	69.4
95.04955	29.3
95.08592	75.7
97.02800	4.4
97.06506	9.5
97.10139	21.1
105.07014	46.2
107.04939	13.2
107.08569	50.5
109.02815	8.9
109.06499	16.4
109.10137	52.2
111.04417	18.6
111.08060	13.7
111.11711	6.3
113.05981	5.2
117.07001	9.5
119.08578	25.4
121.06477	13.8
121.10155	29.0
123.04437	8.8
123.08050	11.5
123.11671	23.5
125.09607	16.3
127.03925	5.4
129.06975	13.1
131.08557	21.2
133.10106	25.3
135.04449	6.5
135.08028	13.7
135.11693	21.9
137.05968	21.4
137.09612	7.9
137.13219	10.3
139.07516	5.1
139.11186	5.4
143.08607	6.6
145.10103	14.6
147.11670	12.9
149.09561	13.5
149.13272	8.7
151.07532	5.4
151.11133	8.0
151.14780	14.2
153.05403	8.0
157.10172	8.0
159.11642	8.7
161.09573	9.8
163.11148	17.4
165.09123	10.0
167.07039	6.1
171.11737	5.8
175.11154	13.2
179.06921	6.9
187.14935	5.3
189.09122	6.9
189.11128	5.3
191.10687	8.8
193.12254	17.0
205.12160	6.9
207.10103	5.4
207.11952	6.8
209.11630	28.1
211.13225	13.0
213.12460	5.8
227.12708	23.6
267.15897	7.0
275.27249	5.4
283.15387	8.9
293.28357	6.1
297.90845	5.5
309.21616	5.2
311.29370	7.1
395.37653	5.3
444.11108	5.4
459.27164	6.9
473.28836	8.2
477.28308	8.0
491.30029	11.0
509.26630	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	510.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27956	1.3
61.10760	1.3
69.03423	1.4
69.95786	1.3
70.57335	4.2
70.57690	1.9
82.71965	1.3
85.02896	2.3
86.09709	9.6
87.70608	1.6
93.03399	2.2
97.02898	1.4
107.04996	1.7
111.04425	1.5
115.05441	2.4
121.02845	6.9
141.06955	5.2
143.04851	1.8
152.04585	1.3
153.06985	3.4
157.06456	2.3
159.04405	2.8
163.03905	2.2
165.06961	2.9
167.08643	1.4
169.06465	5.2
181.06459	6.2
185.05994	6.5
187.03879	5.9
199.03888	100.0
200.04135	1.6
209.05928	3.9
213.05399	14.1
215.03358	13.8
227.07159	3.2
237.05472	3.9
237.09221	1.3
239.07062	1.7
239.74263	1.2
241.04965	7.0
255.06499	3.6
265.04855	2.8
283.06000	45.1
291.14392	2.0
301.07062	46.1
301.10519	2.3
301.53802	1.4
334.15195	2.4
379.17465	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	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
67.05502	2.3
69.03427	4.5
69.07080	1.7
71.04995	15.9
71.56320	1.9
71.56989	1.9
73.02905	4.1
79.05487	2.7
80.70825	1.6
81.07041	6.9
83.04956	2.9
85.02892	20.1
85.68319	2.1
87.98718	1.9
88.50581	2.2
91.05463	7.3
91.54018	2.0
93.06989	3.1
94.04148	2.4
95.04967	3.3
95.08605	4.1
97.02863	2.0
103.05464	5.8
105.07004	3.6
107.05014	2.4
109.06488	2.6
109.10098	3.3
117.07032	3.5
119.04942	3.0
121.06464	4.0
121.10142	2.6
122.03633	6.8
127.03886	1.9
129.05446	7.3
129.07082	1.9
131.04918	18.0
133.10059	2.3
137.05963	80.8
138.06271	15.1
141.50841	1.8
147.06541	2.9
149.05919	4.9
150.29205	1.9
151.07523	25.7
152.07887	4.6
157.06453	3.3
161.05931	4.0
163.03903	6.9
163.07513	44.0
164.04199	2.3
165.09131	4.2
166.88409	1.9
167.07053	2.3
175.07507	5.1
177.09085	100.0
189.09090	6.0
190.09427	2.2
191.06784	2.0
195.08034	3.7
195.10121	2.5
221.11711	16.9
223.07564	2.3
226.39778	1.9
227.10683	4.4
237.97894	1.9
253.08553	2.3
253.12099	2.9
255.10150	4.7
260.09976	3.5
285.11035	3.5
287.12732	5.9
313.14230	8.4
331.15430	22.7
343.15121	2.5
354.14291	2.0
356.15680	3.3
368.15625	4.1
396.61572	2.5
474.19873	3.3
492.21225	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	510.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39293	0.7
53.91615	0.6
55.05508	0.8
57.07059	2.9
58.06583	1.8
65.03925	3.0
65.69781	0.6
70.06583	15.4
71.08623	1.1
71.54401	1.0
72.08143	1.5
75.49851	0.6
81.07043	1.1
84.08145	1.5
86.09708	3.1
88.07633	3.1
91.05491	0.7
95.08532	0.8
102.09181	1.4
102.72487	0.6
110.48914	0.7
111.81126	0.7
119.08631	0.7
121.02791	1.2
132.10188	5.9
133.45912	0.7
139.03882	1.4
146.11765	7.7
147.62379	0.7
149.02325	56.2
149.03293	2.5
150.02625	0.8
159.66333	0.6
193.04941	57.5
194.05261	0.7
212.23805	1.5
237.07545	70.3
238.07945	0.9
238.25192	0.9
256.26309	4.0
281.10114	2.4
300.28952	30.5
448.30579	4.1
510.34201	100.0
511.34583	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	511.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	2.7
56.96558	50.8
69.03422	2.3
70.36915	1.6
71.53192	2.0
71.53614	2.2
78.36413	1.9
79.05475	3.1
79.80113	1.9
83.04975	4.3
84.96027	1.8
85.02890	3.5
89.03905	11.6
93.97263	1.7
95.04939	5.6
97.02846	3.6
98.96998	1.7
98.97565	8.1
99.08078	4.0
103.05431	2.5
107.04936	3.8
110.97546	4.6
111.04424	4.0
113.00863	2.0
116.98599	6.0
117.03371	9.5
119.01897	2.5
121.02858	4.8
123.04401	2.0
124.99078	4.9
127.03859	2.9
128.98579	7.2
131.00145	2.5
131.01888	2.1
131.04912	4.4
134.99654	2.0
135.04381	26.3
139.03894	5.8
141.02258	3.6
143.00131	18.9
143.04845	1.8
145.02763	16.2
146.03214	1.8
146.99625	9.0
147.04379	2.6
149.01161	3.0
149.05966	3.7
153.07014	3.2
155.01952	2.5
156.98059	3.2
158.99611	2.4
159.03241	7.0
161.01222	29.5
161.05971	2.8
163.03885	100.0
164.04192	6.9
165.00638	4.1
165.06960	2.4
167.00168	2.4
169.01704	6.5
169.03395	2.3
171.05052	1.9
173.02876	2.9
174.99130	28.1
175.00606	2.2
175.03886	11.0
177.00705	2.7
177.05518	4.3
179.02234	5.4
181.06461	4.3
185.01183	18.1
186.99092	3.4
187.02713	12.3
189.00671	5.8
189.05611	3.1
193.00180	59.4
193.01694	4.7
197.05942	3.0
199.08049	7.5
200.98549	2.5
203.02206	20.7
203.03920	2.1
205.00156	2.6
205.05093	2.6
207.01660	1.9
209.01196	4.2
209.05936	3.7
211.01038	4.1
211.02780	9.1
211.07761	3.0
213.00668	9.3
213.05579	2.6
217.09117	3.4
218.99640	5.4
219.01640	2.1
221.03036	11.3
221.05151	5.3
227.02295	2.3
227.07024	4.9
228.01610	2.0
229.03726	4.1
231.01735	12.6
237.00655	32.8
237.02809	5.0
237.05476	4.3
239.04118	3.0
239.06961	3.6
241.04926	2.4
243.01639	3.8
249.02773	12.9
255.01733	53.2
255.06226	8.9
257.07983	1.9
263.99756	1.8
265.04919	8.9
267.03857	4.0
273.02768	60.0
273.07523	4.5
274.03119	2.1
277.07108	2.9
278.03320	2.7
283.06049	13.1
296.04285	2.1
301.07068	5.9
301.11136	2.0
305.03308	2.2
313.02249	4.0
315.90808	2.3
319.08026	6.9
319.12299	16.1
323.04364	3.9
331.03384	11.1
337.02396	1.9
337.09027	4.2
347.04373	3.1
349.04413	8.0
349.08148	2.9
355.03284	5.0
365.05319	3.7
367.03314	2.8
375.03647	3.3
377.07016	7.0
383.06149	2.7
393.04672	14.3
393.12280	4.4
395.08246	3.3
411.05893	42.1
429.06979	44.8
434.07507	5.7
452.08456	2.5
467.10229	2.8
493.06409	4.1
511.07547	37.2
511.14160	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	511.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
63.02395	0.5
65.03947	0.8
67.05492	1.0
70.01818	2.4
79.05501	1.1
81.96941	0.5
83.04958	2.6
85.02830	0.6
89.03899	4.6
93.03361	0.8
95.04931	0.6
98.21445	0.7
106.60199	0.5
107.04939	2.2
111.04433	2.4
117.03353	6.8
121.02831	1.3
123.04398	0.9
127.03912	0.5
129.05428	0.9
130.92903	0.5
135.04399	14.7
139.03879	3.9
144.08043	2.1
145.02826	11.9
145.03975	0.6
147.04362	1.5
157.04929	2.5
161.10736	0.6
163.03882	100.0
164.04219	0.8
185.05896	1.0
197.05925	0.5
213.05397	1.7
217.07129	1.0
231.06412	0.6
232.01225	0.6
234.99001	0.6
241.04828	0.8
255.06276	0.8
259.05923	1.6
277.07010	1.9
283.05927	1.3
301.07031	1.0
319.08023	8.1
488.05655	0.5
511.14697	0.6
520.78485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20940	1.1
55.01863	1.2
60.60350	0.9
69.03446	1.1
69.40592	10.6
74.40744	0.9
77.44055	1.0
83.04952	2.1
89.03911	1.1
100.57037	1.1
105.10622	1.0
117.03339	1.1
118.73704	1.0
125.02316	3.0
128.06183	1.4
135.04413	1.9
139.03900	1.3
141.07011	1.2
145.02835	1.3
152.06213	4.1
153.06990	13.4
157.06451	1.1
163.03903	19.1
165.06979	3.9
167.04936	1.4
169.06393	1.4
170.51332	1.1
171.08025	2.6
181.06461	29.1
185.05957	12.0
191.04938	1.5
193.06451	2.4
197.05891	1.6
199.07535	7.2
209.05952	20.8
211.07553	2.7
213.05467	14.3
219.04497	1.9
221.06033	1.4
225.05496	2.0
227.06985	16.2
237.05415	35.0
239.07069	4.2
241.04834	7.7
255.06503	51.5
265.04913	14.3
283.05981	100.0
284.06403	1.2
301.07034	5.3
319.08087	4.6
523.99164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69947	2.1
65.03927	4.7
67.05485	8.2
71.53583	2.6
71.53897	2.8
78.15768	2.3
83.04970	11.0
84.88820	2.4
89.03881	5.3
93.03404	7.5
95.04938	2.7
97.02914	3.1
111.04433	12.4
115.05412	4.6
117.03384	3.2
125.02320	6.4
129.05496	3.0
135.04398	15.5
139.03917	17.5
141.06975	13.2
145.02876	6.7
152.06178	5.4
153.06944	14.9
157.04979	4.0
157.06314	2.8
159.04431	3.5
163.02513	4.7
163.03886	100.0
165.05656	4.9
165.06940	22.3
169.06474	10.8
173.05928	2.7
181.06468	30.3
185.05974	12.6
187.03857	6.3
193.06508	9.7
197.05974	22.7
199.03781	2.8
199.07567	8.5
201.05304	2.7
203.06824	3.0
209.05981	19.2
210.32942	2.4
211.07538	10.5
213.05475	21.9
215.07053	2.7
217.04944	4.8
221.05992	7.4
225.05487	4.4
227.07043	20.2
237.05402	20.7
239.07043	11.4
241.04930	30.3
245.08110	3.9
255.06497	25.6
257.07953	3.1
259.05988	8.7
265.04926	9.3
273.07544	7.2
283.05981	68.0
283.09012	4.5
291.08548	6.4
301.07047	23.9
311.32437	2.4
319.08063	8.6
341.76657	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	511.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.2
55.05504	5.4
56.96558	26.0
57.03431	7.0
61.02914	4.0
62.88604	2.9
65.03928	4.3
67.05457	4.7
69.03423	19.0
70.76949	8.1
73.02905	7.6
81.03432	7.6
82.28156	3.4
83.04971	20.9
84.96045	5.6
85.02898	25.6
86.09705	4.0
89.03877	3.9
91.05479	6.4
93.03379	8.0
95.01335	5.1
95.04948	13.6
96.35911	3.3
97.02883	29.2
98.97572	38.3
100.52766	3.2
103.05483	16.1
104.67570	3.0
105.07087	3.8
109.02879	6.6
110.07169	3.8
110.97551	10.1
111.04394	19.3
112.99120	17.9
113.00851	3.8
115.05467	7.5
116.98615	20.3
117.03385	7.3
119.01903	11.8
121.02861	24.1
123.04415	7.7
127.03884	10.7
128.98590	15.7
129.05478	4.4
129.06963	4.2
131.00180	37.4
131.01889	11.2
131.04858	28.0
134.99615	8.2
135.04431	17.4
136.06201	7.8
137.02267	6.1
139.03877	13.8
141.06914	4.6
143.00090	6.4
143.01895	8.3
143.04903	7.2
145.01733	7.7
145.02702	6.7
145.03659	4.8
146.99625	9.4
147.04327	16.4
147.06448	4.9
149.01224	23.9
149.05875	38.6
153.06982	28.4
155.01877	11.6
157.01694	5.4
157.03473	7.7
157.04915	6.7
157.06380	3.8
158.99632	9.9
159.04312	16.2
161.01195	8.9
161.02998	12.5
161.04752	3.8
161.06020	12.5
163.02647	5.0
163.03897	90.3
164.04298	3.6
165.01842	25.4
165.07008	19.2
169.06497	7.0
170.99619	4.8
171.04729	4.0
173.01227	11.3
173.02936	18.6
173.06453	10.7
174.03081	4.1
175.02551	8.5
175.03906	100.0
177.00708	11.9
177.04187	4.5
177.05507	26.7
178.04916	6.5
181.04901	9.9
181.06459	57.6
185.01120	5.0
185.02957	5.3
185.06360	6.2
187.02591	5.4
187.04312	11.2
189.00722	5.4
189.05411	29.8
191.02217	10.1
191.04930	4.6
193.03824	10.2
193.06570	9.5
195.04401	3.9
197.06023	7.1
199.07498	22.4
200.04674	6.0
201.00749	5.5
203.02190	7.5
203.03929	8.6
203.07541	14.0
205.05127	28.1
209.05913	39.0
211.04825	5.9
211.07550	15.5
213.05463	26.0
215.03583	7.2
215.07477	18.6
217.05049	27.3
219.01729	19.9
219.06941	3.8
221.03052	5.7
221.04890	24.5
227.07002	42.8
231.06609	6.9
233.03323	4.6
235.05937	5.4
237.02809	37.8
237.05472	42.9
239.07117	30.7
241.05157	5.7
245.05046	19.4
245.08273	6.2
255.03989	6.5
255.06500	64.0
256.07004	3.9
257.08163	5.2
259.06540	6.3
263.06085	4.7
265.04935	71.7
265.07761	5.1
272.06430	3.5
273.07660	21.4
275.06244	7.8
275.09470	6.6
283.02878	5.7
283.06027	95.5
291.08795	21.8
293.05386	6.8
301.07126	69.4
305.05283	10.3
305.07516	3.3
305.10687	57.2
319.08255	86.7
319.12146	6.3
321.10358	9.3
323.06512	9.6
337.08109	50.2
355.09149	32.6
378.10297	4.4
475.12198	6.7
490.68536	3.1
493.13690	30.2
511.14114	44.0
512.16217	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	511.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86139	0.6
53.03930	1.5
55.01856	1.5
55.05498	3.3
57.03429	1.7
57.07079	0.9
61.02897	1.0
61.36798	0.7
62.58952	0.6
65.03908	0.9
67.05221	0.7
67.05506	6.7
69.03407	2.3
69.07064	3.8
71.04984	1.1
79.05477	7.1
79.07030	0.6
81.03411	4.4
81.07045	14.1
83.04967	2.0
83.08606	1.9
84.04486	0.6
85.02898	2.5
85.06529	1.3
91.05479	10.8
93.07039	8.0
94.04179	4.3
95.04959	5.1
95.08596	6.6
97.02878	1.0
97.06513	2.4
97.10117	1.1
99.08091	1.0
103.05453	3.5
103.52947	0.6
105.07023	5.8
107.04946	3.0
107.08585	6.1
109.02853	0.6
109.06525	2.6
109.10152	3.8
111.04418	3.0
111.08072	1.5
115.05472	1.2
117.07009	2.0
119.04944	3.6
119.08566	4.6
121.06491	2.5
121.10135	4.8
122.03628	9.6
123.04376	0.8
123.08080	1.5
123.11701	2.9
125.05981	1.1
125.09620	1.7
127.03918	1.0
128.06184	1.5
129.06995	3.0
131.04904	5.7
131.08571	3.2
133.06462	1.6
133.10118	2.1
135.04440	0.6
135.08015	2.2
135.11688	2.4
136.05165	0.9
137.05965	100.0
138.06279	1.6
139.03882	1.2
139.07539	0.9
139.11165	0.8
140.57587	0.6
141.06943	0.8
143.08539	2.5
145.06491	1.9
145.10139	2.0
147.04434	0.8
147.07944	0.7
147.11676	3.2
149.05969	3.8
149.09596	1.3
149.13275	1.2
150.21371	0.7
151.07527	23.1
151.11151	0.6
152.06155	0.8
153.05470	2.4
157.06496	1.1
157.10104	1.5
159.07971	1.2
159.11671	1.8
160.05193	0.9
161.05986	2.6
161.09593	1.1
162.06775	0.8
163.07523	11.1
163.11131	1.7
163.77843	0.7
165.05554	1.5
165.06981	4.5
165.09096	3.3
166.07730	1.2
167.07042	3.1
167.08556	3.3
169.06618	0.8
171.08034	1.9
171.11659	0.8
174.06802	2.0
175.07559	3.9
175.11172	1.7
177.06909	0.6
177.09113	2.7
180.40189	0.6
181.06514	1.5
182.07195	2.1
187.07541	1.7
188.08443	0.8
189.09088	4.5
191.08626	0.8
191.10680	1.9
193.06471	3.2
193.12268	3.0
195.08028	4.7
195.09734	0.7
199.05919	0.8
201.09149	1.3
203.10623	4.9
205.12270	1.0
207.08194	0.9
207.10143	1.4
209.05887	1.0
209.11710	2.5
210.06662	3.2
211.07558	1.2
211.13229	3.1
213.09172	1.2
221.05937	4.8
222.06749	0.8
223.07579	1.8
224.08240	2.6
225.09174	3.5
227.10747	5.0
227.12723	1.3
235.07509	0.9
238.06133	1.9
239.10574	0.8
251.10602	0.9
252.07863	0.9
253.08578	3.8
255.06483	0.9
255.10185	4.8
267.10178	4.3
285.11179	9.4
287.09976	1.0
287.12820	10.0
305.11728	0.9
313.14377	2.3
319.13135	1.1
345.05945	1.0
351.16122	4.2
369.16791	0.8
403.24777	2.0
415.18823	1.7
419.23920	0.7
439.28497	1.1
443.18417	2.0
457.29276	2.9
475.21176	1.1
475.30099	2.3
493.31366	1.3
511.28821	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	511.2687
Annotation	Kadlongilactone D
Peak:m/z	Relative Intensity
53.03938	12.7
55.01865	12.0
55.05505	31.4
57.03431	10.7
65.03939	10.0
65.86275	4.3
67.01855	4.8
67.05497	81.9
69.03428	12.4
69.07070	21.2
71.04985	20.0
71.54001	5.5
79.05484	53.3
81.03400	27.8
81.07044	80.9
83.04971	43.0
83.08607	13.9
85.02890	7.5
85.06525	5.2
87.13985	3.9
91.05472	57.3
92.13230	4.2
93.07029	73.0
95.04962	33.9
95.08588	100.0
95.79648	4.3
97.02872	8.9
97.06519	18.4
97.10168	9.2
99.04464	4.4
99.15958	4.0
99.29131	5.6
103.05461	5.8
104.08781	4.8
105.07018	68.8
107.04923	6.9
107.08570	47.4
109.02860	10.6
109.06493	17.2
109.10133	27.8
111.04411	20.3
111.08076	21.7
115.05418	10.2
117.07007	17.3
119.04887	6.3
119.08571	47.1
121.06493	30.9
121.10123	40.9
122.04212	4.3
123.08029	20.5
123.11728	9.8
125.05991	7.6
125.09666	4.6
128.06183	10.9
129.07001	22.8
131.08585	28.8
133.06509	13.8
133.10118	31.7
134.96179	4.4
135.08047	9.3
135.11688	15.2
137.02357	6.1
137.05966	10.3
137.09628	5.2
139.07555	8.4
141.06981	6.3
142.07791	14.5
143.08546	16.0
145.06477	14.8
145.10098	45.8
147.04330	4.5
147.07983	10.0
147.11642	16.9
149.06009	5.9
149.09605	8.5
149.13272	8.3
151.07477	7.2
153.05577	5.1
153.06949	5.0
155.03363	12.1
155.08537	8.9
157.10104	28.6
157.22348	4.6
159.08061	14.2
159.11691	28.9
161.05980	6.7
161.09613	24.2
161.13237	5.6
163.07518	10.0
163.11145	10.7
165.05478	7.7
165.09122	7.1
167.07021	25.0
167.08406	7.9
169.10120	11.2
170.07281	5.2
171.08081	10.4
171.11665	11.3
172.08766	8.6
173.05962	7.7
173.09637	23.6
173.13258	19.8
175.07568	11.3
175.11205	15.1
177.12770	5.2
183.07970	7.0
183.11661	7.0
183.13776	4.9
185.09546	27.2
186.10403	6.5
187.07541	12.3
187.11073	20.9
187.14871	6.2
189.05414	8.1
189.09116	8.8
191.10611	10.3
193.10362	4.6
193.12154	22.2
195.08084	12.5
195.11687	10.7
197.09590	15.9
197.13293	6.8
199.07584	17.0
199.11201	5.9
201.09068	4.4
201.12747	29.2
203.03365	5.3
203.10710	9.0
205.10265	5.0
205.12167	7.3
207.11777	5.7
209.09673	8.0
209.11639	4.8
211.11285	10.0
211.13284	25.8
213.09050	24.5
213.12639	11.3
215.10658	32.2
215.14287	13.2
217.12088	4.9
219.13861	10.0
221.09601	4.5
223.07626	7.4
223.11136	9.3
225.09106	9.2
225.12769	10.6
227.07021	6.4
227.10667	7.8
229.12126	9.6
231.10179	17.6
233.11623	8.0
233.15288	14.6
235.14841	4.7
237.09157	6.8
239.10637	10.8
241.08575	33.4
241.12201	6.0
243.10242	5.7
249.12714	5.4
251.10657	8.9
257.11737	5.4
259.09515	25.0
263.14163	6.2
265.12244	15.7
265.16177	5.0
275.20132	6.3
279.10031	4.8
279.13739	4.9
281.15549	5.2
291.17517	5.9
293.11636	16.3
293.14963	5.4
307.16907	9.2
309.14755	4.7
311.12808	7.1
317.15356	4.7
319.16666	5.9
329.17642	5.7
335.16519	13.4
353.17416	13.0
355.19159	12.5
371.18488	36.2
391.18912	4.9
395.25797	7.0
399.80429	5.1
409.19766	5.3
429.24435	7.0
431.25931	10.0
433.23581	8.6
444.44287	5.1
447.25226	14.2
457.23645	18.2
465.26364	6.6
467.30032	5.0
475.24725	47.3
493.25769	86.0
511.27081	20.1
511.33124	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
55.01875	10.0
55.05505	39.9
57.03423	14.5
57.07058	7.1
61.41268	4.2
67.05498	81.7
69.03422	16.8
69.07066	34.2
70.56761	9.8
70.57134	7.5
71.04970	10.6
79.05486	52.5
81.03413	39.5
81.07049	100.0
83.04959	31.9
83.08609	26.0
85.02903	15.8
85.06545	11.8
91.05466	56.1
93.07029	62.6
95.04972	34.3
95.08595	53.9
97.02898	12.6
97.06524	15.9
97.10170	13.8
99.04460	6.8
99.08151	5.5
101.06040	6.4
105.07022	45.0
107.04950	14.0
107.08597	47.7
109.06516	15.9
109.10137	40.2
111.04444	20.0
111.08069	13.0
115.05434	5.1
117.07023	15.0
119.08564	36.5
121.06505	15.2
121.10127	47.9
123.04432	7.4
123.08059	15.8
123.11713	23.5
125.05987	7.5
125.09621	14.8
127.03859	5.6
129.06995	17.5
131.08571	29.0
133.06511	5.1
133.10059	25.0
135.04396	4.7
135.08029	12.0
135.11688	16.6
137.05989	18.9
137.09622	5.5
139.11168	11.7
143.08511	7.8
145.06456	6.1
145.10161	19.7
147.08049	6.5
147.11661	28.2
149.05952	11.8
149.09627	15.7
151.07518	13.6
153.05493	12.1
153.12793	5.5
155.08492	4.8
157.10139	15.9
159.11655	10.8
161.09598	8.1
161.13171	5.5
163.03857	5.0
163.11192	15.4
165.05492	4.9
165.09062	8.2
165.12727	12.6
167.07060	23.0
167.10678	5.9
173.09576	7.5
175.11186	18.9
177.09076	6.3
181.10100	5.4
181.12186	10.0
183.06534	5.7
183.11610	3.8
185.13199	3.9
189.11162	7.1
189.12766	5.4
191.10654	18.0
193.12221	36.3
209.08134	4.3
209.11719	49.5
211.13246	38.3
223.09569	4.5
223.13455	4.9
227.12781	15.4
229.14230	5.0
235.13239	5.8
241.10689	5.4
265.14423	12.1
267.15884	16.2
283.15421	22.5
285.17218	4.8
369.23917	4.4
383.22198	8.6
401.23212	9.8
413.30405	6.4
419.24142	8.2
439.28265	8.6
457.29517	14.1
475.26492	12.0
493.27426	22.5
511.28888	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	511.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54301	2.8
53.03945	5.5
55.01865	6.8
55.05506	23.2
57.03421	13.4
57.13002	2.8
59.05004	5.8
65.03945	3.7
67.05499	76.2
69.03411	8.4
69.07050	12.6
71.04992	67.5
71.08652	2.5
71.53150	5.4
78.52397	2.9
79.05057	4.1
79.05486	48.4
81.03411	57.6
81.07050	100.0
82.07402	4.4
83.04968	18.7
83.08612	32.9
85.02901	32.1
85.06538	10.0
90.45161	3.3
91.05469	75.8
91.06005	5.3
93.07027	40.6
95.04956	31.8
95.08589	22.4
97.02866	3.2
97.06512	17.1
97.10176	4.4
105.07026	46.7
107.04951	6.7
107.08590	27.7
109.06512	9.3
109.10145	12.5
111.04446	3.6
111.08070	13.1
113.05941	3.7
115.05373	2.9
117.07039	10.1
119.08564	23.5
121.06488	3.2
121.10121	15.6
123.07999	4.9
123.11696	21.5
125.09693	3.5
129.06992	11.0
131.08568	18.4
133.10126	34.1
135.08073	4.0
135.11684	6.9
137.09668	3.5
145.10158	4.0
147.08064	5.5
147.11684	15.2
149.09650	7.1
149.13248	11.8
151.11179	14.4
157.10098	11.9
159.11726	9.2
165.12761	7.0
175.11154	18.1
177.12685	4.1
183.13828	21.6
193.12236	54.5
195.13834	7.2
211.13280	69.4
235.73312	3.1
267.15881	4.4
279.11108	3.0
283.15723	3.3
285.17032	3.6
368.87860	3.6
374.45490	3.1
422.96875	2.9
435.27411	5.7
467.30060	38.6
479.29977	6.9
511.32822	65.4
512.32892	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	24.4
56.42104	9.3
56.81789	10.2
58.94704	9.2
62.36426	10.0
62.45827	9.9
67.05487	39.2
69.07053	21.1
69.40073	100.0
79.05487	32.8
81.03416	12.2
81.07042	60.5
83.08575	12.9
91.05459	24.6
93.07033	35.9
95.04935	10.6
95.08580	86.3
97.06499	12.8
105.06999	40.6
107.08568	50.3
109.10117	62.3
111.08059	15.4
117.07015	16.6
119.08570	49.7
121.10107	55.0
123.08083	28.2
123.11705	18.2
131.08559	42.9
133.10101	47.4
135.08026	51.6
135.11676	22.1
137.09578	22.0
145.10077	37.0
147.11674	28.3
149.09573	29.9
157.10136	46.6
159.11679	42.0
161.09647	19.2
161.13249	22.0
171.11720	28.5
173.13297	22.3
175.11194	16.8
175.14822	24.9
185.13206	27.0
187.14874	17.5
197.13277	19.9
205.16022	12.1
213.16240	12.3
243.17487	17.5
311.23541	17.4
379.04965	11.5
433.30774	42.2
451.32065	47.3
511.37772	37.9
513.49768	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	512.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99850	2.0
61.02902	3.0
64.77005	1.5
67.50833	1.5
72.50674	1.6
73.02889	2.4
77.00887	6.9
85.02889	5.5
95.01956	1.7
97.02906	3.5
98.20773	4.3
99.25505	1.7
109.35168	1.5
110.64255	1.6
112.89681	1.7
118.03554	1.8
119.01913	8.9
127.03848	2.2
131.01924	2.6
136.04501	2.0
139.02409	3.2
142.03491	6.2
143.01881	4.1
145.03464	8.6
155.01907	5.9
157.03444	17.1
160.04575	6.9
160.06226	1.8
161.02921	10.0
166.03429	4.2
169.01884	3.2
169.03433	2.1
173.02986	6.1
175.04549	3.8
184.04530	15.8
185.02988	8.8
187.05704	4.7
188.04070	3.4
188.05789	4.3
196.04517	5.4
197.02922	2.4
202.05566	4.6
202.99142	1.6
203.03979	13.2
204.04248	2.2
205.06808	2.9
206.05081	3.8
206.06856	4.0
208.04587	3.5
210.06094	3.4
211.99710	2.0
212.04199	2.4
220.03380	2.4
221.05048	27.6
222.05203	4.8
226.05582	6.5
229.04010	2.4
229.06769	4.7
230.00778	5.0
230.05084	15.7
230.06995	4.7
233.05122	2.8
236.00859	2.0
236.94157	3.2
239.06081	35.3
240.06270	3.4
242.00696	3.1
242.05061	5.5
242.07178	3.5
245.05095	10.3
248.00844	3.5
248.06151	5.3
253.06502	1.8
263.06100	43.3
264.06326	5.0
272.06186	2.4
275.06085	100.0
276.06250	12.9
277.07721	2.7
278.07144	4.5
278.95291	2.0
279.07410	3.7
281.02386	4.7
281.52481	4.0
284.06403	2.8
286.07779	9.3
287.06079	2.5
290.07172	2.9
293.02484	6.5
304.08661	9.4
305.07086	20.9
305.57272	2.4
306.07245	2.1
314.07080	4.1
322.09781	2.9
331.09836	3.2
332.07938	42.1
333.08594	3.8
335.03452	3.7
335.08145	2.2
344.03827	8.9
344.53955	3.6
345.03717	2.3
349.11002	5.3
350.09753	22.2
351.10184	2.0
365.09378	8.0
366.09143	2.6
366.59406	3.5
373.07990	3.1
380.05286	2.4
383.10229	5.2
392.11404	3.0
425.06503	12.3
425.56662	8.4
452.90771	3.3
470.92050	7.8
471.07901	3.0
489.09506	3.1
494.13605	46.2
495.13306	4.4
512.15100	85.9
513.11993	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	513.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03918	0.8
55.01856	1.1
55.05495	2.0
57.07053	0.6
63.02369	1.0
65.03948	0.6
67.05495	3.1
69.03407	0.9
69.07052	2.4
70.06551	0.6
70.78184	1.6
71.04971	2.0
74.54037	0.6
79.05475	3.4
81.07047	5.1
83.04971	2.8
83.08598	1.1
85.02875	1.0
85.06521	1.8
89.03904	17.2
91.05486	3.0
93.07045	5.0
95.04961	6.0
95.08601	4.3
97.06501	0.9
105.07012	3.2
106.04193	0.6
107.04929	3.8
107.08588	4.0
109.06492	0.9
109.10145	3.2
111.04418	1.6
111.08048	0.8
117.03363	31.1
119.04905	0.7
119.08572	2.1
121.06507	2.2
121.10133	3.4
123.04385	0.8
123.08025	1.5
123.11683	2.2
125.05965	0.8
125.09605	1.6
127.03893	0.7
130.21890	0.7
131.08571	0.9
133.10068	1.7
134.03592	1.3
135.04404	23.3
135.08009	1.2
135.11690	1.3
137.05928	1.9
137.09596	0.9
139.07516	1.0
143.10704	0.5
145.02824	66.4
145.10085	1.7
147.11671	1.3
149.05959	9.4
149.09583	1.4
151.07538	3.9
151.11118	0.6
153.05373	0.8
159.07979	0.7
159.11670	1.2
161.09572	1.3
161.13341	0.7
163.03883	100.0
163.11160	1.8
164.04178	1.0
167.06975	2.4
169.12195	1.4
173.09650	0.7
173.13211	0.6
175.11119	2.7
175.14810	0.9
177.05449	99.3
178.05881	1.4
179.10631	0.7
186.05489	1.7
189.09064	1.0
191.10617	2.1
193.12271	1.2
203.10573	0.9
205.12071	0.8
209.11803	0.8
223.13261	1.5
229.15974	0.7
237.18477	2.0
253.86938	0.8
319.04532	1.3
319.08078	15.0
333.09601	12.5
391.24344	0.8
423.28683	0.8
441.29996	1.7
459.31326	3.4
477.32056	1.0
513.13867	5.9
513.26495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2844
Annotation	Elegain
Peak:m/z	Relative Intensity
55.01863	4.5
55.05494	14.8
60.72900	4.4
65.03939	4.1
67.05496	33.2
69.03419	5.8
69.07059	8.2
69.41542	12.4
69.41965	19.8
79.05470	19.2
81.07052	27.9
83.04961	14.5
91.05467	25.2
93.07030	42.4
95.04934	21.2
95.08598	100.0
97.06500	8.6
98.21494	6.7
103.47655	3.6
105.07026	45.6
107.04945	4.6
107.08564	30.0
109.06514	19.0
109.10168	23.1
111.04420	11.6
111.08047	11.3
117.07002	13.5
119.04907	3.6
119.08568	39.1
121.06470	11.5
121.10123	26.2
123.08032	20.9
123.11684	8.4
125.06004	4.1
128.06175	8.4
129.06979	9.2
131.08540	24.7
133.06473	8.2
133.10132	29.3
135.08043	14.6
135.11642	12.3
137.05896	6.0
141.06960	5.0
142.07747	15.6
143.08543	28.7
145.06447	8.2
145.10132	42.0
147.08022	11.5
147.11691	9.6
149.09598	4.9
149.13148	4.1
153.06882	4.7
154.07735	8.5
155.08525	20.6
156.09346	7.5
157.06482	4.2
157.10103	35.5
158.10849	6.2
159.08034	8.4
159.11656	38.9
161.09581	11.9
161.13226	8.9
163.11195	6.4
165.07019	8.1
167.08476	4.4
168.09273	4.8
169.10118	30.3
171.08075	9.6
171.11671	15.6
172.08740	5.5
173.09579	20.1
173.13222	8.9
175.11140	9.3
180.09239	4.4
181.10101	10.6
182.10869	4.8
182.29106	3.7
183.08069	13.2
183.10248	4.1
183.11671	19.1
185.09596	18.1
185.13226	12.6
186.10426	5.9
187.11150	21.4
187.14763	5.4
189.12692	4.3
190.06929	4.2
191.10704	4.3
193.10150	8.3
195.11713	15.8
197.09700	19.1
197.13228	6.9
199.07384	5.4
199.11169	19.4
201.09087	9.0
201.12750	16.8
203.10619	13.6
207.11653	9.2
208.12447	4.4
209.09521	6.2
209.13264	7.9
211.11150	11.0
211.14702	5.7
213.12784	10.4
215.08798	4.3
215.10600	23.5
215.14261	10.7
217.12387	7.5
219.13753	9.1
220.01743	3.8
221.13243	5.9
223.11064	4.8
223.14754	5.1
225.09167	7.7
225.12616	5.4
227.10663	12.6
227.14294	7.2
233.11684	11.2
233.15358	11.6
239.10704	6.1
243.10156	8.4
247.14886	10.3
249.16429	5.3
257.15390	6.9
261.11206	17.0
273.16269	8.6
278.55173	4.0
293.13849	16.5
297.18314	3.9
309.18594	5.1
319.16986	6.4
327.19742	5.8
337.17935	7.3
385.24799	3.9
403.26144	7.4
413.24625	10.4
415.22574	5.5
421.27643	5.2
431.25723	13.9
435.24603	4.4
441.24200	18.1
449.26907	20.2
459.25269	46.6
467.27902	7.1
477.26340	69.4
495.27554	29.6
513.28339	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25983	5.9
55.05490	18.2
57.03420	13.6
61.02917	19.2
62.25314	5.3
64.36863	5.8
67.05494	60.1
69.03397	7.3
69.07059	12.7
70.03188	29.2
73.02925	6.6
79.05483	46.2
81.03410	11.4
81.06607	7.6
81.07047	47.7
83.04982	6.1
83.08572	13.9
85.02901	14.1
91.03928	12.7
91.05478	43.6
93.07037	68.2
95.04947	14.2
95.08606	52.5
97.02886	14.8
105.07031	33.4
107.08565	36.6
109.10160	19.7
112.68309	5.9
117.07032	18.4
119.08585	42.6
119.17810	6.5
121.06493	8.8
121.10124	33.4
123.08050	6.5
129.06989	8.6
131.08542	21.3
133.10165	32.8
135.11656	20.8
143.08525	13.2
145.06509	7.5
145.10135	25.9
147.11664	26.4
149.13268	19.1
155.08569	6.1
157.10104	12.0
159.08040	7.8
159.11650	25.3
161.13234	23.1
163.14786	7.1
165.23245	6.2
171.11696	18.1
173.13223	10.7
175.14857	12.8
180.40353	5.7
183.11763	8.2
185.13313	15.7
197.13196	6.3
199.14879	8.0
241.19463	21.6
259.20502	47.4
265.70486	5.8
273.37442	5.6
277.21533	11.7
292.76215	6.1
333.24246	10.3
351.25293	100.0
398.73563	6.7
427.17972	6.2
444.30246	6.1
453.26215	12.4
495.27536	14.2
513.28241	14.5
513.35504	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.6
55.05508	28.4
57.03433	24.2
57.07056	2.0
59.04987	3.2
65.03943	2.6
67.05499	100.0
69.03433	5.1
69.07060	13.1
69.21249	23.4
71.04986	5.7
73.02914	8.1
75.34146	1.9
79.05482	24.0
80.73905	2.0
81.03416	7.7
81.07052	46.3
83.04967	8.2
83.08618	14.6
85.02891	4.5
85.06541	3.8
87.04457	3.4
91.05470	16.6
93.07034	32.0
95.04964	8.2
95.08596	16.6
97.06530	5.6
97.10161	14.9
99.08131	3.0
105.07026	8.4
107.04997	1.9
107.08598	17.0
109.10146	62.2
111.08070	4.3
115.07541	2.2
116.04690	6.2
117.07002	4.9
119.07859	2.2
119.08557	10.6
121.06548	2.4
121.10156	6.8
123.08112	2.7
123.11747	3.1
125.09617	15.1
129.05484	29.8
129.06976	2.9
131.08562	6.2
131.79759	2.0
133.10184	7.9
135.11691	5.2
137.09581	2.6
143.07034	9.2
145.10141	5.8
147.11688	4.4
149.13240	8.5
153.90443	2.3
155.10683	3.8
157.08614	4.4
157.10121	5.5
159.11713	6.1
163.11195	2.9
171.10100	2.7
172.95248	2.2
173.11749	22.1
175.11177	2.4
185.11737	7.8
193.12286	3.2
195.11844	1.9
195.13797	7.2
197.11569	2.1
199.13390	2.5
223.83202	2.2
229.14346	39.4
237.02536	2.2
256.26291	2.4
257.17551	2.8
269.17401	8.6
335.31693	2.1
423.27417	25.2
471.18369	2.6
512.50262	2.8
513.29779	13.6
513.50623	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.6
55.05508	28.4
57.03433	24.2
57.07056	2.0
59.04987	3.2
65.03943	2.6
67.05499	100.0
69.03433	5.1
69.07060	13.1
69.21249	23.4
71.04986	5.7
73.02914	8.1
75.34146	1.9
79.05482	24.0
80.73905	2.0
81.03416	7.7
81.07052	46.3
83.04967	8.2
83.08618	14.6
85.02891	4.5
85.06541	3.8
87.04457	3.4
91.05470	16.6
93.07034	32.0
95.04964	8.2
95.08596	16.6
97.06530	5.6
97.10161	14.9
99.08131	3.0
105.07026	8.4
107.04997	1.9
107.08598	17.0
109.10146	62.2
111.08070	4.3
115.07541	2.2
116.04690	6.2
117.07002	4.9
119.07859	2.2
119.08557	10.6
121.06548	2.4
121.10156	6.8
123.08112	2.7
123.11747	3.1
125.09617	15.1
129.05484	29.8
129.06976	2.9
131.08562	6.2
131.79759	2.0
133.10184	7.9
135.11691	5.2
137.09581	2.6
143.07034	9.2
145.10141	5.8
147.11688	4.4
149.13240	8.5
153.90443	2.3
155.10683	3.8
157.08614	4.4
157.10121	5.5
159.11713	6.1
163.11195	2.9
171.10100	2.7
172.95248	2.2
173.11749	22.1
175.11177	2.4
185.11737	7.8
193.12286	3.2
195.11844	1.9
195.13797	7.2
197.11569	2.1
199.13390	2.5
223.83202	2.2
229.14346	39.4
237.02536	2.2
256.26291	2.4
257.17551	2.8
269.17401	8.6
335.31693	2.1
423.27417	25.2
471.18369	2.6
512.50262	2.8
513.29779	13.6
513.50623	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	513.3572
Annotation	CHEBI:69628
Peak:m/z	Relative Intensity
53.95193	5.7
55.05494	6.6
57.07068	10.5
61.88534	7.5
67.05499	19.6
69.07060	11.9
69.78151	32.5
70.06587	12.8
71.08620	9.5
73.22079	6.4
74.52000	7.1
77.48928	6.5
79.05484	16.0
81.07061	23.3
88.07626	18.0
91.05476	24.5
93.07035	37.5
95.08584	34.8
97.10140	6.4
102.09166	12.4
105.07036	41.5
107.08588	30.0
108.34904	6.4
109.10140	8.2
117.07036	12.7
119.08568	46.4
121.10125	36.1
131.08551	19.7
131.11980	6.3
133.10118	65.4
135.11684	13.4
143.08511	8.5
145.10115	36.7
147.11688	26.3
157.10098	19.1
159.11690	23.2
161.13258	14.4
169.10173	6.5
171.11694	13.5
173.13264	16.8
175.14839	18.4
185.13272	7.0
187.14868	12.4
193.15868	8.9
199.14763	14.8
201.16290	11.9
230.33884	6.6
256.26385	20.8
257.26755	22.8
283.26273	22.7
284.26678	13.9
284.61008	7.8
313.25195	21.9
407.33188	9.3
435.32565	27.3
436.86105	7.4
453.33792	12.6
453.39825	8.1
460.89536	7.0
513.50732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.6
57.07065	18.6
67.05492	38.0
68.57802	8.9
69.07059	16.0
69.26972	22.0
69.27375	88.4
69.74863	10.3
71.04996	13.0
72.75511	9.5
73.56207	9.5
79.05476	28.1
81.07042	43.8
88.05546	13.5
88.07604	13.1
91.05460	26.0
93.07021	44.9
95.08589	57.1
105.07035	73.0
107.08585	40.7
109.10136	40.9
109.25919	10.2
117.07003	19.0
119.08572	70.7
121.10128	35.7
129.07002	17.3
131.08577	33.8
133.10115	100.0
135.11632	17.1
143.08566	25.8
145.10130	56.8
147.11661	29.9
157.10121	22.3
159.11723	42.4
161.13278	19.1
173.13272	22.1
185.13263	17.0
187.14735	15.7
193.15952	10.1
197.13264	14.8
199.14839	19.3
201.16409	13.4
203.18024	13.3
213.12698	11.6
213.16397	11.4
215.14279	20.6
227.17960	26.6
257.26706	24.4
283.26288	25.2
284.26648	17.4
313.25323	33.8
343.30667	11.9
435.32248	39.3
436.25397	10.2
513.50677	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95301	6.5
55.05502	15.8
55.26382	7.0
59.70416	7.5
67.05483	30.9
67.15635	6.7
69.07051	15.6
70.97220	14.6
70.97587	15.6
75.67041	6.9
79.05481	16.2
81.07059	46.0
83.04975	11.5
91.05456	21.7
93.07041	39.9
95.08598	90.6
105.07019	27.4
107.08561	28.0
108.47742	7.1
109.06535	34.9
109.10128	25.5
111.08053	7.2
119.08537	18.9
121.10164	18.8
123.08066	14.9
123.11656	8.2
129.07047	11.2
131.08551	19.7
133.10098	31.0
135.08086	7.5
135.11713	12.4
137.37410	6.6
139.07503	8.2
143.08519	26.9
145.10153	35.2
147.08000	7.8
147.11607	7.2
149.09570	9.9
155.07011	18.2
155.08464	15.0
156.09323	10.9
157.10085	39.8
159.08026	10.6
159.11668	29.7
161.09639	11.7
165.06964	8.0
167.08534	8.7
169.10098	17.5
170.10849	7.0
171.11671	28.2
173.13251	20.5
175.11201	12.4
181.10176	7.6
183.11665	24.0
185.09572	11.3
185.13286	10.4
187.11128	10.5
187.14775	8.2
189.12756	7.0
191.10564	9.8
195.11632	11.8
197.13156	22.5
199.11110	20.7
199.14711	9.6
201.12686	13.8
209.13237	19.1
211.14825	10.0
213.12746	22.0
215.14253	9.6
223.14748	10.7
225.16267	9.4
235.14833	20.0
245.11795	12.2
249.16331	15.3
251.17944	9.2
263.69202	7.1
265.19269	9.6
285.18271	10.9
293.18961	10.1
322.69437	7.4
339.19562	16.4
343.22684	13.4
356.56036	7.8
389.24594	8.9
407.25473	12.0
415.26071	8.3
417.28021	10.6
425.26401	24.5
433.27417	42.8
435.29083	11.5
443.25806	10.6
445.40073	7.6
461.26840	33.2
479.27875	100.0
497.28677	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	514.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34224	2.9
55.01875	3.5
55.05497	14.8
57.07067	4.2
67.05492	25.1
69.03439	2.9
69.07059	13.7
69.49366	25.2
72.34397	3.1
79.05472	16.3
81.07050	29.8
83.04968	28.4
91.05486	15.5
91.05948	3.1
93.07047	29.8
94.62057	3.0
95.04948	9.1
95.08593	67.2
95.09166	5.3
97.06519	13.3
99.04440	4.4
105.07021	24.7
106.62514	3.3
107.08603	27.9
109.06501	9.9
109.10123	20.3
111.08066	8.9
114.73717	3.4
117.07000	10.4
119.04946	3.8
119.08556	27.9
121.06486	7.1
121.10148	19.9
123.04443	3.1
123.08023	22.8
123.11667	3.4
123.85162	3.4
128.06268	4.7
129.06979	8.8
131.08545	18.8
133.10126	11.7
135.08055	6.1
135.11655	11.7
137.09575	3.8
139.07552	3.2
141.05424	3.3
141.06961	6.7
141.09085	14.0
142.07716	7.4
143.08531	23.3
144.09288	6.9
145.10078	22.9
147.11702	12.3
149.13237	4.1
152.19057	3.9
155.08548	12.8
156.09323	5.7
157.06500	5.3
157.10110	29.1
159.11670	27.7
161.09650	4.1
161.13208	4.4
163.11145	3.4
165.07048	4.7
167.08577	5.4
168.09290	4.6
169.10080	16.0
171.11716	20.7
173.09509	3.8
173.13213	12.3
175.11113	3.7
175.14813	6.4
179.08507	8.7
181.10074	9.0
182.10881	5.6
183.07970	6.4
183.11676	16.7
184.12416	3.3
185.09619	11.0
185.13275	10.3
187.11227	6.9
187.14764	3.7
193.10196	7.4
195.11697	14.8
196.12325	5.4
197.09616	5.8
197.13213	20.7
199.11079	4.2
199.14853	5.5
203.14311	4.2
207.11729	9.7
209.09723	3.9
209.13298	14.3
211.14822	12.6
213.09123	8.1
213.12749	4.8
219.11653	3.9
221.13245	9.3
223.11172	7.5
223.14810	7.2
225.12701	15.5
225.16397	6.8
231.10112	7.0
233.13374	5.4
235.14822	7.2
237.12727	5.8
237.16426	4.9
239.14272	5.2
245.11517	5.2
249.16492	3.9
251.14352	6.8
251.17824	6.2
259.12994	4.6
261.16254	5.1
263.17966	3.8
265.15912	3.4
265.19376	7.7
266.20258	9.6
267.21042	6.2
271.13477	3.4
275.17807	5.3
283.13318	5.8
291.17532	4.8
293.15710	3.3
293.19012	12.6
295.20520	9.1
303.17368	4.1
311.16586	4.1
319.20569	3.6
321.18475	11.6
325.21457	4.5
339.19443	22.9
347.20023	6.4
365.21002	14.6
379.22604	10.1
405.27402	5.0
415.26324	10.1
417.27716	11.0
425.24918	7.4
433.27274	32.3
435.28809	19.5
443.25745	16.7
461.26697	32.9
479.21432	7.2
479.27869	100.0
497.29053	4.6
514.51129	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	515.1176
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
50.08295	0.8
55.01863	1.2
59.06112	0.9
59.72424	0.7
65.03929	1.5
67.05489	2.2
68.85184	0.8
69.03414	1.8
69.24792	3.3
69.25220	4.8
70.06613	1.0
81.03365	0.8
83.04981	5.7
85.02912	2.0
89.91492	0.7
93.03396	2.4
95.04967	2.1
100.07700	0.7
101.93245	0.8
107.04992	1.0
111.04429	6.5
117.03400	0.8
121.02879	1.6
123.04423	3.3
127.03925	0.8
129.05467	1.9
133.02844	2.6
135.04364	2.7
137.02328	6.8
139.03891	2.4
141.06931	1.4
145.02808	2.2
147.04425	1.6
149.10031	0.7
153.07039	1.0
153.78752	0.8
157.04990	1.3
159.04446	1.1
160.05118	1.0
161.02330	2.7
162.03140	1.1
163.02548	0.9
163.03900	17.1
164.04279	1.2
165.06987	10.0
173.02350	5.9
176.06160	0.8
177.06984	2.6
179.03423	1.4
181.06459	2.2
187.03886	4.5
193.06456	6.9
195.08110	1.1
197.05981	2.6
203.03310	0.9
203.05116	1.0
205.06499	5.4
211.07567	3.7
221.05949	38.5
222.06335	1.0
223.07481	7.9
225.05447	3.2
231.02852	2.3
233.05893	4.2
239.06993	9.0
249.05446	50.7
250.06197	3.5
251.06992	7.7
253.04967	2.1
255.06551	1.4
259.03851	1.2
261.05518	2.1
266.05664	1.1
267.06503	11.0
269.08099	4.7
277.04913	31.5
278.05743	5.7
279.06451	10.0
281.04510	3.3
285.07513	0.9
295.05984	92.2
296.06479	2.3
297.07697	3.9
299.05493	1.8
305.04474	6.0
313.06964	4.1
323.05475	100.0
324.05798	2.7
341.06531	40.4
342.06812	1.1
469.11176	3.9
497.10583	1.3
515.11792	28.8
515.18671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18159	0.4
69.36381	0.4
71.15324	0.5
71.15678	0.9
74.20643	0.3
79.69357	0.3
85.02885	0.5
90.10783	0.4
115.05421	0.6
117.06986	2.3
132.13779	0.4
143.07320	1.2
144.08069	100.0
145.06395	0.4
145.08414	1.3
160.07570	0.5
161.10727	14.0
161.12082	0.7
163.03938	1.3
187.03860	0.4
221.06020	0.8
223.07704	0.5
246.65518	0.4
249.05557	0.8
267.66800	0.4
269.07684	0.4
295.05978	1.7
323.05438	1.5
343.08224	0.5
393.90457	0.4
471.21970	0.6
515.21228	2.1
538.18854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03952	4.4
55.01859	2.5
55.05260	1.5
55.05505	20.2
56.61796	0.9
57.03431	6.5
57.07069	1.8
65.03925	3.1
67.05497	53.5
69.07058	15.9
71.01334	1.8
71.04978	3.2
71.14454	1.6
71.89485	0.8
77.47021	0.8
79.05484	48.5
81.03407	2.5
81.07046	38.0
82.98496	0.9
83.04977	7.8
83.08607	8.0
85.06535	3.7
91.05472	32.3
93.07031	57.9
95.04964	7.8
95.08597	28.0
97.06530	8.4
97.10153	7.8
99.08067	1.8
105.04500	1.7
105.07017	17.5
107.05006	1.3
107.08582	34.1
109.06501	2.5
109.10144	12.1
111.08070	2.2
117.07008	10.5
119.08553	14.7
120.26458	0.9
121.10132	16.5
123.08050	1.0
123.11715	2.5
125.09659	2.8
128.06213	1.5
129.06981	4.4
130.07758	1.5
131.08556	16.5
133.10110	11.7
135.11681	32.0
137.09602	1.7
139.11162	1.1
141.06990	1.6
143.08551	4.6
145.10098	18.9
147.11646	5.6
149.13226	5.0
149.16415	1.0
153.12782	2.9
155.08597	2.0
157.10089	5.9
159.11664	8.2
161.13274	4.6
163.11169	4.2
163.14874	1.3
169.10146	2.8
171.11670	5.1
173.13211	5.9
175.14780	2.0
181.10138	1.1
181.12201	5.8
183.11664	2.6
185.13263	4.2
187.14835	2.1
189.16377	1.1
195.11601	1.1
197.13251	1.6
199.14886	1.8
201.16357	2.6
211.14682	1.0
237.16533	1.0
243.21095	1.5
261.22113	5.2
299.23511	1.2
311.23700	1.1
325.25168	1.5
405.31619	2.4
423.32413	8.4
441.33676	3.3
459.34671	1.5
479.35117	1.7
497.36264	3.9
515.37274	100.0
516.37598	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	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.1
51.28251	1.0
53.03930	3.8
55.01883	1.9
55.05502	16.7
57.03436	5.5
57.07070	1.8
61.16379	1.0
65.03921	2.1
67.05497	42.5
69.07057	12.9
71.01347	1.5
71.04980	1.7
71.57157	1.2
71.57602	1.6
79.05482	43.1
81.03426	2.5
81.07046	31.7
83.04964	3.9
83.08609	6.2
85.06558	3.4
91.05472	26.5
93.07037	44.9
94.62611	1.1
95.04967	5.2
95.08598	24.1
97.06544	5.7
97.10150	5.8
99.08068	1.3
105.07012	18.2
107.08582	22.8
109.06484	1.5
109.10137	9.4
111.08121	1.3
115.05424	1.2
117.07011	11.7
119.08565	16.7
121.06534	1.6
121.10131	14.1
123.08061	1.7
123.11692	2.4
125.09615	2.2
128.06194	1.1
129.06972	6.3
130.07738	1.3
131.08557	18.2
133.10121	12.3
135.11684	25.1
137.09573	1.2
143.08549	6.4
145.10112	13.7
147.11671	7.7
149.13231	4.0
153.12666	1.1
155.08507	3.0
157.10144	6.6
159.11659	9.6
161.13235	3.6
163.11194	3.0
169.10143	3.0
171.11711	5.0
173.13217	8.7
175.14824	2.3
181.10133	1.7
181.12177	4.3
183.11684	3.9
185.13264	5.2
187.14836	3.0
189.12968	1.0
195.11752	2.3
197.13312	3.5
199.14833	2.9
201.16481	1.5
209.13295	1.8
211.14809	1.6
213.16275	1.2
214.87416	1.1
223.14798	1.4
225.16476	1.2
261.22076	3.2
297.22144	1.1
311.23737	1.6
317.24789	1.6
341.24640	1.0
403.28842	1.1
405.31573	3.1
423.32507	9.1
441.33646	3.3
459.34766	2.6
497.36237	4.9
515.37262	100.0
516.37445	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	515.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03941	4.6
55.01868	2.4
55.05251	1.2
55.05507	18.5
57.03435	7.4
57.07060	1.4
65.03921	2.8
67.05499	55.1
68.54140	0.9
69.07059	17.5
71.01353	2.1
71.04973	2.9
71.08643	1.0
71.49088	1.5
79.05486	52.9
81.03406	1.9
81.07049	44.8
83.04967	8.1
83.08611	6.9
85.06529	2.7
86.28858	1.1
91.05474	32.0
93.07034	55.0
95.04958	6.2
95.08594	28.2
97.06537	7.4
97.10171	8.6
103.05432	1.3
105.07023	21.6
107.04984	1.0
107.08584	30.9
109.06513	1.7
109.10141	11.4
111.08067	2.8
111.11658	1.4
115.05445	1.5
117.07019	11.7
119.08566	19.0
121.10133	15.9
123.08076	1.2
123.11696	2.8
125.09610	2.2
128.06189	1.3
129.06975	5.1
131.08553	19.5
131.09483	1.4
133.10112	14.0
135.11685	31.7
137.09499	1.0
138.12659	1.2
142.07768	1.5
143.08566	7.2
145.10110	19.1
147.11722	5.8
149.09642	1.2
149.13257	4.0
153.12752	2.2
155.08537	2.6
157.10063	6.4
159.11653	10.6
161.13255	4.2
163.11172	3.5
163.14771	1.8
169.10132	3.7
171.11618	5.0
173.13225	9.3
175.14861	3.2
181.10159	1.2
181.12251	3.6
183.11668	3.9
185.13260	5.2
187.14763	3.4
195.11650	2.0
197.13286	3.7
199.13191	1.2
199.14796	3.3
201.16298	1.0
209.13185	1.8
213.16505	1.8
221.11427	1.0
223.14786	2.0
225.16473	1.1
237.16556	1.3
243.21013	1.5
261.22162	4.2
297.22198	1.3
299.23660	1.1
311.23721	2.0
330.87317	1.0
345.04144	1.2
405.31299	4.6
423.32480	9.1
441.33560	3.6
459.34912	1.2
493.86386	1.0
497.36298	4.6
515.37274	100.0
516.37433	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	515.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.2
53.03936	3.9
55.01862	1.9
55.05513	17.7
57.03424	7.2
57.07076	1.9
57.11646	1.4
65.03927	3.4
67.05497	54.4
69.03415	2.2
69.07058	12.9
69.85364	9.7
71.04986	3.7
79.05486	52.5
81.03399	4.4
81.06584	2.4
81.07049	37.9
83.04978	9.5
83.08597	6.5
85.06517	2.0
91.05470	26.4
93.07034	57.9
95.04960	7.3
95.08601	29.8
97.06514	9.0
97.10173	7.7
98.21476	2.7
99.08099	2.2
103.05493	1.5
105.07009	21.8
107.08578	29.9
109.06516	2.3
109.10146	13.6
111.08053	1.9
117.06975	12.1
119.08572	15.1
121.10130	16.2
123.11705	2.9
126.69846	1.5
129.06979	4.4
131.08536	13.9
133.10120	12.8
135.11682	38.0
142.15997	1.6
143.08554	4.3
145.10104	19.3
147.11679	6.7
149.13255	4.1
152.85086	1.5
155.08533	2.6
157.10153	5.9
159.11697	11.0
161.13376	2.3
163.11111	4.6
169.10155	3.1
171.11678	6.2
173.13216	7.6
181.12256	5.2
183.11758	2.5
185.13231	4.8
187.14777	3.3
195.11668	3.1
197.13258	3.6
199.14868	4.0
207.83528	1.7
261.22165	3.2
299.23828	1.8
368.06836	2.0
405.31497	2.1
423.32529	10.3
441.33905	2.0
459.34668	2.7
497.36194	5.5
515.37280	100.0
516.37805	6.0
533.07642	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	516.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03932	0.5
54.57006	0.3
55.01869	1.0
55.73668	0.2
56.43367	0.3
57.03403	0.4
59.04939	0.2
61.02917	0.5
67.01871	0.3
67.05495	1.1
68.99801	0.6
69.03421	1.6
71.04974	0.3
71.52914	0.4
79.01835	4.1
81.03400	3.7
83.04955	0.4
85.02893	3.8
91.03946	0.3
93.03388	1.0
95.04955	0.6
97.02869	2.5
99.04436	0.4
107.01303	3.3
109.02857	6.9
111.04429	1.0
123.04426	0.6
123.64326	0.3
125.02328	5.7
127.03897	16.0
132.26183	0.3
135.00783	0.7
135.04362	0.4
139.03874	62.3
140.04210	0.6
143.03365	7.2
145.04930	1.0
149.02370	0.4
153.01801	100.0
153.02754	3.8
154.02118	0.9
163.03854	2.1
167.03371	59.7
168.03690	0.5
171.02856	52.7
172.03133	0.5
185.04428	6.6
193.93048	0.3
208.12047	0.3
220.46335	0.3
222.06230	0.3
223.07559	0.6
223.46208	0.3
251.07002	0.9
269.08023	0.7
278.05411	0.3
279.06412	1.3
295.06061	0.3
296.06415	0.9
297.06027	1.3
315.07059	3.0
325.06992	0.7
390.17743	0.3
482.74075	0.3
499.11780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30365	3.6
53.03937	4.3
55.05500	16.2
59.05008	4.2
67.05496	28.7
69.03424	4.1
69.07064	11.7
69.29259	43.3
79.05476	22.4
81.07039	45.1
83.04973	40.4
83.35059	4.2
91.05469	33.7
93.07024	45.4
95.04961	15.3
95.08590	100.0
95.59203	3.9
97.06511	9.0
98.97543	4.3
101.07142	4.0
105.07015	60.7
107.08580	51.1
109.06514	13.8
109.10157	31.2
109.26668	4.0
111.04444	10.3
111.08075	11.1
111.14236	3.6
115.05445	4.0
117.07016	16.0
119.08563	61.3
121.06507	13.7
121.09419	3.7
121.10114	25.0
123.08034	13.3
123.11649	11.2
123.27149	3.7
125.09631	8.0
129.07011	10.1
131.08545	45.4
133.06526	7.5
133.10104	43.7
135.08035	12.8
135.11684	18.0
137.09615	5.3
139.03807	4.9
139.07495	7.4
141.06989	7.5
141.09079	5.4
143.08559	33.2
145.06474	6.2
145.10118	57.8
147.08037	16.4
147.11612	29.8
149.13182	5.1
155.08575	11.6
157.10104	39.2
158.10942	5.9
159.08063	11.0
159.11667	47.9
160.08804	5.0
161.08443	3.9
161.09570	22.0
161.13228	18.6
163.11176	7.6
169.10136	15.8
171.08112	5.8
171.11670	27.4
172.08841	5.5
173.09628	14.8
173.13216	34.4
175.11201	9.8
175.14847	9.2
179.07037	4.7
183.11684	18.8
184.07365	14.1
185.09665	7.1
185.13232	22.1
187.11200	18.9
187.14792	15.0
189.12703	8.1
195.11617	7.1
197.13240	16.6
199.11162	5.4
199.14833	13.2
201.12720	23.3
203.14229	7.0
205.08406	5.7
207.11787	4.1
209.13306	7.8
211.14793	10.1
213.12709	14.2
213.16400	13.0
215.14323	19.7
215.17830	4.7
219.13737	10.2
223.14897	4.8
225.12801	5.8
225.16397	6.0
229.15912	6.3
233.11702	7.3
233.15221	9.5
237.16411	5.8
243.13774	6.4
245.15433	5.9
247.13310	12.9
247.16916	6.8
251.18034	5.3
253.19525	8.8
259.13251	5.0
261.14841	9.3
267.17551	4.6
267.20914	4.9
295.20685	6.0
302.62656	5.1
323.20071	7.2
341.21124	16.7
353.24728	24.0
393.27786	32.3
407.29514	9.7
417.27985	24.1
418.84940	4.1
419.29581	5.7
427.26266	7.1
435.29117	25.8
445.27216	31.1
453.29922	6.9
463.28369	35.1
481.29370	66.8
499.30173	12.2
516.15179	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	517.1336
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.73914	0.5
69.93849	0.6
70.74985	1.7
79.05476	1.7
89.03909	10.7
91.05500	0.6
93.07008	1.0
95.04952	0.9
107.04964	2.9
107.08590	0.8
117.03368	10.6
133.17209	0.7
135.04405	22.3
136.04662	0.6
145.01738	1.1
145.02841	14.4
153.05470	0.6
163.03886	100.0
164.04185	1.8
176.21460	0.6
219.10150	0.8
307.30212	0.7
319.08206	3.3
371.11450	0.7
380.62460	0.7
499.12119	1.3
525.57227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1335
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
55.05518	3.0
60.04034	2.3
60.13169	2.1
67.05492	3.5
71.54141	2.6
79.05476	6.1
81.07036	8.7
85.02888	4.6
85.06560	2.1
86.09686	4.0
87.46014	1.9
89.03920	10.1
91.05447	3.0
93.07041	4.7
95.04970	4.1
97.02936	2.7
105.07017	3.1
105.29661	2.1
107.04957	2.9
107.08589	2.7
109.02910	2.4
109.10167	2.2
117.03385	9.3
119.04913	4.5
121.10108	4.3
123.04436	16.1
127.03929	2.6
130.05031	3.6
133.10091	3.7
133.76277	2.1
135.04402	20.8
137.05931	4.6
137.09593	2.5
139.03952	2.3
145.02846	10.0
147.04402	15.7
147.07631	3.2
149.05902	2.5
151.03891	72.1
163.03889	99.9
165.05457	8.0
165.12791	2.5
177.05473	6.1
201.09061	2.1
205.06473	2.2
209.15352	7.6
219.10135	100.0
303.08527	2.7
348.00485	2.1
371.15002	11.4
517.06830	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	517.1335
Annotation	Formononetin 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
52.37410	0.9
53.03944	1.3
55.01860	4.0
55.05491	1.2
61.26244	0.8
65.03921	2.9
67.05489	3.3
69.03431	4.5
69.97466	1.1
71.11488	2.6
79.05483	1.1
83.04972	4.8
85.02888	1.2
89.03893	8.1
91.05453	0.9
92.79702	1.0
93.03381	2.8
95.04958	4.1
99.00805	5.2
107.04958	4.6
107.36235	0.9
111.04406	7.7
117.03345	8.3
123.04410	15.1
124.52272	1.0
129.05447	2.8
131.04918	1.1
135.04395	19.6
137.02338	4.5
139.03841	3.7
145.02818	13.9
147.04393	2.7
152.06180	0.9
157.04964	1.1
159.04321	2.2
163.03877	100.0
164.04257	1.8
165.05507	0.9
167.08485	1.9
175.03882	1.4
176.06183	1.2
177.05510	1.6
177.06953	8.5
181.06462	3.0
187.03934	1.2
189.05450	1.6
189.07028	1.8
195.08012	6.2
203.03381	3.9
205.04564	2.1
205.06454	31.4
209.06036	1.3
215.03349	1.5
223.07474	23.3
233.03781	1.6
233.05963	24.2
237.05437	4.0
241.08580	1.3
250.06282	1.8
251.07001	53.3
252.07399	1.8
255.06493	2.1
261.05447	10.4
269.08035	32.8
273.05988	5.5
279.06476	87.5
280.06955	2.8
281.07919	1.5
283.06061	4.6
289.04999	3.2
297.07516	60.5
298.07816	1.4
307.05942	21.4
308.06686	1.1
324.06357	1.1
325.07007	43.2
326.07208	1.3
343.08102	7.3
377.08936	1.6
379.21930	0.9
499.12292	13.7
500.13766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.134
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
53.03937	0.5
55.01860	0.4
63.02362	0.7
66.93103	0.3
67.05486	0.7
69.03426	0.3
69.17472	1.6
69.17894	2.2
72.89677	0.3
79.05484	1.9
83.04967	1.0
84.08086	0.4
85.02863	0.3
89.03912	9.2
95.04960	1.8
107.04956	4.2
111.04432	1.2
117.03371	9.8
123.04423	1.2
135.04405	23.4
136.04739	0.4
137.05981	0.4
139.03900	1.6
145.02834	13.5
153.05463	1.6
163.03893	100.0
164.04268	1.7
181.05017	0.7
199.04021	0.5
199.06024	1.2
279.06473	0.4
319.08096	3.1
325.06876	0.6
337.09125	3.7
361.09180	0.5
379.10107	0.8
499.12448	1.9
517.13867	1.3
517.21899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3155
Annotation	Galphimine B
Peak:m/z	Relative Intensity
55.05495	2.4
66.87182	0.8
67.05502	5.4
69.07043	2.2
70.72108	1.7
79.05470	4.5
80.55176	0.7
81.03405	1.7
81.07043	6.3
83.04957	3.3
83.08611	0.9
91.05462	7.1
93.07045	7.7
95.04951	2.9
95.08593	12.4
97.06558	1.1
105.07009	7.5
107.08591	5.8
109.06492	3.2
109.10125	5.5
111.04418	2.4
111.08065	2.1
117.06985	2.3
119.08575	8.0
120.54472	0.8
121.06428	1.3
121.10127	4.6
123.08037	2.9
123.11716	2.2
125.71615	0.7
128.06207	1.1
129.06985	2.2
131.08542	7.2
133.06407	0.8
133.10114	5.2
135.08038	1.3
135.11642	1.8
137.09633	1.6
139.07497	1.3
141.06993	1.7
141.09090	1.6
142.07784	1.3
143.08549	3.9
145.06477	0.8
145.10100	7.7
147.08040	0.8
147.11670	3.4
149.09573	1.5
149.13252	1.0
155.08542	2.9
157.10104	5.6
159.11652	5.8
161.09579	1.7
161.13197	1.5
161.21976	0.8
163.11160	1.1
167.08478	1.0
169.10130	3.4
171.11668	4.0
173.09637	1.6
173.13243	3.1
175.11201	2.5
175.14815	1.3
181.10112	2.0
183.11635	2.7
185.09576	1.2
185.13223	3.6
187.11183	1.3
187.14807	2.2
189.12717	2.1
193.10153	1.1
193.12260	1.2
195.11638	2.4
197.13243	3.3
198.45445	0.8
199.11142	1.1
199.14754	1.3
201.12682	2.0
203.14278	1.2
207.11612	1.5
209.13254	1.7
211.14883	1.7
213.12674	1.3
215.14267	2.6
219.13760	0.9
221.13298	1.5
223.14894	1.1
225.12724	1.1
225.16374	1.6
227.14183	1.2
231.20590	0.8
233.15306	2.8
235.14745	1.6
239.14223	1.1
239.17819	1.1
251.17935	1.2
253.19371	1.9
263.17993	1.3
269.18997	1.6
281.18915	2.1
283.20782	0.9
348.30026	0.9
393.27838	3.0
403.26285	2.1
409.27304	16.9
421.27374	15.1
439.28394	100.0
440.28839	2.1
463.28122	2.1
469.29895	1.0
481.29300	1.2
499.30453	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	517.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01877	1.1
55.05288	0.9
55.05507	11.7
56.83839	0.8
57.03434	4.5
57.07059	2.1
63.22786	0.8
64.62045	0.7
65.03948	0.9
66.49943	0.7
67.05495	30.3
67.05859	1.6
69.07062	14.7
69.51177	7.2
71.04986	1.1
79.05482	21.8
81.03350	0.7
81.07047	33.4
83.04961	1.7
83.08617	8.2
85.06538	2.0
91.04937	1.6
91.05472	19.3
93.07037	27.1
95.04965	2.8
95.08595	29.1
97.06548	4.5
97.10168	4.2
100.66749	0.8
105.07019	24.6
107.08585	21.1
109.06490	0.9
109.10146	12.2
111.08061	1.5
117.07009	7.9
119.08571	20.7
121.10130	17.6
123.11705	2.5
125.09581	1.3
127.15954	0.8
129.06990	4.5
131.08560	17.3
131.09494	1.5
133.10117	17.5
135.11664	8.6
137.09653	1.2
141.06969	1.0
143.08527	4.5
145.10104	16.1
147.11671	12.8
149.09662	1.0
149.13229	6.7
151.49742	0.8
155.08572	2.2
157.10078	4.4
159.11665	12.3
161.13243	6.1
163.11153	1.0
163.14844	2.3
169.10138	3.0
171.11688	6.3
173.13245	10.8
175.14778	3.9
177.16348	2.0
183.11731	2.6
185.13261	3.7
187.14822	4.4
189.12740	1.5
189.16386	2.2
197.13258	1.7
199.13245	1.8
199.14861	3.2
201.16438	3.3
203.17998	1.0
211.14822	1.8
213.16489	1.2
213.75539	0.9
219.17465	0.8
223.16759	1.0
241.17926	2.3
245.19057	1.7
259.20563	2.9
267.19662	1.1
271.20438	1.1
273.22174	1.8
279.19659	1.3
281.21085	1.1
285.22226	1.5
287.23788	2.4
299.23621	1.8
301.25317	1.1
305.24728	0.9
313.25143	1.2
315.23016	1.0
317.24979	1.5
325.25183	1.6
327.26688	1.3
333.24313	1.0
345.27957	1.2
347.25748	1.1
387.28799	1.0
389.50024	0.8
391.28345	1.2
397.30640	0.9
405.29874	1.7
407.33063	3.3
425.34143	15.1
426.34512	1.1
443.35132	7.5
447.30978	1.2
461.36472	0.9
481.36783	1.2
499.37735	18.5
500.38098	1.2
517.38837	100.0
518.39447	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.38957	0.7
53.03934	2.4
54.19790	0.7
55.01850	0.7
55.05505	16.1
57.03434	4.6
57.07060	2.1
65.03928	1.7
67.05496	33.2
69.06712	1.3
69.07058	16.3
69.81097	4.5
71.04977	2.4
71.91439	0.6
79.05479	23.7
81.07048	35.2
83.04985	1.6
83.08611	9.6
84.75483	0.6
85.06538	2.4
85.90520	0.7
91.05471	19.9
93.07031	31.3
95.04963	2.3
95.08596	29.6
97.06501	3.8
97.10166	5.0
99.08077	1.5
105.07016	25.8
106.07336	1.0
107.08583	21.9
109.06509	1.1
109.10146	14.5
109.10876	0.5
111.08085	1.7
117.06995	7.9
119.08564	24.3
120.16964	0.6
121.10117	15.3
121.10903	1.1
123.08022	1.3
123.11674	4.0
124.46491	0.8
125.09628	1.6
129.06973	3.8
131.08543	16.6
133.10118	18.8
135.11679	11.0
137.09608	1.0
137.13261	1.2
141.06927	1.5
143.08549	5.4
145.10115	14.9
147.11673	13.6
148.11981	0.9
149.09601	1.1
149.13220	5.7
155.08533	2.1
157.10107	4.7
159.11665	13.0
161.13231	7.4
163.11183	1.3
163.14903	3.7
169.10123	1.9
171.11655	6.5
173.13228	10.6
175.14799	4.6
177.12778	0.8
177.16368	1.3
183.11687	2.2
185.13254	5.7
187.14816	4.1
189.16414	2.4
195.11789	1.0
197.13278	2.4
199.14767	4.4
201.16379	2.6
211.14812	1.7
213.14645	1.0
213.16432	2.7
219.17549	1.1
223.14807	0.7
225.16380	2.2
227.18140	1.4
231.17357	0.9
240.75684	0.7
241.17966	2.9
245.19083	1.5
259.20477	4.6
269.22400	1.0
273.22153	1.8
275.20065	0.8
285.22324	1.1
287.23605	2.3
299.23712	2.3
301.25143	1.4
303.23236	1.1
313.25131	1.4
315.23312	1.6
317.24734	1.0
327.26907	1.0
331.26328	1.1
333.24231	1.8
357.27710	1.0
391.28610	1.2
405.30051	1.5
407.33057	4.2
419.32162	1.1
425.34094	15.4
443.35355	7.6
447.30902	1.6
461.36685	1.1
481.36551	1.2
499.37811	18.4
500.38324	1.0
517.38831	100.0
518.39185	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	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.56675	1.0
53.03945	2.2
55.01855	1.6
55.05505	13.9
57.03419	3.8
57.07056	3.2
67.05494	34.6
69.07059	13.8
69.98817	5.4
71.04977	2.3
79.05483	25.0
80.00639	1.2
81.03376	1.7
81.07044	38.4
83.04971	2.7
83.08614	7.7
85.06516	2.3
91.05466	23.1
93.07033	33.0
95.04933	1.9
95.08591	28.6
97.06544	1.8
97.10150	4.2
98.20734	1.2
99.08089	1.5
103.05507	1.6
103.14965	1.1
105.06360	2.1
105.07022	28.7
105.07742	1.5
107.08583	23.0
109.06480	1.6
109.10134	16.3
111.08087	1.4
117.06998	9.3
119.08566	25.2
121.10127	18.5
123.08074	1.7
123.11706	3.9
125.09679	1.7
128.06226	1.6
129.06990	4.2
131.08542	19.1
133.10103	19.1
135.11658	9.9
137.09560	1.3
140.06154	1.2
141.06938	1.4
142.07800	1.2
143.08559	6.2
145.10100	19.5
147.11649	14.2
149.09587	1.7
149.13239	7.3
155.08609	1.6
157.10117	6.1
159.11665	13.0
161.13229	8.2
163.14845	2.4
169.10149	4.0
171.11707	5.1
173.13255	10.0
175.14803	4.6
177.16376	2.5
183.11679	3.3
185.11774	1.1
185.13261	5.1
187.14841	4.6
189.16400	2.3
197.13338	2.0
199.14807	3.3
201.16418	3.1
203.18050	1.4
211.14911	1.8
213.16435	1.4
215.18051	1.2
219.17345	1.8
225.16385	1.5
229.19620	1.3
231.17456	1.3
233.19104	1.4
241.17955	3.6
245.18961	1.4
259.20590	4.0
273.22083	1.3
285.22141	1.6
287.23831	2.1
291.23245	1.4
299.23669	2.6
301.25388	1.8
305.24774	1.4
313.25241	2.0
333.24503	1.5
335.25861	1.3
373.27338	1.4
391.28613	2.4
407.33289	3.4
419.31604	1.9
425.34076	13.7
426.34171	1.7
443.35303	7.2
461.36404	1.5
499.37787	19.4
500.38940	1.6
517.38885	100.0
518.39185	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	517.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01851	1.3
55.05506	14.9
55.14590	0.9
57.03413	3.5
57.07064	2.2
65.03931	2.1
67.05499	27.7
69.07057	12.3
71.05004	1.1
71.45428	1.9
78.35582	0.9
79.05053	1.3
79.05487	17.7
81.07047	31.2
83.04995	1.1
83.08603	8.2
85.06513	2.5
91.05468	18.2
93.07028	25.6
95.04972	1.7
95.08600	24.2
97.06535	2.5
97.10157	4.1
99.08091	1.1
105.07018	21.8
107.08572	17.1
109.06536	1.0
109.10145	12.3
117.07000	7.5
119.08566	20.5
121.10126	14.9
123.08029	1.9
123.11677	3.6
129.07005	4.4
131.08551	15.9
133.10118	16.0
135.08089	0.9
135.11684	7.0
141.07008	1.2
141.97548	0.9
143.08571	3.9
145.10106	14.5
147.11670	12.5
149.09593	1.3
149.13263	6.0
155.08508	1.1
157.10103	5.0
159.11670	11.1
161.09572	1.1
161.13222	6.3
163.11279	1.2
163.14821	1.5
169.10109	3.2
171.11639	4.7
173.13223	9.8
175.14825	4.3
177.16220	1.2
183.11658	2.3
185.11823	1.0
185.13251	5.4
187.14769	5.2
188.66263	1.0
189.16405	1.9
196.11545	1.0
197.13293	2.3
199.14830	2.8
201.16371	1.6
203.14301	1.1
203.17937	1.8
211.14835	1.7
211.55594	1.1
213.14699	1.8
213.16498	1.7
215.18002	1.5
215.75212	1.1
217.15842	1.1
228.00563	1.0
231.17375	1.3
241.17767	2.2
245.18834	1.2
257.18887	1.1
259.20551	3.4
273.22095	2.5
275.20190	1.6
287.23715	2.2
293.21027	1.1
299.23447	2.2
301.21808	1.5
301.25162	1.8
313.25290	3.6
317.24942	2.0
319.25998	1.1
327.26746	1.5
328.72006	1.0
333.24152	2.2
405.30121	1.9
407.28351	1.1
407.32889	5.5
425.34067	12.5
443.35150	6.4
463.36011	1.3
481.36679	1.3
499.37772	20.8
517.38824	100.0
518.39264	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	518.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66105	1.2
60.97116	1.1
67.05508	1.2
69.03423	2.2
69.26995	1.1
69.76211	5.0
69.76627	2.7
77.09541	1.1
79.05492	3.1
81.03404	3.0
81.07043	2.3
83.75536	1.2
85.02882	2.3
91.05473	5.1
93.07052	1.7
95.04957	1.4
97.02893	1.6
97.76839	1.4
106.01890	1.2
107.04939	13.3
109.02853	1.2
119.04927	15.0
119.08551	1.9
131.04854	1.2
137.05939	7.9
141.03065	1.1
146.62354	1.2
147.04391	100.0
147.07942	8.0
148.04730	2.5
148.07491	1.7
151.07593	1.1
162.09117	5.0
165.05440	7.2
190.08589	13.7
191.07001	1.9
277.78647	1.2
291.08493	6.1
309.09671	5.9
352.13864	2.8
370.14999	1.7
376.76105	1.3
476.39706	1.4
518.19470	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	518.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.01870	9.6
57.03193	1.3
57.03429	11.6
59.04995	2.4
61.02917	10.6
62.89737	1.3
67.05488	2.1
69.03426	21.5
69.07037	1.7
69.26047	13.2
69.77109	1.3
71.01346	1.8
71.04958	2.9
73.02911	20.0
79.05487	23.9
81.03395	5.7
81.07032	4.4
85.02895	66.1
85.06534	34.8
85.06954	0.8
87.04452	2.9
91.03935	3.6
93.07043	1.9
95.04961	2.7
95.08586	1.7
97.02882	28.4
99.04412	3.8
103.03923	1.9
105.03365	24.1
105.07037	1.9
109.02853	3.7
109.06481	3.2
109.10126	1.6
115.03925	12.5
117.06893	1.1
121.10188	1.6
123.04414	100.0
127.03893	21.9
133.04961	15.1
133.09984	1.4
135.07988	1.5
137.06059	2.0
145.04942	40.2
147.08047	1.4
150.07623	4.4
151.07547	2.3
163.06021	16.8
165.09103	1.7
182.58803	1.3
189.09071	3.7
189.37375	1.3
199.09583	1.9
205.15952	1.3
211.09679	1.4
229.10669	4.2
259.08282	1.7
268.93857	1.3
285.09586	4.0
287.88321	1.4
343.19077	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	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41094	0.1
56.05030	0.5
57.03437	0.1
58.06623	0.5
59.07370	0.2
60.08155	6.0
67.05487	0.6
69.07072	0.2
71.07365	3.3
74.52206	0.1
79.05470	0.3
81.07044	0.6
86.09694	32.3
87.10046	0.1
91.05469	0.2
93.07024	0.3
95.08617	0.3
98.98448	3.4
101.97773	0.1
104.10730	2.8
105.07008	0.1
107.08589	0.2
109.10151	0.1
117.06992	0.1
119.08592	0.1
121.10158	0.1
124.99988	22.7
143.01028	0.3
163.01443	0.1
184.07317	100.0
185.07635	0.6
195.86272	0.1
258.10999	0.3
326.69031	0.1
500.31143	1.1
509.21381	0.1
518.32269	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	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85870	0.2
55.05494	0.7
56.05029	1.7
56.05266	0.3
57.03429	0.3
57.07063	0.2
57.80618	0.2
58.06560	1.5
59.07370	0.5
60.08156	18.5
62.54261	0.2
67.05499	3.3
69.07046	0.9
70.06565	0.4
70.27477	0.5
70.27869	0.4
71.07364	8.8
79.05477	2.2
80.30074	0.2
81.07043	2.2
82.96002	0.2
86.09695	56.9
87.10012	0.3
91.05474	1.0
93.07039	1.7
95.04939	0.3
95.08589	1.8
97.06486	0.3
98.98452	5.2
104.10730	100.0
105.07008	0.6
105.11072	0.6
107.08574	0.8
108.20937	0.2
109.10181	0.5
114.46353	0.2
119.08520	0.3
121.10146	0.7
124.99987	31.8
131.08496	0.3
135.11621	0.3
163.01550	0.7
184.07315	98.1
185.07655	1.0
185.09091	0.2
220.35184	0.2
258.10980	1.2
311.18857	0.2
335.25760	0.8
441.23889	0.4
500.31305	7.8
501.31207	0.3
518.32379	23.0
519.32782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57789	0.5
55.01879	0.6
55.05486	0.5
57.03417	1.2
65.03930	0.4
67.05481	0.9
69.03423	2.4
69.59401	0.5
70.91314	0.6
70.91655	1.1
71.04964	1.3
73.02912	0.9
76.02220	0.8
79.05491	2.4
81.03392	1.8
81.07030	1.6
85.02888	2.1
85.06521	0.7
89.03914	1.1
91.05454	1.6
93.07021	1.9
94.06557	1.3
95.04958	0.9
95.07336	1.2
95.08560	0.8
96.08110	2.9
97.02860	1.6
97.06519	0.9
99.04469	0.5
103.05463	0.6
105.07002	1.0
107.07349	0.5
107.08584	0.8
108.08111	2.7
109.02887	0.6
109.10111	0.8
110.09660	3.1
111.08050	0.5
114.28394	0.5
114.56679	0.4
116.04948	4.5
118.06526	0.5
119.04889	0.7
119.08589	1.3
120.04474	0.6
120.08102	3.5
121.06464	1.0
121.10081	0.6
122.06020	4.4
123.04369	0.5
124.07560	0.8
127.03892	0.9
129.07059	0.5
131.04950	0.5
131.08542	0.8
133.06566	0.5
133.10109	0.6
133.98589	0.4
135.04395	0.6
136.07568	7.2
137.05959	3.7
138.09129	4.8
144.04434	10.8
145.10120	0.5
146.05998	2.5
147.04364	1.5
148.03925	3.9
148.07552	1.8
149.04434	0.6
150.09082	0.5
160.07533	0.5
161.05933	0.6
162.05478	5.8
162.45271	0.5
163.03882	1.0
166.04956	1.4
166.08632	10.6
167.05551	1.7
172.03920	55.2
173.04265	0.6
173.09737	0.4
174.05478	1.9
177.12685	0.5
179.04796	0.7
190.04984	16.0
190.06720	0.9
204.06544	100.0
205.06906	1.2
208.10049	0.5
222.07535	0.7
225.14754	0.7
233.93568	0.5
283.02869	0.9
283.10782	1.4
297.12274	1.1
299.06192	3.0
303.04816	0.5
307.10565	0.5
316.08124	0.8
325.11792	2.2
329.14908	1.5
334.09155	3.0
339.13251	1.7
343.12900	2.0
344.97540	0.8
356.97043	0.5
357.14423	11.8
366.11703	0.5
374.98022	2.9
388.95651	1.0
392.99005	1.7
416.99100	0.8
429.26196	0.5
452.99142	0.5
459.17322	0.5
487.17236	3.3
501.18475	1.7
511.68176	0.5
519.20306	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	519.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.4
59.56311	1.0
71.52076	1.5
73.04749	2.2
89.03897	1.6
91.05799	8.3
91.83042	1.1
92.78655	1.1
93.38364	1.0
98.97572	1.9
115.05478	2.2
117.03372	1.7
117.55138	1.1
132.08038	3.8
135.04393	3.8
136.65642	1.1
139.03920	1.4
145.02838	2.1
149.04491	1.6
158.99680	1.4
160.07562	100.0
161.07883	1.2
163.03893	17.2
167.05554	7.4
177.10219	16.0
184.68092	1.2
189.00734	1.3
225.04184	2.4
237.02718	1.3
266.99915	3.0
283.02948	2.2
299.06165	14.0
332.01266	1.2
344.97638	2.5
415.03842	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	519.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01856	6.1
55.05485	1.9
56.99833	1.3
57.03438	10.4
61.02900	1.7
65.03928	1.7
67.05492	4.2
68.07421	1.2
69.03073	2.5
69.03420	37.1
69.73917	9.2
70.20933	1.3
71.01348	6.4
71.04979	1.6
73.02908	2.2
73.04723	1.9
73.06799	1.3
79.05467	5.0
81.03391	3.5
81.07059	10.9
83.04961	2.5
85.02893	71.3
87.04433	4.7
89.03902	1.7
91.05422	4.3
93.07010	3.2
95.04935	1.6
95.08582	5.1
97.02271	2.5
97.02877	32.6
98.97547	1.3
99.04436	3.0
105.07005	11.8
107.04953	5.2
107.08571	4.5
109.02859	1.6
109.06483	3.9
109.10145	13.9
111.04333	1.4
115.03913	29.0
117.03299	1.8
119.04971	2.1
119.08562	12.3
121.06535	1.4
121.10137	6.2
123.04351	3.1
123.08047	3.6
123.11690	47.8
125.05988	8.1
127.03889	3.9
128.06215	1.3
131.04884	1.6
131.08556	3.5
133.04936	2.0
135.04379	2.9
137.05939	2.7
137.09665	1.4
139.07556	1.4
145.01663	2.3
145.02841	1.4
145.10121	5.8
147.04407	6.4
147.08031	3.0
147.11679	14.6
149.05960	2.5
149.09598	7.5
151.07527	8.5
161.13124	1.8
163.03860	5.8
163.11223	1.6
165.12730	1.8
167.05487	1.6
171.11678	1.8
189.12711	17.0
191.14314	1.4
207.13776	49.9
208.14218	1.5
225.14821	25.6
239.09203	2.1
279.15845	3.8
291.15863	6.5
299.06049	4.0
321.16931	14.0
339.17975	100.0
340.18430	2.6
344.97757	1.8
351.17950	5.8
369.19016	7.7
387.19885	2.8
434.00266	1.5
519.24341	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	519.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.7
57.03424	7.6
60.11526	3.0
61.02924	4.0
61.14873	2.9
63.21071	2.9
67.05521	5.9
69.03416	24.3
69.57137	9.5
69.57572	13.7
73.02907	23.8
79.05465	6.1
81.03425	10.1
81.07037	18.5
85.02895	100.0
89.03910	3.1
91.05441	3.4
93.07037	4.2
95.08598	5.9
97.02881	30.9
99.04466	4.7
105.07024	7.6
107.08607	4.3
109.02882	6.4
109.06507	6.2
109.10145	22.6
111.04473	3.3
115.03939	12.6
119.08615	10.1
121.10143	12.2
123.04445	3.4
123.08077	4.9
123.11695	80.3
125.05991	9.2
127.03905	11.6
131.08533	6.2
135.04355	5.1
137.05971	6.2
145.10152	12.5
147.04420	3.7
147.11705	10.9
149.09610	13.5
151.07530	5.4
159.11653	5.7
163.03865	17.2
167.05573	2.8
167.10651	4.2
189.12714	15.7
194.74339	3.2
207.13800	58.2
221.14165	2.9
225.14833	63.7
225.16864	5.5
261.14899	5.7
299.06171	7.7
321.16956	10.8
339.18152	18.3
351.18011	17.0
369.19064	32.3
387.20166	9.7
519.24475	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	519.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01859	3.7
57.03423	6.9
57.07067	2.6
67.05486	8.0
69.03423	34.5
69.07050	3.8
69.55120	18.6
71.04962	3.0
71.84622	2.4
73.02912	21.2
75.30206	2.7
77.95467	2.3
79.05468	4.4
81.03403	10.9
81.07040	18.4
83.04971	3.6
85.02897	100.0
91.05413	3.3
93.07050	5.9
94.09266	2.5
95.08569	5.2
97.02885	35.3
98.20708	3.1
99.04422	5.8
105.07026	11.2
107.08582	8.6
109.02850	7.6
109.06502	4.8
109.10137	17.2
111.04405	2.9
115.03921	13.5
119.08548	9.9
121.06477	2.4
121.10123	11.1
121.49543	2.3
123.08050	4.2
123.11689	88.4
124.12013	2.4
125.05955	15.8
127.03930	13.1
131.04892	3.1
131.08545	4.9
133.04951	4.9
135.04413	5.3
135.08008	2.9
137.05954	5.3
145.02841	4.7
145.10101	12.5
147.04442	3.5
147.07948	4.0
147.11653	11.1
149.09613	15.0
151.07536	9.4
159.11702	5.2
163.03896	11.7
163.11133	3.1
165.09077	2.3
167.05600	6.6
167.07051	2.5
167.10617	4.6
181.12270	4.3
187.11081	3.1
189.12743	18.7
207.13776	55.8
225.14844	62.7
240.01410	2.4
243.13837	3.4
261.14755	3.8
263.15179	2.6
299.06088	8.6
299.44885	2.2
321.16843	10.6
333.16867	3.2
339.17984	16.5
351.17911	17.5
369.19092	25.2
387.20117	7.4
428.99463	2.4
502.64795	2.6
519.17480	3.0
519.24500	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	520.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01088	0.4
50.15373	0.5
52.45134	0.5
53.80576	0.4
56.62541	0.5
69.99400	2.8
70.10006	0.4
79.05476	1.4
84.90855	0.6
89.03897	1.2
93.07039	1.2
98.21487	0.7
103.05457	7.1
107.04938	1.5
107.69564	0.4
116.56796	0.5
117.03368	1.0
120.08091	100.0
121.08450	0.7
131.04945	2.1
135.04362	2.4
145.02829	1.7
149.05963	1.5
163.02519	1.0
163.03886	23.6
166.08621	43.1
167.05586	1.0
205.19940	0.6
310.17188	0.5
370.93219	0.6
541.05426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01866	0.9
55.05506	8.6
57.03437	6.2
57.07063	0.9
65.03937	1.4
67.05496	32.1
69.07068	7.1
70.78054	1.1
70.78403	1.1
71.04977	1.0
71.79269	0.8
79.05063	0.9
79.05489	13.9
80.35540	0.7
81.07045	26.9
83.04932	0.9
83.08607	3.2
88.03979	5.4
91.05464	6.8
93.07030	16.0
95.04956	1.9
95.08597	21.6
97.06514	0.8
97.10187	1.1
98.98460	5.2
105.06985	4.0
106.04974	2.0
107.08583	7.2
109.10155	7.9
117.06979	1.0
119.08549	3.0
121.10126	5.6
123.11666	2.0
131.08537	2.2
133.10126	2.3
135.11659	2.9
136.57193	0.7
139.08789	0.7
145.10078	2.2
147.11638	1.2
149.13239	2.1
159.11656	1.2
173.02084	1.9
173.13190	1.3
184.07295	2.3
185.07672	0.8
201.13728	0.7
208.20476	0.8
231.74995	0.7
233.90599	0.7
260.05042	0.8
261.22198	1.8
292.19882	1.2
335.25757	100.0
336.26132	3.3
348.25314	1.7
520.25275	1.7
520.32892	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71498	0.1
55.05511	0.3
55.99505	0.1
56.05029	0.5
57.03429	0.1
58.06622	0.4
59.07386	0.1
60.08156	6.2
67.05504	0.6
69.07060	0.3
69.90017	0.2
69.90434	0.4
70.06577	0.1
71.07366	3.0
79.05485	0.2
81.07058	0.6
83.08594	0.1
85.45149	0.1
86.09696	31.9
91.05470	0.1
93.07005	0.2
95.08580	0.4
98.98455	3.4
104.10734	3.1
107.64881	0.1
109.10162	0.1
121.69126	0.1
124.99990	21.9
135.11514	0.1
143.01039	0.3
184.07321	100.0
185.07680	0.4
215.04311	0.1
219.93713	0.1
221.77051	0.1
258.11090	0.2
310.04056	0.1
337.27115	0.3
502.33044	1.0
520.26605	0.1
520.33923	1.8
544.95062	0.1
549.50092	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
55.27904	0.2
55.60533	0.2
56.05022	1.3
57.03403	0.3
58.06572	1.5
59.07363	0.4
60.08156	17.8
67.05495	3.2
69.07077	1.4
69.56049	1.8
71.07364	7.0
73.23660	0.3
74.62029	0.2
79.05468	0.8
81.07045	2.9
83.08605	0.7
86.09694	54.3
87.10012	0.3
89.19623	0.2
91.05442	0.4
93.07018	0.8
95.08610	2.2
98.98454	4.7
104.10730	100.0
105.06998	0.4
105.11047	0.6
107.08559	0.5
109.10159	0.4
124.99987	31.3
133.10112	0.3
143.01003	0.3
163.01512	0.8
181.02635	0.4
184.07318	100.0
185.07709	0.5
254.55254	0.2
258.10986	1.2
337.27423	0.8
443.25317	0.6
502.32861	9.0
503.33090	0.3
520.33923	27.5
521.34430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
56.05019	0.5
56.43434	0.3
56.95783	0.4
58.06599	0.4
60.08154	6.6
60.85018	0.4
67.05489	2.6
68.42058	0.4
69.07056	0.9
69.51184	3.2
69.63251	0.4
69.94424	0.4
71.07360	2.5
74.06735	0.4
79.05480	1.3
81.07027	2.5
81.35629	0.3
83.04950	0.4
86.09695	31.2
91.05455	0.8
93.07027	2.1
94.72523	0.4
95.08594	4.4
97.10123	0.4
98.20663	0.4
98.98439	3.1
104.10725	3.0
105.07005	1.3
107.08588	2.6
109.10146	2.4
117.07016	0.7
119.08549	2.0
121.06457	0.4
121.10152	2.1
123.08041	0.3
123.11656	0.7
124.99989	21.3
131.08542	0.8
133.10114	1.8
135.08012	0.6
135.11699	1.2
142.04156	0.4
143.00943	0.4
145.10110	1.4
147.11674	1.0
149.09618	0.6
149.13194	0.5
157.10110	0.8
159.11681	1.2
161.09499	0.5
161.13200	0.8
169.10049	0.5
171.11607	0.7
173.09499	0.6
173.13281	0.9
175.11037	0.4
175.14816	0.9
179.10594	0.8
183.11713	0.6
184.07315	100.0
185.07733	0.4
185.13266	0.9
187.14767	0.8
187.64842	0.4
199.14778	0.4
201.12758	0.7
201.16365	0.5
209.13112	0.4
213.16260	0.4
229.15846	0.5
247.16809	0.4
281.22610	0.6
299.06119	0.5
318.26599	0.4
345.24173	0.6
421.31064	1.1
439.32269	0.7
449.30493	1.9
467.31369	1.7
485.32330	1.5
502.32532	1.2
518.34052	0.4
520.33777	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	521.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64318	0.2
51.02378	0.3
53.03926	0.3
55.05491	0.5
65.03923	0.4
66.04697	0.5
67.05480	0.4
69.03402	0.3
69.07054	0.6
69.82223	0.7
69.82645	0.3
70.55398	0.2
71.04986	0.2
79.05080	0.2
79.05499	1.1
81.07040	1.4
81.75983	0.2
83.04960	0.2
83.50275	0.2
86.09689	0.2
89.76295	0.2
91.05467	2.5
93.07019	0.7
93.85299	0.2
94.04168	3.5
95.04939	0.5
95.08622	0.9
97.02867	0.3
97.06529	0.2
97.10190	0.4
103.05436	0.8
105.06997	0.7
107.04910	0.8
107.08591	0.6
108.05776	0.2
109.06495	0.7
109.10130	0.5
111.04427	0.3
115.05455	0.4
117.06990	0.4
119.04943	1.1
119.08590	0.4
121.06498	0.3
121.10126	0.4
122.03629	7.7
123.04417	0.3
123.08054	0.3
123.11714	0.3
125.05996	0.3
125.09600	0.4
127.03949	0.2
128.06219	0.3
129.06984	0.5
131.04900	1.1
131.08548	0.7
133.10124	0.3
135.08006	0.3
136.05186	0.4
137.05959	100.0
137.35594	0.2
138.06314	0.8
139.03882	0.3
141.06989	0.3
141.09157	0.3
143.04849	0.2
143.08542	0.5
143.10732	0.3
144.05629	0.2
145.06482	0.6
145.10117	0.3
146.03636	0.3
147.04404	0.3
147.07993	0.2
147.11656	0.2
149.05956	0.7
149.09648	0.3
149.13275	0.2
151.03889	0.4
151.07529	6.5
153.05466	0.5
153.06960	0.4
155.08559	0.4
157.06450	0.3
158.07280	0.3
159.08067	0.8
160.05199	0.6
161.05931	1.4
161.09550	0.3
162.06786	0.2
163.07527	1.3
165.09079	1.6
167.10713	0.2
171.08136	0.2
173.08139	0.2
173.09627	0.4
174.06703	0.3
175.06038	0.3
175.07516	4.3
175.08975	0.3
177.05470	0.3
177.09076	1.6
179.07018	3.2
179.08514	0.3
181.06409	0.3
181.08560	0.3
183.08067	0.2
186.06757	0.2
187.07552	0.7
189.09102	0.9
189.10846	0.3
191.10649	1.0
193.06451	0.2
195.08069	0.4
199.07559	0.3
201.09146	1.1
203.08788	0.2
203.10646	0.4
205.06531	0.4
205.08609	0.3
205.12271	0.7
210.06792	0.5
211.07617	0.6
212.04834	0.2
213.08975	0.4
215.03346	0.3
215.10532	0.4
218.07222	0.3
219.08022	0.6
219.10191	0.6
222.06610	0.3
223.07547	0.3
224.08267	0.3
225.05571	0.3
225.09093	1.1
231.08063	0.3
233.11688	0.2
234.06766	0.3
235.07564	0.3
237.09070	0.7
238.06152	0.3
240.07706	0.9
241.10350	0.2
243.02847	0.6
243.08064	0.4
245.09680	0.4
247.07530	0.4
248.08173	0.2
249.09116	0.6
251.07045	0.3
253.04974	0.4
253.08633	0.7
257.09680	0.5
258.06808	0.3
258.10352	0.4
259.07480	0.3
259.09619	1.3
261.09195	0.6
262.06244	0.2
262.09833	0.2
263.07013	0.4
265.08530	1.1
267.10208	0.3
268.07224	2.8
269.07553	0.4
269.09790	0.6
271.07501	0.5
272.08319	0.4
273.09006	0.5
274.09738	0.2
275.10663	0.6
276.07748	0.3
277.08551	1.1
278.09311	0.4
279.10132	0.3
283.06494	0.3
283.09622	5.7
284.10416	0.5
285.08804	0.5
285.11288	0.8
286.09869	0.6
287.10577	0.4
288.07907	0.3
288.11337	0.2
289.08636	0.8
289.12149	0.4
290.09296	0.3
291.10168	0.8
292.10907	0.2
293.08038	0.3
293.11716	0.2
294.08752	0.2
295.09686	0.5
297.11572	2.0
299.07117	0.3
301.08527	1.0
301.12244	0.6
302.09415	0.6
303.10239	1.0
305.08127	0.3
305.11667	0.3
305.24646	0.4
306.08972	0.2
307.09540	0.9
308.10425	0.3
309.11292	0.9
314.09354	0.9
315.09772	0.5
316.10876	0.4
317.08337	0.3
317.11731	1.5
318.12302	0.2
319.09695	0.4
319.13303	0.4
320.10403	0.2
321.11273	1.1
322.12091	0.3
323.12820	0.6
329.11703	2.1
330.12610	0.3
331.09583	0.4
332.10291	0.3
333.11166	1.4
334.11777	0.2
335.12796	0.8
340.12918	0.5
341.13858	0.4
346.12204	0.6
347.12750	1.9
348.13568	0.6
349.14444	0.9
351.12146	0.5
351.15985	0.4
353.13864	0.5
361.14349	2.2
365.06497	0.3
365.13794	0.6
366.14410	0.2
367.15390	1.6
379.15393	3.9
383.14728	0.2
391.10129	0.2
393.14847	0.2
397.16232	0.7
399.12299	0.3
416.12976	0.3
421.14291	0.3
431.14731	0.9
438.14517	0.2
453.17154	1.0
470.17123	0.2
471.17935	0.6
473.19757	0.4
485.19519	4.0
491.20853	0.4
503.20609	9.3
504.21313	0.2
521.21667	9.6
522.21960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75797	1.5
53.03938	3.3
53.55974	1.1
55.01865	9.0
55.05504	25.4
56.32046	1.4
57.03430	3.6
57.07069	42.5
59.04988	2.0
65.03931	1.6
67.05159	2.4
67.05495	29.8
69.07058	20.8
69.32683	14.8
71.01398	1.4
71.04989	4.7
71.08625	31.7
79.05478	22.0
79.91356	1.5
80.90453	1.2
81.03410	14.1
81.07050	37.2
83.01335	4.8
83.04967	10.2
83.08610	25.1
85.02899	6.4
85.10166	20.5
88.92705	1.5
91.05476	12.5
93.07037	22.7
95.04955	6.8
95.08598	36.3
97.02874	3.3
97.06522	5.5
97.10168	11.0
99.04382	1.5
99.11711	2.0
105.07017	11.2
107.04948	7.4
107.08586	14.0
109.06494	6.2
109.10146	14.0
111.04454	3.2
111.08095	2.1
111.11736	4.2
117.07024	9.7
119.08563	10.2
121.06465	2.9
121.10110	10.6
123.04443	1.6
123.08060	4.4
123.11708	9.4
125.05999	2.0
129.07037	2.8
131.08543	4.7
133.10123	3.3
135.08078	2.2
135.11653	14.4
137.09700	1.5
137.13312	1.9
139.07529	1.5
140.06236	1.5
145.10088	10.9
153.12834	2.5
157.10126	2.0
163.11159	26.7
165.16539	1.9
173.09590	3.3
181.12212	4.2
191.10684	4.6
193.12241	6.6
196.66786	1.6
204.27013	1.7
209.11713	12.5
211.13281	4.3
227.12756	14.6
239.23618	8.0
263.39334	1.6
309.67862	1.4
313.27350	2.4
521.38336	100.0
522.38751	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	522.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	1.2
69.07052	1.0
79.05469	2.4
81.07049	2.4
85.02913	2.2
89.03899	4.8
91.05468	1.2
93.07045	1.8
95.04947	1.1
95.08599	2.4
97.02883	0.9
97.06480	1.0
98.21482	2.8
105.07055	1.6
107.04936	3.2
109.10155	1.3
117.03368	17.1
119.08580	1.5
123.11658	0.9
133.10100	1.2
134.03653	1.7
135.04401	1.3
135.11703	1.9
137.05981	4.0
138.06297	1.1
145.02831	42.4
149.05971	7.3
151.07497	1.2
165.09132	1.2
177.05450	100.0
186.05490	0.9
191.85750	1.0
193.15765	1.2
211.16992	4.2
229.90411	1.0
265.08716	1.3
307.09741	1.3
339.10617	2.2
361.14435	0.9
434.40167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60590	0.6
60.83786	0.7
67.05522	0.7
69.03410	1.8
69.28487	6.5
81.07066	0.8
83.08640	0.7
85.02879	2.8
85.46856	0.7
87.75311	0.7
91.05437	2.3
92.72295	0.7
93.07040	1.4
95.04935	1.2
95.08582	1.3
105.06961	0.9
107.04939	0.9
117.03343	2.6
119.04994	0.8
119.08590	0.8
121.06467	1.9
121.10199	0.7
122.03588	1.1
129.07002	1.2
131.04915	2.4
131.08549	0.9
133.10056	0.7
135.11684	0.6
137.05968	10.6
138.06648	2.3
139.43544	0.6
146.07281	0.7
147.04417	1.5
149.05980	1.3
149.09608	0.9
150.06738	1.5
151.07527	1.7
161.05974	13.4
161.09602	2.4
162.06732	3.3
163.07518	2.1
163.11203	0.7
165.07033	2.6
167.08575	1.6
174.06750	1.9
175.07549	1.7
177.06918	0.7
177.09074	3.5
178.07742	3.4
179.08517	1.4
179.89679	0.8
181.06447	1.6
182.07207	1.4
183.08038	0.9
187.07509	0.6
189.09039	4.6
191.08504	2.1
191.10455	1.0
192.09305	1.0
193.06465	2.1
193.10103	1.6
194.07240	1.9
195.08087	4.9
195.09712	0.8
197.05959	0.8
197.09567	1.0
203.06935	1.1
203.08580	1.9
205.06438	1.8
206.07245	3.2
206.09233	1.3
207.08047	2.3
207.10147	10.3
209.09628	2.4
209.11581	0.8
210.06714	1.6
211.07535	2.2
212.08142	0.7
219.08047	1.3
220.08839	3.6
221.05940	2.6
221.09605	4.9
222.06734	2.3
223.07550	6.3
224.08305	1.2
225.09123	4.5
227.10652	1.2
231.01585	0.7
231.08000	1.3
233.06013	0.9
234.06725	2.9
235.07600	3.4
237.05441	0.8
237.09103	4.3
238.06239	2.1
238.09840	4.2
239.07016	1.9
239.10611	1.4
240.07771	3.0
247.07538	0.8
248.08292	4.5
249.09125	3.1
250.06187	1.2
251.07063	4.0
252.07726	1.8
253.08516	7.3
253.12292	1.1
254.09279	1.4
255.06540	0.7
255.10199	2.5
263.10678	0.8
264.07950	1.0
265.08536	7.6
266.05966	1.3
266.09344	9.4
267.06473	1.3
267.10184	2.4
268.07269	3.4
268.10342	0.9
277.08578	2.0
278.09161	0.7
279.10147	1.5
280.10748	1.4
281.08051	6.7
281.11649	3.0
282.09186	0.7
282.12479	1.2
283.09683	7.2
283.12845	1.4
285.11142	1.5
286.11981	2.8
291.09985	1.3
293.11652	1.2
294.08755	2.0
295.09656	1.1
297.11267	2.7
298.11862	5.0
299.12759	2.3
309.11258	5.6
310.11951	12.9
311.12717	6.7
327.12256	51.3
328.12720	1.4
329.13800	3.7
330.14606	13.1
341.13718	3.6
342.14590	100.0
343.14813	2.9
344.11191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57242	0.9
53.03929	1.7
55.01860	1.9
56.97976	1.2
57.03428	5.3
60.02145	7.7
61.02633	1.1
61.02919	4.8
62.77893	0.9
64.15072	0.9
69.00217	1.0
69.03419	13.2
70.00150	5.7
71.01322	1.3
71.04970	1.3
73.02914	5.8
81.03419	3.5
85.02889	19.4
87.04456	3.0
91.05448	2.3
95.04974	2.0
95.08578	1.3
97.02896	8.1
101.77441	1.2
104.06272	1.0
105.07063	2.6
107.04929	1.5
107.08595	1.3
109.02863	2.7
119.08569	2.3
121.06448	1.7
127.03868	1.8
131.04900	2.9
133.04976	1.8
133.10126	3.3
135.04411	1.7
135.07996	1.3
135.11736	2.1
137.05959	23.0
145.06453	1.6
147.04402	2.0
149.05972	3.1
150.06740	2.4
151.03902	1.3
151.07503	2.7
161.06010	5.7
162.06732	3.2
163.07491	5.0
164.08336	1.6
165.07001	2.8
167.08525	1.6
174.06738	10.5
175.07573	2.9
175.14809	3.2
177.05513	1.1
178.07787	1.9
179.08406	1.4
181.06528	1.6
182.07220	1.2
183.08115	1.7
187.07642	1.5
191.08527	2.6
193.06505	3.0
193.10101	1.1
193.15994	1.6
194.07281	3.5
195.08090	3.2
203.08585	1.7
205.06468	2.0
205.10135	1.1
206.07243	2.0
207.08037	2.1
208.10895	2.9
209.09671	2.4
210.06764	3.0
211.07506	3.4
211.16844	1.4
219.08032	3.4
220.08763	2.4
221.05922	4.3
221.09584	4.3
222.06772	2.4
223.07506	4.9
224.08388	2.5
225.09045	6.2
233.09669	1.5
234.06786	2.3
235.07481	2.1
237.09122	5.2
238.06160	2.1
238.10057	1.5
239.07043	4.0
240.07686	1.6
243.10210	1.5
247.07549	1.9
248.08279	2.8
249.09152	4.7
250.06227	2.5
251.07045	3.9
251.10768	1.8
252.07813	1.6
253.08586	10.8
254.09377	2.1
255.06667	1.0
255.10124	2.9
261.09180	1.5
263.07037	1.7
263.10730	1.8
264.07767	1.8
265.08585	13.6
266.09308	5.3
267.06775	1.6
267.10184	6.4
268.07269	2.7
269.08032	1.4
269.11752	1.5
270.08875	1.4
271.09653	2.1
271.50748	1.0
277.08618	3.5
278.09198	1.6
279.10095	6.1
280.07523	1.2
280.11008	3.3
281.08090	7.7
281.11685	3.1
282.09055	2.5
283.09628	6.4
283.12872	2.1
285.11179	6.9
286.12000	9.5
291.10104	1.6
292.11105	1.3
293.11728	3.7
295.09659	3.7
295.12921	1.9
296.10397	2.2
297.11227	10.2
298.11957	20.8
299.12573	3.2
301.73312	1.1
309.11255	11.2
310.11987	3.8
311.12766	11.0
312.13370	1.9
323.12762	3.1
324.13611	2.6
325.14163	1.4
326.11310	1.5
326.15106	3.5
327.12234	31.2
329.13770	7.3
330.14572	76.6
331.14822	2.0
341.13794	91.9
342.14575	100.0
343.15240	2.3
353.13800	3.8
355.11566	2.0
358.14230	1.8
370.14151	2.2
384.15717	2.2
421.14847	1.1
445.98218	1.1
492.19830	25.6
504.19818	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	522.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43216	0.7
51.99056	0.8
55.05507	12.7
57.03432	7.1
57.07063	2.0
65.03923	0.9
67.05496	26.7
69.06716	1.3
69.07059	15.3
69.56278	3.9
69.56705	2.3
70.07436	1.0
71.04973	0.9
71.53380	0.8
75.55938	0.9
79.05476	7.2
81.06577	1.2
81.07049	25.2
82.07391	0.9
83.04951	1.1
83.08611	8.4
83.19473	0.8
86.09698	1.6
86.12638	0.9
88.03975	7.0
91.05459	5.2
93.07026	6.1
94.05648	0.8
95.04951	1.2
95.08050	1.4
95.08598	19.9
97.06514	2.0
97.10162	3.3
98.98448	5.9
105.06999	4.3
106.04970	0.8
107.08560	3.9
109.10132	8.6
119.08555	3.1
121.10115	4.4
123.11678	3.5
124.99904	1.2
125.09667	1.1
133.10110	3.1
135.11684	2.1
147.11572	1.1
149.13255	1.5
173.02014	1.1
176.71155	0.9
184.07341	3.7
185.07753	1.1
186.07785	1.2
237.07666	0.8
271.14478	0.9
310.82361	0.8
337.27316	100.0
338.27661	3.5
350.26831	2.0
546.15564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28275	0.7
54.44190	0.9
55.05503	13.6
56.05038	1.3
57.03426	7.4
57.07058	2.2
58.06607	1.6
60.08155	17.5
61.08484	3.4
63.81536	0.8
65.03933	2.5
67.05493	30.1
68.05811	1.1
69.07058	17.5
70.06577	1.0
70.07377	0.9
70.81992	2.0
70.82317	1.2
71.07353	8.4
72.07697	1.0
79.01358	0.8
79.05485	9.2
80.05820	1.0
81.07044	29.0
82.07378	1.0
83.08612	9.0
86.09692	54.2
87.10020	17.5
88.03981	5.0
88.10378	1.2
91.05450	6.4
93.07028	8.6
95.04957	1.1
95.08592	21.6
96.08920	1.2
97.06524	1.7
97.10146	4.4
98.20783	0.9
98.98450	9.8
104.10727	96.8
105.07031	3.7
105.10435	1.4
105.11060	31.6
106.05015	1.1
106.11162	4.7
107.08566	4.6
109.10142	5.8
111.11755	0.8
119.08567	3.9
121.10117	3.6
123.11684	3.3
124.99986	30.1
126.00328	4.3
127.00385	6.6
133.10126	3.4
135.11687	1.7
147.11674	1.6
149.13243	1.2
161.61322	0.9
173.02051	1.2
175.14793	1.2
184.07309	76.1
185.07668	29.8
186.07744	21.0
245.22716	1.2
263.23712	1.7
337.27310	100.0
338.27615	4.8
350.26965	1.6
465.08392	1.0
504.33530	11.3
522.34558	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	522.3548
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	2.5
56.05022	1.0
57.03431	0.8
57.07052	1.1
58.06593	1.3
60.05661	0.4
60.08154	18.6
67.05505	2.0
69.07051	2.5
71.07365	7.2
71.08630	0.4
79.05476	0.8
81.07045	1.7
83.08625	1.6
86.09692	48.6
91.05484	0.5
93.07022	1.1
95.08598	1.5
97.10189	0.5
98.20737	1.0
98.98444	3.4
104.10726	95.4
105.11055	0.6
107.08589	0.4
109.10170	0.5
115.22014	0.3
116.99572	0.3
118.53119	0.3
121.10108	0.5
124.99982	28.9
132.98039	0.4
135.11638	0.5
137.13353	0.4
163.01460	0.4
172.95126	0.5
184.07314	100.0
185.07684	0.9
209.11703	0.5
210.12056	0.5
258.10907	1.2
263.60727	0.4
339.28906	1.4
398.54224	0.3
460.72562	0.3
504.34381	9.1
513.92926	0.4
522.35419	24.5
523.35699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05024	0.6
57.03425	0.4
57.07069	0.3
58.06599	0.3
60.07862	0.3
60.08158	5.9
64.57634	0.2
67.05491	0.4
67.80965	0.2
69.07056	0.5
71.07364	2.9
71.49039	0.3
79.05477	0.3
81.07026	0.4
83.08595	0.3
86.09693	30.1
87.10023	0.2
93.07034	0.2
95.08605	0.4
98.98455	3.0
99.08481	0.2
104.10106	0.3
104.10732	3.1
105.06963	0.2
106.06602	0.2
121.10144	0.2
124.99987	21.9
142.11171	0.2
143.01012	0.2
184.07314	100.0
185.07588	0.5
211.13161	0.2
258.10992	0.2
335.45468	0.2
411.36179	0.2
468.57831	0.2
474.23517	0.2
504.34473	1.0
522.35101	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.7
57.07063	3.7
58.03984	1.7
59.04984	9.8
65.92829	2.0
67.05486	14.9
69.03414	2.4
69.07050	8.8
69.32029	2.0
71.04986	2.3
79.05473	4.0
81.07049	25.4
83.05012	2.4
83.08610	5.1
83.75580	2.3
85.06549	3.3
91.05470	4.8
93.07019	13.4
95.08584	27.2
97.06507	3.6
97.10177	2.0
104.10709	2.3
105.07037	4.7
107.08583	13.7
109.06502	3.3
109.10157	20.9
119.08567	8.8
121.10134	7.6
123.08084	4.6
123.11688	9.5
125.09620	2.8
131.08577	2.7
133.10118	5.3
135.08020	2.5
135.11691	4.3
137.05977	6.4
137.09595	4.7
141.05434	6.0
147.11690	4.4
147.71011	1.8
149.05972	6.2
149.13237	5.4
151.07529	17.9
151.11163	7.9
153.05418	2.3
159.11697	5.7
165.05492	6.6
165.09084	4.3
167.07016	100.0
173.09766	2.0
177.09128	2.6
179.06973	3.7
181.08569	5.6
184.07312	3.0
189.09111	6.1
191.06981	4.9
193.08586	2.4
203.10616	3.1
203.17993	3.5
205.08580	7.9
205.12192	3.9
207.10106	7.7
215.10765	3.1
219.10265	3.5
221.11705	3.4
229.63887	2.6
233.11835	3.8
293.24875	2.7
357.24255	3.7
375.25357	16.8
393.03683	2.3
399.29276	2.4
406.78046	2.5
423.28891	12.2
441.29922	55.9
459.31091	31.4
477.31775	5.3
513.61761	2.2
522.37958	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	523.2163
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	2.4
55.01859	4.0
57.03440	4.8
69.03419	16.4
69.96334	11.3
71.04999	3.9
73.02910	2.6
78.32970	2.3
79.05486	9.2
81.03403	15.9
85.02886	16.1
91.05460	12.3
95.04965	8.2
97.02863	5.8
98.20813	3.0
103.03947	3.0
103.05434	12.0
105.07025	6.5
107.04939	10.2
109.02927	5.0
115.05457	4.6
117.07016	5.2
118.68327	2.2
119.04935	13.3
119.08558	3.8
121.06491	5.3
122.03610	3.4
127.03898	8.0
129.06972	6.2
131.04930	16.1
133.06467	8.6
135.04440	3.5
135.08061	3.3
137.05965	100.0
141.07014	3.5
143.04922	3.1
145.06493	8.0
147.04411	24.9
147.08031	5.3
149.05963	8.9
150.88734	2.3
151.07521	48.3
153.06995	2.8
157.06511	6.8
159.08029	2.8
160.05145	4.0
161.05956	14.9
161.09558	4.7
163.07504	18.2
165.09135	5.9
167.07031	8.9
169.06500	5.2
171.08014	4.1
174.06772	4.7
175.07526	18.3
177.05457	9.2
177.09111	9.5
179.07037	29.4
179.10587	4.2
187.07532	7.2
189.09082	16.1
191.06949	12.5
193.08623	3.2
195.08263	2.0
195.10214	4.8
197.06026	3.4
199.07533	3.2
201.09134	7.1
203.07057	6.6
203.10690	2.9
205.08423	2.2
207.10168	12.8
211.40356	2.4
215.06950	4.6
217.08589	4.2
219.10188	3.8
221.08189	2.9
225.11177	4.8
227.07106	2.3
229.08421	5.0
231.10121	5.4
239.11717	2.7
249.11182	4.7
267.11111	3.8
273.11169	9.4
275.12769	3.3
291.12225	11.9
297.11462	2.5
301.11612	2.9
313.11816	9.3
341.11356	2.9
343.15179	4.8
373.14008	7.7
445.16104	5.4
446.54355	2.3
455.14142	3.1
463.17026	2.5
473.15488	11.6
491.16528	6.6
505.17911	11.7
523.19360	13.6
529.00146	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	523.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01862	1.6
55.64479	1.2
65.03918	1.4
67.05500	1.6
67.49677	1.5
69.03403	3.7
70.06600	1.3
71.53065	2.2
79.05471	2.5
81.03404	4.2
81.07017	1.5
84.04491	4.1
85.02904	4.5
91.05483	7.4
93.07015	2.9
94.04177	1.9
95.04944	4.6
95.08599	1.8
97.02882	1.3
103.05453	38.4
105.07019	2.5
107.04947	15.6
107.08617	1.6
109.02840	2.0
109.06505	1.7
110.23597	1.3
111.04411	1.4
115.05439	4.0
117.07028	3.5
119.04916	7.8
119.08555	1.7
121.06499	4.3
122.03635	4.2
127.03918	4.1
128.06143	2.7
131.04913	53.3
131.08571	2.1
133.06487	4.2
135.04416	2.1
135.08055	5.1
137.05960	63.5
139.03918	2.1
145.06462	2.9
147.04393	13.6
147.08057	2.1
149.05988	4.5
149.88924	1.2
151.07530	22.1
160.05232	1.6
161.05974	11.1
161.09546	1.9
163.07524	100.0
164.08223	4.5
167.07045	2.0
171.07993	1.5
174.06708	1.4
175.07532	14.1
175.38463	1.4
177.05693	2.4
177.09091	43.6
179.07022	9.3
181.08603	6.7
183.08058	1.5
187.07529	2.1
189.09084	4.3
191.07033	3.7
195.08206	1.2
195.10133	4.7
201.09132	1.7
203.06999	6.8
203.10674	5.7
207.10150	4.5
209.08038	2.1
217.08537	2.7
219.10078	2.0
221.08052	4.6
221.11705	8.9
224.25626	1.4
225.11095	1.7
249.11256	1.9
273.11288	2.5
275.12946	1.4
297.46802	1.4
299.12613	2.2
361.13788	2.5
422.82755	1.2
473.15356	4.6
491.16492	2.4
504.62094	1.4
505.17892	3.6
524.17450	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	523.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70683	10.5
55.05503	16.6
55.58071	8.5
61.20586	11.0
62.33910	9.2
67.05492	60.2
67.54613	10.1
69.03419	18.1
69.07054	18.4
71.54620	14.4
71.77402	9.8
79.05476	44.9
81.07051	87.7
91.05476	69.8
93.07021	91.8
95.04955	17.8
95.08579	80.3
97.06526	13.6
100.97795	10.9
105.07020	82.5
107.08578	82.8
109.02888	15.1
109.06496	19.5
109.10156	37.4
117.06999	32.5
119.08570	99.5
121.06509	13.6
121.10123	93.5
123.08057	12.7
123.11697	37.4
128.06158	15.0
129.06978	37.2
131.08560	65.1
133.10136	90.8
135.08029	18.0
135.11676	22.7
137.05943	69.1
139.07521	14.2
141.06935	21.9
142.07800	20.5
143.08542	80.9
144.09306	15.5
145.06491	19.5
145.10071	100.0
147.08066	26.4
147.11670	63.2
149.09621	13.2
149.13286	10.4
149.27527	11.8
155.08571	34.6
156.09341	24.9
157.10098	83.7
159.08034	29.3
159.11688	61.9
161.09608	19.4
161.13258	24.3
163.07513	12.6
165.06923	12.3
167.08551	18.1
168.09343	12.6
169.10136	25.9
170.10913	24.1
171.08070	42.1
171.11668	62.4
173.09648	39.0
173.13231	49.2
175.11111	15.5
179.08575	16.3
181.10097	23.7
183.08122	14.2
183.11664	40.0
185.09630	18.4
185.13260	65.0
187.11234	27.9
187.14813	32.8
195.11679	29.4
197.13232	35.2
198.10391	11.4
199.11238	22.9
199.14687	17.2
201.12755	17.8
207.11606	18.1
209.13249	28.6
211.11247	19.3
211.14833	23.1
213.12750	76.1
215.14307	32.4
217.12277	26.9
221.13286	13.7
223.14774	18.0
225.12770	17.4
225.16243	10.7
227.14375	47.5
229.12210	23.0
231.13753	63.9
237.12805	11.6
237.16351	21.1
239.14258	11.0
243.13782	15.3
245.15332	24.2
247.14761	19.0
251.14412	13.0
257.15344	12.2
279.21130	19.7
289.19760	14.3
307.20453	29.5
325.21555	32.2
335.23798	18.7
353.24680	25.3
417.27838	37.6
427.26248	34.5
445.27374	81.3
463.28250	25.9
477.29837	31.1
505.29434	23.2
523.30371	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73333	2.7
53.03922	6.0
54.70435	3.3
55.01854	8.1
55.05503	80.3
57.03436	18.8
57.07063	12.6
63.64902	2.7
65.03929	3.1
67.05497	89.2
69.03392	7.6
69.07059	28.5
71.08614	8.8
71.53611	2.6
71.54021	3.7
72.52914	3.0
76.71288	2.6
79.05481	66.3
79.14464	3.1
81.03403	21.0
81.06573	7.0
81.07042	100.0
82.07347	2.9
83.04957	8.4
83.08607	52.0
85.06532	6.4
85.10125	4.9
86.00203	2.8
91.05470	25.8
93.07027	62.1
95.04961	8.8
95.08598	62.0
95.41077	3.2
97.10162	89.7
105.07018	27.1
107.08591	54.1
109.10149	33.7
111.08068	8.1
117.06989	11.4
119.08573	16.9
121.10104	23.4
123.11673	12.0
125.08738	5.1
125.09608	62.8
129.06992	4.5
131.08589	14.4
131.47319	3.3
133.10104	13.7
135.08035	8.6
135.11674	28.2
137.09561	4.1
137.13249	6.0
145.10077	12.7
147.11659	12.3
149.13205	12.1
153.09088	4.1
157.10139	4.3
159.11659	13.2
161.13235	6.8
163.14790	7.2
171.10133	4.6
173.13266	9.4
175.14812	3.6
183.92419	3.0
184.07214	4.3
187.14732	3.9
189.11201	69.8
193.12247	11.3
227.12759	71.0
243.21085	18.1
245.13806	88.2
261.22061	69.2
267.15903	22.4
279.23209	10.1
313.27335	19.3
317.24713	16.6
331.17700	3.1
335.25800	60.2
353.26651	3.7
372.90356	3.7
395.29428	4.2
413.31052	3.5
487.34082	6.3
505.34375	27.8
523.38104	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	523.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
54.13321	2.5
55.01866	5.5
55.05503	77.5
57.03428	18.6
57.07066	13.9
65.03932	4.0
67.05495	86.3
69.03421	7.0
69.07059	20.8
71.04993	3.6
71.08613	8.5
76.15267	2.2
79.05484	58.0
81.03410	6.9
81.07045	100.0
82.97119	2.3
83.04965	8.1
83.08611	49.8
85.06546	4.0
85.10168	5.8
88.64071	2.2
91.04930	3.9
91.05464	28.1
93.07036	57.0
95.04940	9.1
95.08597	66.9
97.06502	3.7
97.10160	85.9
105.07022	19.5
107.05011	2.6
107.08582	52.6
109.06527	6.2
109.10142	36.3
117.07015	10.7
119.08559	17.1
121.10130	25.9
123.11675	11.7
125.09610	74.9
131.08563	13.2
133.10109	16.9
135.08041	8.8
135.11655	21.1
137.13226	6.3
143.10696	4.0
145.10089	10.5
147.11684	11.5
149.09615	3.3
149.13258	14.8
151.14908	2.7
153.09039	4.2
159.11662	11.3
161.13223	8.3
163.14833	6.7
171.10146	4.8
173.13300	11.9
175.14755	2.7
182.29817	2.3
187.14775	6.2
189.11195	72.2
193.12263	7.0
211.13303	4.4
227.12741	68.5
239.23544	2.7
243.21010	13.6
245.13817	95.8
261.22104	59.5
261.24780	3.8
261.46881	2.2
267.16058	5.9
279.23166	6.0
313.27515	5.9
317.24692	13.4
335.25766	58.2
413.30505	5.5
431.31418	7.5
487.34433	12.4
505.34613	19.7
523.39136	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.1
57.03419	18.3
57.07072	68.7
67.05497	35.9
69.03403	9.1
69.07059	12.2
69.47571	17.5
69.47998	18.8
71.08630	37.1
79.05482	18.5
81.03408	100.0
81.07043	39.7
83.04977	10.0
83.08603	27.8
85.02879	5.9
85.10171	22.2
85.88530	4.5
86.09694	18.1
91.05468	28.4
93.07021	15.6
95.04965	27.8
95.08578	28.3
97.10159	7.1
103.55332	3.9
103.69814	4.2
104.10735	33.3
105.07011	18.5
107.04955	5.7
109.10141	18.9
111.08007	10.7
119.08543	12.9
121.10107	6.6
123.04424	4.8
123.11669	5.6
124.99950	5.8
129.06989	12.7
131.08546	8.7
149.09572	6.9
157.10168	10.9
171.05331	4.8
175.11211	10.4
181.56776	5.2
184.07285	30.5
193.12222	66.3
211.13275	15.9
216.24182	4.2
239.23674	10.9
249.14806	5.4
267.15875	85.9
313.27341	77.0
337.04794	5.0
366.82297	5.3
391.69513	4.4
505.38724	42.2
523.39935	33.0
524.36969	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01842	2.7
55.05263	0.9
55.05505	15.4
57.03426	6.3
57.07068	38.4
65.03924	1.7
67.05168	1.7
67.05495	27.3
69.03413	2.3
69.07058	12.6
71.04971	3.5
71.08621	29.8
79.05482	17.1
81.03405	36.4
81.07044	34.1
83.04964	8.1
83.08609	25.7
83.25083	0.8
85.02888	17.8
85.06505	1.1
85.10162	13.4
91.04948	1.7
91.05473	22.4
93.07027	12.2
95.04963	16.1
95.08596	33.3
97.02908	1.2
97.06520	3.0
97.10167	8.0
99.11706	1.3
105.07014	13.3
107.04922	3.8
107.08566	5.4
109.06525	3.5
109.10140	12.6
111.04388	1.2
111.08068	7.7
113.05966	1.3
117.06989	0.9
119.08564	13.8
121.06476	1.2
121.10090	6.3
123.08043	1.2
123.11684	4.2
123.15974	0.9
129.07010	5.5
131.08548	7.7
133.06488	1.9
133.10130	6.9
134.83589	1.1
135.08093	1.1
137.13240	1.9
142.07774	1.2
145.10100	1.5
147.08023	1.5
147.11681	8.5
149.09599	4.1
151.14780	1.4
151.16954	0.8
157.10091	8.9
163.11124	1.0
165.12714	1.7
175.11168	9.5
178.51021	0.9
193.12212	47.8
210.05383	1.0
210.97614	0.9
211.13258	43.5
213.59100	0.9
239.23663	8.2
267.15823	7.9
285.16431	1.1
293.71844	1.0
313.27310	7.6
318.18573	1.1
498.61145	0.9
505.38708	3.0
523.39880	100.0
524.40527	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	17.9
57.03430	21.6
57.07074	63.3
67.05499	41.1
69.07051	20.5
69.29176	64.6
71.08623	49.8
79.05488	19.0
81.03406	100.0
81.07061	47.6
83.08611	37.3
85.02911	7.4
85.10181	18.8
91.05470	20.2
93.07027	10.1
95.04953	32.6
95.08590	41.3
97.10159	10.9
97.58491	6.4
105.07017	20.6
109.06535	8.2
109.10160	10.8
111.08064	16.8
119.08572	16.1
120.29066	6.2
121.10186	8.7
129.06966	14.4
131.08574	13.3
142.07845	6.5
147.11681	14.2
156.70695	6.4
168.10956	8.0
175.11154	17.3
193.12186	62.8
211.13280	18.2
239.23631	7.6
267.15936	88.7
313.27338	97.5
316.38409	6.9
443.56326	7.2
505.38998	61.9
523.39764	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01859	2.0
55.05503	14.8
57.03422	6.4
57.07071	39.8
63.33766	1.1
67.05500	28.5
69.03425	2.3
69.07050	11.0
69.23924	3.9
69.24342	9.6
71.04989	2.8
71.08224	1.8
71.08619	26.1
79.05482	14.0
81.03410	36.9
81.07048	32.5
83.04961	6.9
83.08611	21.2
85.02895	22.3
85.06532	1.6
85.10183	14.6
91.05474	17.0
93.07047	8.1
95.04960	15.3
95.08594	29.4
97.02875	1.7
97.06530	2.7
97.10159	7.8
98.21560	2.3
105.07018	13.3
107.04959	4.3
107.08601	5.2
109.06514	2.7
109.10148	11.7
111.04420	1.6
111.08079	6.8
111.11768	1.7
113.05985	1.9
119.08569	11.3
121.10126	5.4
122.22398	1.1
123.08099	1.4
123.11718	5.8
129.06987	5.2
131.08597	6.8
133.06407	1.6
133.10118	4.1
137.13269	1.9
147.08076	1.4
147.11676	9.0
149.09567	3.1
157.10072	6.8
159.04044	1.4
165.12723	1.5
175.11133	8.1
193.10625	1.0
193.12219	36.6
211.13281	41.3
211.15259	2.6
239.23601	6.2
267.15912	5.4
313.27405	4.8
349.24545	1.3
416.89511	1.3
505.38983	2.4
523.39911	100.0
524.40472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01865	1.4
55.05257	1.2
55.05505	16.5
57.03428	6.5
57.07068	39.5
65.03930	1.9
66.10561	0.7
67.05496	30.2
69.03416	1.5
69.07060	11.6
70.07832	0.8
71.04998	3.7
71.08622	32.5
71.28004	1.4
71.28338	1.0
79.02151	0.7
79.05479	16.3
81.03408	39.0
81.07047	39.5
83.04980	7.7
83.08125	1.6
83.08610	29.5
85.02892	23.1
85.06503	1.6
85.10172	14.8
91.05468	19.9
93.07028	10.8
94.53813	0.8
95.04957	17.9
95.08594	32.4
97.02866	2.3
97.06528	2.1
97.10162	9.3
99.08081	1.8
105.07021	14.5
107.04944	2.7
107.08575	5.2
109.06509	2.7
109.10135	13.9
111.04462	1.4
111.08067	7.6
111.11739	1.0
113.06004	1.4
115.05418	0.9
119.08567	12.2
121.06505	1.6
121.10126	6.5
123.08059	2.1
123.11687	5.7
125.09605	0.8
129.07005	7.3
131.08556	7.6
133.06462	1.5
133.10094	6.3
137.09599	1.1
137.13223	3.5
142.07793	1.2
147.08020	2.0
147.11676	11.1
149.09612	3.2
157.10088	7.5
165.12776	2.5
175.11189	10.6
176.99774	0.7
193.12216	44.0
195.09320	0.7
205.80310	0.9
211.13268	50.4
221.22661	1.6
239.23656	9.1
246.42282	0.8
249.14792	0.8
267.15863	5.3
285.16885	1.7
313.27301	5.7
422.71399	0.8
505.38919	3.1
523.39886	100.0
524.40277	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	524.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.4
55.05495	7.4
57.01990	1.8
57.03419	5.6
61.02929	11.5
66.55251	2.0
68.99782	3.0
69.03426	10.0
69.07050	5.9
70.06570	3.6
71.54401	3.3
73.02892	8.6
81.03387	3.8
81.07026	5.9
83.08604	5.6
84.08136	2.8
85.02898	24.9
85.06527	2.5
91.03941	4.6
93.07004	7.3
95.08604	12.3
96.08125	4.0
97.02872	10.1
98.09704	11.2
99.04415	2.6
100.07639	2.8
100.11243	14.7
107.08595	17.7
109.02880	4.9
109.10081	2.5
110.05997	2.3
111.04405	5.7
113.86176	2.0
114.09093	4.4
115.03928	4.8
121.02869	2.2
121.10130	30.5
121.62749	2.2
127.03910	10.0
128.07054	4.4
128.10683	4.6
133.04907	4.6
135.11659	7.7
137.02330	100.0
137.03366	6.6
137.13229	5.6
140.10658	2.2
142.08629	2.1
142.12250	3.1
145.04945	9.6
153.01816	8.2
153.23990	1.9
154.12160	3.6
156.04430	2.2
163.03830	2.6
164.07133	2.9
165.01802	3.4
177.16371	53.6
179.03325	4.3
182.15407	8.3
187.03833	1.9
191.03381	2.8
194.04524	2.7
195.17368	12.5
196.13358	2.6
197.05946	2.4
206.15436	2.0
207.02818	2.7
208.05975	4.9
209.04413	6.7
209.16354	2.4
210.14796	10.3
213.16083	3.2
217.04900	3.1
227.17523	6.5
229.05035	3.3
241.18851	2.5
245.04306	3.3
253.05124	3.4
257.04715	2.6
271.06015	4.3
273.03851	7.8
275.05469	3.6
285.03827	2.9
298.06961	2.6
299.05417	9.7
301.03204	6.9
303.04965	26.7
316.08185	11.9
317.06290	3.7
319.04431	15.0
326.06482	6.4
327.04898	49.7
337.21399	2.8
344.07608	74.0
345.05920	38.5
354.23782	10.9
362.08575	34.7
449.31168	4.5
450.31314	2.9
451.32599	6.0
461.67230	2.1
518.16284	2.2
524.34338	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	524.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
57.03431	0.6
61.02908	1.6
69.03424	2.4
69.52359	0.9
69.52760	3.1
71.04989	0.6
73.02922	0.6
79.05479	1.4
81.03392	1.3
81.07026	0.9
85.02898	12.9
91.03925	0.8
91.05486	1.6
94.04170	1.3
94.28171	0.5
97.02892	3.6
98.21455	1.0
99.04420	0.5
101.51508	0.5
102.87787	0.5
103.05453	7.3
104.83335	0.5
105.07027	3.3
107.04951	0.8
109.02866	1.1
109.06532	1.3
117.06998	0.9
121.06515	3.1
122.03645	5.0
123.07998	0.8
126.92427	0.4
127.03923	1.8
128.06229	0.6
131.04915	9.7
133.06482	23.2
134.86940	0.5
135.08028	5.6
137.05962	100.0
138.06311	1.3
139.17377	0.5
141.19597	0.5
143.08498	0.7
145.04941	2.2
145.06459	2.8
147.08018	1.8
149.05978	1.8
151.07518	6.1
157.06494	1.6
161.05939	0.7
163.07527	43.1
165.09111	1.6
171.08131	1.0
175.07509	1.5
177.09079	1.1
180.08641	1.2
187.07564	0.7
189.09048	2.8
203.10599	2.7
235.11211	1.1
263.10614	2.1
267.13766	0.5
295.13257	20.4
327.15872	30.8
328.16055	0.7
345.16925	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	524.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99854	0.6
55.05513	1.3
56.05027	1.5
57.03429	0.7
57.07065	4.3
58.06593	1.4
60.08152	15.9
64.45544	0.6
67.05492	2.5
71.07362	5.8
71.08626	3.2
81.03412	1.9
81.07056	2.2
82.82619	0.6
83.08611	1.2
85.10165	0.9
86.09692	49.7
92.95202	0.7
95.04984	0.7
95.08588	2.1
98.98454	3.6
104.10728	97.6
109.10095	0.7
118.87157	0.7
119.08562	0.8
124.99985	28.5
127.60265	0.6
163.01569	0.9
184.07314	100.0
185.07710	0.6
187.50923	0.7
193.12300	0.9
201.32050	0.6
313.27371	0.8
340.25256	0.6
341.30371	1.3
398.22476	0.6
501.57944	0.7
506.35889	7.5
524.36920	29.9
525.37164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05492	5.1
57.04253	1.6
57.07056	2.2
67.01875	1.7
67.05494	9.8
69.07050	6.8
71.04989	6.9
79.05463	4.5
81.07047	26.2
83.08601	4.6
84.04321	1.2
89.76797	1.3
91.05468	4.6
93.07025	13.8
95.04937	2.8
95.08593	21.1
97.10140	2.5
98.20728	3.9
105.06973	3.3
107.08566	8.0
109.10146	15.9
112.89040	1.3
119.08575	3.4
121.06496	1.6
121.10120	7.3
123.08059	2.0
123.11694	10.4
127.11220	1.5
131.08600	2.1
133.10124	2.6
135.11696	8.2
137.05948	5.5
137.13243	5.1
139.03842	1.5
141.05426	7.8
145.10049	2.0
147.11646	2.5
149.05972	3.0
149.13226	6.1
151.07503	14.5
151.14828	1.6
153.12679	1.8
157.10097	1.8
161.06023	1.7
161.09654	1.7
161.13239	1.3
163.14780	1.7
165.05457	6.0
165.09052	2.1
167.07016	100.0
173.09598	1.3
175.07536	3.9
175.14801	1.3
177.09125	3.0
177.16365	1.8
179.10674	1.6
181.08583	2.7
187.11140	1.6
189.09056	6.0
189.16415	1.3
191.06993	4.1
191.10727	1.6
191.17932	1.9
193.08557	2.9
198.99341	1.4
201.09045	3.1
203.10614	2.1
205.08606	7.8
205.12099	1.5
207.10098	8.3
215.10602	3.2
217.12158	1.5
219.10130	2.9
221.11621	2.9
229.12248	3.0
229.46899	1.5
233.11667	3.6
247.13268	2.2
289.25281	1.7
357.24237	8.0
373.27295	2.3
375.25266	20.6
389.26804	2.7
395.70294	1.5
407.29303	2.1
425.30524	22.1
443.31494	72.5
444.31744	1.6
461.32489	8.6
524.39282	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	525.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01867	4.3
55.05503	4.2
56.96555	5.9
58.07645	2.2
65.03943	3.4
67.05501	3.5
69.03413	6.6
71.52436	3.9
73.90536	2.5
83.04980	19.0
85.02891	5.4
89.03917	8.9
93.03408	4.7
95.01319	10.1
95.04958	9.6
97.02883	8.7
98.97576	2.8
103.05457	24.3
111.04436	14.1
115.05421	7.5
117.03390	9.7
117.06972	2.9
121.02821	11.5
122.06014	5.1
123.04403	3.1
125.05901	2.3
129.05444	3.3
131.04916	44.8
135.04404	12.7
137.05975	18.6
139.03899	11.9
143.04900	9.1
145.02846	15.7
145.06480	4.2
146.03584	3.3
147.04407	7.1
149.05978	2.9
151.03944	6.1
153.06995	11.3
155.08549	3.3
157.04898	7.7
159.04404	18.5
160.05176	4.7
161.06020	7.3
163.03891	50.8
163.05252	4.9
163.07515	17.3
165.06952	17.8
167.04817	2.7
169.06371	3.1
171.04419	10.1
174.03128	6.0
175.03889	6.7
175.07512	13.4
176.04628	4.1
177.05470	32.5
177.06911	4.4
179.03371	39.6
181.06454	27.1
183.08096	3.3
187.07539	6.6
188.04654	6.1
189.05450	100.0
191.04987	7.0
191.07036	23.9
193.06483	6.4
195.04478	3.1
196.05182	3.8
197.05914	3.8
198.06746	6.4
199.04054	3.2
201.05403	4.4
203.06996	30.0
208.05115	3.5
209.05986	10.1
210.06691	10.1
211.07512	10.3
212.04691	4.6
213.09081	6.7
215.07120	2.6
219.01622	3.0
219.06503	32.4
221.06152	2.6
223.07567	2.8
225.09047	13.6
225.49600	2.6
226.06223	9.2
227.07011	15.3
229.04939	10.2
229.08562	4.7
231.06512	21.2
233.07994	3.1
236.04713	6.7
237.03053	2.7
237.05440	10.3
238.06210	6.1
241.08533	30.8
243.06355	3.6
243.09985	3.8
245.08105	6.7
247.03934	4.1
249.07585	6.1
251.07016	11.0
253.08591	28.7
254.05753	7.4
255.01799	3.3
255.06500	5.8
264.04156	2.8
265.04932	18.7
269.08057	43.6
273.02679	4.8
273.07602	2.5
279.06464	21.2
282.05206	3.4
287.09091	19.6
297.07532	83.6
305.10199	7.4
315.08551	48.6
333.09641	65.8
351.10590	9.6
453.07050	3.1
489.13782	3.2
507.14825	8.1
509.06839	2.5
525.15948	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	525.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
55.05503	2.3
67.05500	11.5
67.79422	1.4
69.03451	3.2
69.07084	1.6
70.06589	1.9
71.04974	2.1
71.56145	1.8
71.56532	1.9
79.05490	3.3
81.03423	1.9
81.07061	12.6
83.07051	1.5
85.02900	12.8
86.09712	1.5
91.05474	3.6
92.09282	1.7
93.07041	5.6
95.04974	2.1
95.08594	5.9
97.02888	4.4
98.60580	1.5
99.04446	2.0
99.08072	2.2
107.08612	2.0
109.10148	52.1
119.04899	2.0
119.08569	2.2
121.10172	2.8
125.05959	7.3
127.03908	1.8
135.57167	1.5
137.05968	4.7
137.09605	72.1
145.04961	5.5
147.04402	4.0
155.10649	31.7
163.03893	5.3
163.06104	2.4
165.09102	45.2
183.10167	20.8
184.11406	1.6
201.11195	100.0
219.12178	4.2
319.04483	2.3
393.01077	1.8
447.16843	2.2
525.19958	2.0
537.83307	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	525.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85960	0.7
53.03921	1.3
55.01851	2.4
55.05504	13.2
56.81385	0.8
57.03413	2.8
57.07059	1.6
57.33175	0.8
57.36514	0.8
59.04977	0.9
60.28631	0.8
65.03917	1.5
67.05498	24.7
69.07056	10.3
69.45374	7.8
71.04979	1.6
75.04506	0.9
79.05480	19.3
81.03402	1.5
81.07046	22.2
83.04960	2.6
83.08610	7.3
85.06535	1.9
91.04948	1.7
91.05473	19.5
93.07028	14.3
95.04947	3.2
95.08597	16.2
97.06519	3.4
97.10142	3.4
99.38081	0.8
105.07020	16.4
107.04961	1.3
107.08583	7.6
109.06516	1.8
109.10133	6.3
111.08033	1.3
115.05447	1.6
117.07003	9.1
119.08559	12.3
121.10142	5.2
123.08076	2.1
123.11732	1.2
125.09586	2.6
128.06187	5.0
129.06996	18.3
130.07797	1.2
131.08545	15.4
133.10109	8.5
135.08038	1.1
135.11646	2.4
138.71515	0.9
141.06976	8.5
142.07767	4.9
143.08542	18.1
144.09351	0.9
145.06429	1.3
145.10097	12.3
147.08043	1.1
147.11667	4.4
149.09612	1.3
149.13196	1.4
152.06168	0.8
153.06985	2.5
154.07755	2.6
155.08527	20.6
156.09329	2.2
157.10109	18.1
159.08017	2.4
159.11681	6.2
161.13245	1.0
163.11137	1.2
165.07008	2.5
166.07768	1.8
167.08549	10.3
168.09332	3.9
169.10103	22.9
170.10753	1.5
171.11691	14.2
173.11826	1.4
173.13275	5.2
173.97285	0.8
178.07872	0.8
179.08527	5.5
180.09351	1.5
181.10127	13.8
182.10886	1.8
183.11674	18.9
184.12515	1.2
185.09602	0.8
185.13220	10.0
187.11206	1.1
187.13274	0.8
187.14819	1.8
191.08601	1.3
193.10088	5.7
194.10825	1.5
195.11664	13.7
197.11467	1.1
197.13232	13.6
199.14836	4.7
205.10165	2.6
206.10802	1.0
207.11665	5.9
209.13217	12.2
211.14801	6.6
213.12825	1.3
213.16449	1.5
215.14304	1.0
219.11690	2.7
221.13261	5.6
223.14830	7.4
225.16393	3.3
233.13240	2.5
235.14751	4.8
237.16367	3.3
247.14804	2.4
249.16435	2.6
251.18048	1.7
261.16357	2.0
263.17938	1.8
265.19543	1.1
275.17889	1.3
277.19522	1.9
278.50308	0.9
279.21033	1.1
281.18967	1.0
283.17310	1.1
283.20560	1.6
289.19504	1.3
295.20599	1.8
297.18637	0.9
297.22159	2.3
299.20120	1.4
299.23648	1.1
303.20917	1.4
307.20554	1.9
309.22171	3.0
313.21643	1.8
321.22083	2.4
323.23660	2.2
325.21692	1.9
327.23215	1.1
333.22116	1.9
335.23782	3.7
339.23145	3.0
345.22147	1.2
349.21271	1.2
349.25287	1.5
351.23120	1.8
353.24612	1.4
363.23126	1.4
365.24619	1.5
369.24402	1.0
377.24918	1.1
379.26263	1.5
405.31525	2.3
415.29715	9.1
427.28857	1.3
433.30978	27.4
451.32010	14.5
469.33273	5.6
471.32394	2.9
489.33441	3.9
507.34592	16.1
508.34616	1.1
525.35693	100.0
526.36108	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.05500	24.6
55.85296	3.2
57.03435	5.3
57.07064	6.1
67.05504	36.7
68.72319	3.6
69.03410	12.5
69.07058	62.6
70.06585	4.9
71.04969	4.1
71.52737	3.6
71.53133	4.2
79.05479	31.0
81.03407	9.9
81.07047	100.0
83.04955	12.5
83.08589	9.8
83.92939	3.6
85.02892	12.2
85.06532	26.3
91.03957	3.5
91.05461	17.2
93.07037	53.0
95.04932	10.9
95.08601	60.1
97.06499	8.6
97.10166	9.2
99.04469	4.7
99.08066	13.6
103.49620	3.9
105.07012	24.3
107.04989	4.5
107.08595	39.0
109.05834	4.1
109.06474	18.9
109.10156	46.5
111.04418	6.7
111.08075	13.8
111.11700	16.9
114.33908	4.3
114.87317	3.8
119.08543	19.2
121.06523	10.0
121.10135	32.5
123.04408	7.1
123.08027	10.2
123.11702	34.4
125.05936	8.0
125.09612	11.9
127.03906	4.9
127.11116	3.8
129.07016	8.0
131.08522	10.4
133.10109	14.5
135.08049	5.1
135.11700	20.4
137.05963	30.1
137.09570	7.2
137.13220	15.9
139.03880	7.9
139.11156	17.3
140.02173	4.0
143.08575	4.2
145.10141	8.6
147.08014	4.5
147.11656	11.8
149.09576	8.4
149.13245	32.8
149.17479	3.4
151.03883	5.1
151.07506	10.0
151.14827	4.1
151.90939	4.1
153.05464	16.3
153.09108	3.6
153.12680	9.9
157.10056	8.6
159.07977	4.7
159.11667	8.1
161.05943	12.6
161.09639	3.9
161.13260	5.0
163.11153	9.6
163.14764	10.7
165.05463	7.1
165.09082	12.7
167.07056	7.8
172.81685	4.0
173.09528	4.9
175.07523	7.5
175.14742	3.9
177.09071	5.5
177.16408	8.0
179.10637	4.1
180.68782	3.8
181.12173	3.8
189.09010	9.2
189.12788	4.3
191.10680	7.2
193.08501	5.8
195.10130	4.9
199.06070	6.9
203.17824	5.2
207.10124	5.2
213.18452	4.7
217.19492	3.9
219.10068	5.9
221.11862	4.9
237.97609	4.2
260.40256	3.8
263.07657	3.6
273.62192	4.1
279.26907	4.4
291.26740	21.5
297.27957	10.0
309.27869	41.6
313.10681	7.3
327.28708	9.4
393.18814	5.8
471.26947	5.9
489.28323	9.0
507.29669	8.7
525.22913	71.5
525.29797	6.8
526.23004	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	525.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.6
55.05495	13.0
57.03428	2.3
57.07069	54.4
65.03925	3.2
67.05495	100.0
67.82410	1.9
68.05807	2.2
69.07063	18.4
69.59764	12.3
71.04982	71.8
71.08623	36.6
79.05479	20.7
79.35396	1.8
81.03395	2.5
81.07044	37.7
83.04964	11.3
83.08615	16.2
85.06513	3.7
85.10168	22.3
89.06031	2.6
91.05470	30.3
93.07033	27.8
95.04956	5.2
95.08588	43.1
97.06519	7.0
97.10150	8.2
101.36049	1.7
105.07022	2.2
107.08572	13.0
109.06541	2.0
109.10141	80.9
111.08077	2.9
113.85664	1.9
117.06992	2.1
119.08556	17.1
120.46863	1.7
121.10131	7.4
123.11687	7.6
124.72571	1.7
125.13277	1.9
135.11684	18.2
137.09605	27.9
137.13211	1.9
145.10118	6.5
155.10674	5.6
163.11201	6.5
169.12225	9.2
173.11765	3.4
181.12227	5.5
239.23628	9.3
269.17422	3.8
271.15329	5.4
271.80554	1.8
339.29132	3.2
341.26926	5.3
481.38754	30.4
525.41431	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.9
57.54240	6.2
67.05505	38.2
68.93377	6.7
69.07051	10.3
70.78589	20.5
71.04974	7.0
78.53653	6.2
79.05466	23.1
81.07064	35.1
83.08627	7.4
91.05481	18.0
93.07021	26.1
95.04961	9.6
95.08605	44.9
97.10183	7.6
97.21893	6.3
105.07018	22.2
107.08589	30.1
109.10147	23.4
111.08052	9.8
115.90178	6.1
117.07045	10.3
118.07280	8.2
118.77881	6.4
119.08562	22.4
121.10090	10.2
123.08082	7.4
129.06900	9.3
131.08551	23.8
133.10103	18.7
142.07811	8.6
143.08534	25.2
145.10127	27.5
145.11198	7.3
147.11685	9.2
148.72623	6.8
155.08536	25.7
156.08942	6.1
157.10115	36.0
159.07988	7.1
159.11694	24.8
165.07065	6.9
169.10100	21.1
170.10524	12.5
171.11725	17.1
172.12025	6.9
173.13263	9.0
180.09187	7.8
182.10504	7.0
183.11656	18.6
184.12044	6.8
185.09560	8.4
185.13298	14.4
187.14735	6.8
193.10114	8.8
195.11688	18.6
196.12257	9.9
197.13220	22.2
199.11150	11.4
199.14854	14.5
207.11682	11.3
209.13274	7.1
210.13576	6.3
211.11429	7.8
221.13268	11.3
223.14813	12.9
273.18512	9.3
305.19077	7.8
321.15460	7.5
323.19968	12.3
369.66229	7.0
379.26602	9.2
417.27841	22.8
427.26242	17.5
434.30975	19.5
445.27362	49.5
452.32407	14.6
463.28241	52.6
470.33322	9.1
508.34845	8.6
526.36194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.5
67.05481	10.6
69.07043	4.1
79.05459	5.2
81.07041	9.9
83.04955	8.5
83.08587	3.5
91.05467	7.3
93.07043	13.5
95.08595	32.8
105.07013	7.7
107.08588	9.1
109.10134	6.8
111.04400	4.4
111.08054	4.1
117.06982	6.9
119.08535	9.5
120.86195	2.5
121.10133	7.5
123.11726	2.9
125.09604	2.8
128.06194	2.8
129.07021	6.2
131.08565	9.2
133.10106	11.0
135.11646	6.7
141.50385	2.7
142.07745	4.6
143.08543	10.2
145.10110	9.8
147.11679	5.2
149.09598	2.9
155.08565	5.9
156.09253	3.9
157.10104	12.0
159.11736	13.1
169.10114	8.7
170.10832	4.1
170.20775	2.6
171.08064	5.6
171.11653	8.3
181.10039	3.0
183.11702	13.7
185.09651	3.4
185.13240	10.4
187.14842	5.8
193.10263	2.9
195.11662	4.4
197.11647	2.8
197.13271	11.0
207.11633	2.7
211.11160	6.4
213.12862	3.1
215.10712	2.4
223.14813	3.4
227.14288	2.8
229.12218	2.8
231.13771	6.4
235.14735	3.4
241.12131	2.8
243.13805	3.4
267.13824	3.1
296.46393	2.7
323.19846	4.1
417.27542	13.7
419.29727	3.1
445.27380	18.9
463.28357	100.0
464.28320	4.2
494.13422	2.6
508.34836	2.9
526.35834	9.5
527.36920	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	527.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
57.03406	1.7
60.52332	0.6
61.02894	1.5
69.03423	6.2
70.60073	2.0
73.02875	1.8
79.06556	0.6
81.03375	0.8
85.02403	0.9
85.02892	12.4
86.03222	1.7
89.00851	0.7
91.03931	1.2
94.99818	1.0
97.02886	4.3
98.97540	1.1
101.00874	2.3
110.55017	0.6
113.00890	0.8
114.84409	0.6
119.01907	6.0
120.56101	0.6
122.01416	0.6
127.03910	4.9
128.04222	0.9
131.01912	5.4
137.01848	2.2
137.02827	0.8
142.01765	2.9
143.01872	6.7
145.01653	1.9
145.03421	2.2
145.04933	4.5
152.02345	1.3
155.01877	23.1
156.01942	0.8
157.01662	0.9
157.03453	1.4
159.04424	0.7
160.01389	0.6
160.02805	2.8
161.02934	7.5
162.02982	1.0
163.02637	1.4
164.02383	0.7
167.01859	1.4
169.03459	1.2
171.04997	0.7
173.02940	36.9
174.03075	1.3
175.02693	1.9
175.04373	1.1
179.02901	0.9
182.03503	0.6
183.04764	0.5
183.55151	1.3
184.04865	1.6
185.02907	9.2
185.04289	1.1
186.03131	1.2
187.02725	1.7
187.04468	1.3
188.03297	0.8
193.05434	1.7
193.55734	0.9
194.03410	1.3
196.04552	0.8
197.02910	1.8
201.00636	1.1
203.03531	7.7
203.05437	4.7
204.04132	0.8
205.03812	1.6
209.03976	0.8
215.03871	2.3
219.01773	1.0
221.04463	4.7
224.04515	3.0
227.04036	1.6
233.05000	1.0
237.02864	0.7
239.06165	0.7
245.05026	33.3
246.05223	2.4
247.04810	3.6
248.05173	1.1
254.05704	1.0
257.04947	3.0
263.06021	2.9
264.06342	1.2
264.57721	0.9
265.05533	1.1
265.57971	1.9
266.06006	0.7
273.58224	2.0
274.08209	3.0
274.58325	3.4
275.05945	7.0
275.56305	1.1
276.06296	0.8
277.05936	1.3
284.06714	1.3
287.05994	1.2
290.06720	0.8
293.07144	1.9
296.56415	0.9
305.07120	25.5
305.57437	0.9
306.07333	0.7
307.07147	0.7
313.05695	0.9
314.07898	1.2
317.07205	1.5
323.08063	0.8
329.07056	0.7
335.07974	1.0
347.08078	7.2
365.10516	85.5
366.10388	1.1
367.09268	0.9
386.09964	1.4
407.10251	9.9
427.11343	1.5
428.11597	1.1
468.10559	0.8
527.15759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01865	3.2
55.05501	19.3
57.03426	4.0
57.07063	2.2
65.03932	2.6
67.05492	41.6
69.07048	13.8
70.73218	5.1
73.57646	1.6
77.03902	1.9
79.05484	35.5
81.03420	9.4
81.07052	47.3
83.04971	8.0
83.08606	12.5
87.93427	1.8
91.05472	43.2
93.07031	45.5
95.04982	10.2
95.08593	51.3
97.06529	5.4
97.10165	6.7
99.04456	2.0
105.07012	44.4
107.04932	4.2
107.08572	36.5
109.06524	6.3
109.10144	22.3
111.04470	3.9
111.08074	6.0
115.05445	4.1
117.07010	17.4
119.08562	40.5
121.06547	3.6
121.10131	23.9
123.08070	5.9
123.11697	8.0
125.09619	4.0
128.06149	3.4
129.07001	15.9
130.07780	2.8
131.08551	33.7
133.06487	3.6
133.10117	32.1
133.11070	2.8
135.08070	5.1
135.11681	16.1
137.05923	2.9
137.13278	2.0
139.07506	3.3
141.06982	5.0
142.07762	3.7
143.08536	17.4
144.09335	3.3
145.10097	33.3
147.08043	4.7
147.11661	18.5
147.21298	1.8
149.09605	4.6
149.13251	5.7
151.07539	3.1
155.08540	11.1
156.09395	2.8
157.10098	23.7
159.08044	4.9
159.11644	24.5
161.09604	8.1
161.13213	14.8
163.11229	2.2
163.14828	4.1
167.08577	4.2
169.10088	11.4
171.11667	15.1
173.09624	3.3
173.13223	15.8
175.11121	8.7
175.14833	7.8
177.09209	2.6
179.10678	4.5
181.10179	7.0
183.11667	14.0
185.09695	3.4
185.13176	13.9
187.11198	4.0
187.14803	12.5
189.11256	2.5
189.12761	5.3
189.16432	3.8
193.12254	6.9
195.11722	6.3
197.13248	11.4
199.11180	3.1
199.14861	10.8
201.12791	6.6
201.16386	5.7
203.14217	2.7
207.11858	2.0
207.13847	3.8
209.13300	6.5
211.14835	9.2
213.12738	4.6
213.16368	4.2
215.14359	6.8
217.15948	3.6
219.13812	5.2
221.13356	3.1
221.15355	2.2
223.14870	3.9
225.16451	4.9
227.14343	5.0
229.15828	5.4
231.13789	3.0
233.15379	7.5
235.14899	3.6
237.16438	2.7
239.17851	3.5
245.15524	2.2
247.16898	4.7
255.17381	2.3
255.21066	1.9
259.17078	2.6
281.22797	3.7
290.93323	2.0
309.22165	4.8
313.21390	2.1
327.23279	4.3
387.25266	3.6
403.29993	3.7
417.31461	9.1
421.31024	8.6
431.29520	7.5
435.32498	14.3
449.30518	9.2
453.33673	6.5
467.31677	3.3
471.34845	6.0
483.34073	2.1
509.36508	5.0
527.37341	100.0
528.37640	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	527.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01873	3.8
55.05503	26.5
57.03423	3.7
57.07057	2.6
58.95630	1.1
61.13942	1.1
62.32272	1.1
65.03922	2.4
67.05498	46.3
69.03425	4.9
69.07054	14.8
70.57639	4.2
71.04987	2.7
79.05482	31.7
81.02966	0.8
81.03406	29.7
81.07046	36.4
83.04977	5.8
83.08604	16.4
91.05463	29.6
91.05997	2.2
93.07029	36.2
95.04954	11.7
95.08595	38.8
97.02872	1.5
97.06535	4.2
97.10152	16.4
99.04423	1.7
105.04533	2.1
105.07014	29.0
107.04950	3.3
107.08574	29.7
109.06522	3.7
109.10152	20.2
111.04445	3.7
111.08071	5.3
113.06026	1.7
113.09619	1.4
115.05424	2.2
117.06998	13.5
119.08562	25.4
119.09337	2.1
121.06480	3.3
121.10136	20.5
123.08066	5.1
123.11706	3.6
125.09626	11.0
128.06256	3.1
129.07031	11.1
130.07829	2.0
131.08549	24.9
131.09494	1.9
133.06458	2.8
133.10112	20.9
135.08057	3.9
135.11690	13.0
137.09631	1.9
141.06963	2.3
141.09131	2.3
142.07796	4.2
143.08553	15.8
144.09247	1.4
145.06532	2.0
145.10106	20.3
147.08096	2.8
147.11667	13.4
149.09653	3.7
149.13287	5.3
153.09100	2.3
155.08542	8.9
156.09332	1.5
157.10091	20.3
157.11229	1.5
158.10878	1.4
159.08043	1.5
159.11667	16.5
161.09654	4.5
161.13255	8.0
163.11205	1.9
165.12827	1.4
167.08594	2.1
168.09399	1.6
169.10162	8.0
171.11653	15.0
173.09654	3.2
173.11852	2.3
173.13234	14.2
175.11208	4.2
175.14896	4.8
179.10750	2.2
181.10112	3.6
182.10901	1.7
183.11737	8.7
185.13231	8.4
187.11197	3.1
187.14789	8.2
189.11229	7.3
189.12762	2.2
191.10735	1.7
193.10518	1.7
193.12227	16.6
195.11690	2.8
197.13283	10.4
199.11211	2.8
199.14799	6.1
201.12762	4.0
201.16443	3.6
203.14319	1.9
209.13239	3.4
211.11189	1.5
211.14915	5.3
213.12685	1.7
213.16435	4.5
215.14343	3.6
215.17923	1.5
219.13791	2.9
221.13390	1.7
221.15334	2.5
223.14752	3.1
225.16408	5.1
227.14374	1.8
227.17996	2.1
229.12462	1.5
229.16035	2.4
230.76355	1.4
231.13876	1.6
233.15265	2.2
235.14734	2.1
237.16391	1.7
239.17992	1.8
241.19598	2.1
245.15486	1.4
247.17032	2.4
249.14824	1.9
253.19562	1.8
255.21268	1.7
261.22153	3.0
281.22772	3.1
285.18399	2.3
299.23697	3.3
301.25308	3.6
309.22260	3.0
317.24799	1.4
327.23236	3.2
332.96545	1.3
365.24823	1.5
387.25394	4.3
395.29614	2.3
417.31479	2.6
421.30991	10.9
431.29660	4.7
435.32419	9.9
439.31998	1.9
449.30511	11.1
453.33609	11.3
467.31680	5.3
471.34650	7.5
509.32385	1.8
509.36499	1.3
527.37378	100.0
528.38098	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	527.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16854	0.9
50.60800	0.8
52.97530	0.9
53.03933	3.9
55.01865	2.9
55.05250	1.3
55.05502	19.2
57.03422	3.3
57.07068	2.2
65.03922	2.2
67.05495	34.6
69.03403	1.8
69.07056	12.0
71.04978	2.2
79.05485	31.4
81.03408	21.8
81.07048	37.9
83.04970	4.5
83.08610	10.6
85.06516	2.3
87.14844	0.9
91.04992	0.6
91.05471	24.6
93.07030	32.2
93.94598	1.2
95.04963	9.6
95.08596	29.9
95.09213	1.6
96.27414	1.0
97.06525	3.1
97.10165	9.0
103.05473	1.1
105.07011	24.9
105.07650	1.9
107.04951	1.6
107.08582	21.8
109.02826	1.0
109.06519	3.1
109.10149	16.0
111.04478	1.2
111.08083	3.5
115.05476	2.9
117.07003	12.3
119.08572	24.1
119.09428	1.2
121.06487	2.6
121.10122	13.9
123.08060	3.3
123.11700	4.4
125.09622	5.6
128.06203	2.4
129.07004	13.0
130.07806	1.2
131.08545	23.1
133.06482	2.3
133.10104	18.7
135.08063	3.1
135.11682	7.6
137.09615	1.7
141.06993	3.0
142.07764	3.2
143.08542	12.1
144.09357	2.0
145.06567	1.3
145.10104	21.0
147.08072	2.7
147.11674	11.0
149.09601	3.0
149.13245	3.4
151.07521	1.3
155.08534	7.3
156.09381	1.1
157.10124	17.4
158.10759	1.0
159.08026	2.5
159.11694	16.1
161.09639	4.0
161.13214	7.9
163.14813	1.7
165.12758	1.1
167.08557	1.9
168.09341	1.8
169.10101	8.8
171.11633	13.3
173.09598	2.6
173.13248	10.2
175.11205	3.8
175.14784	3.2
179.10721	2.2
181.10126	4.7
183.11687	10.0
184.12296	1.0
185.09676	1.7
185.13257	7.4
187.11230	1.8
187.14819	5.3
189.11234	4.1
189.12695	1.3
189.16341	1.6
193.10324	1.7
193.12228	12.2
195.11676	4.3
197.13162	7.5
199.14825	7.2
201.12715	3.0
201.16405	3.6
203.18127	1.0
209.13373	4.6
211.14845	3.5
213.12772	2.5
213.16411	4.2
215.14326	3.2
219.13770	1.0
221.13260	2.0
223.14839	3.1
225.16267	2.1
227.14368	1.4
229.15767	2.2
231.13849	1.5
231.17349	1.5
233.15414	1.7
235.14828	1.2
237.16335	1.9
239.17967	1.6
243.17453	1.5
245.15543	1.4
247.16971	2.6
249.14877	1.7
253.19472	1.3
255.17381	1.0
259.17038	1.2
259.20538	0.9
261.22198	4.4
269.54813	1.0
273.18503	1.6
281.22751	1.6
299.23471	1.2
301.25247	2.7
309.22144	2.6
327.23401	2.2
335.23688	1.8
337.25217	1.2
341.24988	1.7
417.31540	3.9
421.30658	2.2
431.29443	3.8
435.32532	13.8
439.32141	1.7
449.30634	5.0
453.33484	9.4
471.34567	6.0
473.34375	2.0
509.36847	6.8
527.37311	100.0
528.37146	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	527.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16854	0.9
50.60800	0.8
52.97530	0.9
53.03933	3.9
55.01865	2.9
55.05250	1.3
55.05502	19.2
57.03422	3.3
57.07068	2.2
65.03922	2.2
67.05495	34.6
69.03403	1.8
69.07056	12.0
71.04978	2.2
79.05485	31.4
81.03408	21.8
81.07048	37.9
83.04970	4.5
83.08610	10.6
85.06516	2.3
87.14844	0.9
91.04992	0.6
91.05471	24.6
93.07030	32.2
93.94598	1.2
95.04963	9.6
95.08596	29.9
95.09213	1.6
96.27414	1.0
97.06525	3.1
97.10165	9.0
103.05473	1.1
105.07011	24.9
105.07650	1.9
107.04951	1.6
107.08582	21.8
109.02826	1.0
109.06519	3.1
109.10149	16.0
111.04478	1.2
111.08083	3.5
115.05476	2.9
117.07003	12.3
119.08572	24.1
119.09428	1.2
121.06487	2.6
121.10122	13.9
123.08060	3.3
123.11700	4.4
125.09622	5.6
128.06203	2.4
129.07004	13.0
130.07806	1.2
131.08545	23.1
133.06482	2.3
133.10104	18.7
135.08063	3.1
135.11682	7.6
137.09615	1.7
141.06993	3.0
142.07764	3.2
143.08542	12.1
144.09357	2.0
145.06567	1.3
145.10104	21.0
147.08072	2.7
147.11674	11.0
149.09601	3.0
149.13245	3.4
151.07521	1.3
155.08534	7.3
156.09381	1.1
157.10124	17.4
158.10759	1.0
159.08026	2.5
159.11694	16.1
161.09639	4.0
161.13214	7.9
163.14813	1.7
165.12758	1.1
167.08557	1.9
168.09341	1.8
169.10101	8.8
171.11633	13.3
173.09598	2.6
173.13248	10.2
175.11205	3.8
175.14784	3.2
179.10721	2.2
181.10126	4.7
183.11687	10.0
184.12296	1.0
185.09676	1.7
185.13257	7.4
187.11230	1.8
187.14819	5.3
189.11234	4.1
189.12695	1.3
189.16341	1.6
193.10324	1.7
193.12228	12.2
195.11676	4.3
197.13162	7.5
199.14825	7.2
201.12715	3.0
201.16405	3.6
203.18127	1.0
209.13373	4.6
211.14845	3.5
213.12772	2.5
213.16411	4.2
215.14326	3.2
219.13770	1.0
221.13260	2.0
223.14839	3.1
225.16267	2.1
227.14368	1.4
229.15767	2.2
231.13849	1.5
231.17349	1.5
233.15414	1.7
235.14828	1.2
237.16335	1.9
239.17967	1.6
243.17453	1.5
245.15543	1.4
247.16971	2.6
249.14877	1.7
253.19472	1.3
255.17381	1.0
259.17038	1.2
259.20538	0.9
261.22198	4.4
269.54813	1.0
273.18503	1.6
281.22751	1.6
299.23471	1.2
301.25247	2.7
309.22144	2.6
327.23401	2.2
335.23688	1.8
337.25217	1.2
341.24988	1.7
417.31540	3.9
421.30658	2.2
431.29443	3.8
435.32532	13.8
439.32141	1.7
449.30634	5.0
453.33484	9.4
471.34567	6.0
473.34375	2.0
509.36847	6.8
527.37311	100.0
528.37146	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	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01874	3.4
55.05507	22.4
57.03426	2.7
57.07061	2.1
65.03936	1.8
66.60620	0.7
67.05496	38.0
69.03413	1.3
69.07061	11.3
70.20481	1.6
70.20868	1.9
71.04980	1.9
78.49361	0.7
79.05482	31.9
81.03410	34.5
81.07048	33.4
83.04976	4.0
83.08603	15.0
85.06531	1.4
91.05466	23.6
93.07034	26.8
95.04958	11.2
95.08597	22.8
97.06530	2.3
97.10152	13.3
103.05447	0.9
105.07024	20.8
107.04953	2.2
107.08582	20.3
109.06513	2.3
109.10144	14.9
111.04443	0.9
111.08071	3.5
113.09639	0.7
115.05461	2.0
117.06995	10.1
119.08569	15.8
121.06498	1.9
121.10130	13.0
123.08091	2.5
123.11683	2.5
125.09618	8.3
128.06207	2.3
129.06993	9.6
130.57176	0.7
131.08554	17.8
133.06490	1.4
133.10115	10.7
135.08046	1.9
135.11676	8.5
137.09641	2.0
137.13264	1.0
141.06979	2.6
142.07805	2.0
143.08530	7.1
145.10107	15.4
147.08051	1.8
147.11662	9.0
148.79416	0.7
149.09618	1.6
149.13208	4.2
150.91742	0.7
153.09062	1.2
155.08536	5.3
156.09280	0.9
157.10095	11.9
159.11664	9.5
161.09552	1.6
161.13210	3.8
163.14859	1.9
167.08545	2.0
168.09328	0.9
169.10114	4.7
171.11656	7.1
173.09633	1.6
173.11850	1.0
173.13245	6.8
175.11115	4.7
175.14833	3.2
179.08434	0.8
181.10167	2.0
183.11639	5.7
184.12329	0.6
185.13300	6.0
187.14767	4.7
189.11227	5.7
189.12758	1.0
193.10362	1.3
193.12213	16.8
193.13847	1.2
195.11690	2.2
197.13205	4.2
199.14899	2.5
201.12715	0.9
201.16435	2.0
209.13283	1.7
211.14859	3.1
213.16347	1.7
215.17946	0.7
221.13277	0.9
223.14917	1.4
225.16365	1.7
227.18069	0.8
231.13680	0.7
239.14316	0.7
239.17879	0.8
241.19293	0.8
243.21101	2.0
249.14821	1.7
251.17957	0.9
259.20792	0.8
261.19507	0.9
261.22076	5.4
267.15900	1.0
281.22589	1.5
285.22174	1.3
287.20187	1.3
297.22006	0.9
299.23785	2.2
301.25174	4.9
311.23676	1.3
313.21561	1.2
315.23245	1.6
317.24631	1.7
323.23541	1.2
327.23248	1.6
339.23257	0.9
341.24551	1.1
365.24921	1.0
417.31558	2.8
421.31281	1.2
425.34338	1.2
435.32495	9.7
449.30460	0.9
453.33652	10.0
471.34677	9.4
509.36453	3.5
527.37292	100.0
528.37531	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	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01852	2.3
55.05260	1.1
55.05502	17.3
57.03409	2.9
57.07056	1.1
61.31305	0.8
65.03912	1.1
67.05495	35.5
69.03418	1.6
69.07056	10.2
69.26678	7.5
71.04982	2.0
79.05481	25.5
81.03407	22.3
81.07045	30.1
83.04960	3.9
83.08617	11.3
85.06553	0.9
91.05466	23.3
93.07028	23.5
95.04951	10.5
95.08595	19.5
97.06516	2.3
97.10153	8.8
99.08029	0.9
99.98399	0.7
105.07015	20.1
107.04947	2.9
107.08578	14.4
109.06507	2.2
109.10137	12.6
111.08058	3.7
115.05418	1.5
117.06993	7.7
119.08560	17.0
121.06503	1.3
121.10121	9.2
123.08017	1.2
123.11662	1.8
125.09609	5.9
128.06197	2.8
129.06979	8.3
131.08546	17.8
133.06418	1.4
133.10094	9.4
135.08043	1.3
135.11665	6.8
137.09694	0.9
141.06978	2.8
142.07710	1.6
143.08522	9.2
145.10094	12.3
147.08009	1.2
147.11676	7.6
149.09607	2.0
149.13258	3.9
153.09052	1.0
155.08522	7.3
156.09380	1.0
157.10112	11.5
159.11658	9.5
161.13190	3.7
163.11119	0.8
164.64919	0.8
165.12701	0.9
165.85619	0.7
167.08578	2.0
169.10089	7.7
171.11655	8.2
173.11737	1.8
173.13251	5.2
175.11200	2.5
175.14766	1.1
179.08517	0.8
181.10152	2.5
182.10875	0.9
183.11678	6.6
185.13225	6.0
187.14810	3.6
189.11209	3.0
193.10478	1.0
193.12209	12.1
195.11688	2.8
195.13394	0.9
197.13295	4.5
199.13206	0.9
199.14841	3.7
201.12814	0.9
207.11765	0.8
209.13280	2.6
211.14807	2.9
213.16336	1.6
221.13289	1.7
223.14775	2.3
225.16408	2.2
261.22128	3.7
285.18292	0.9
297.22153	0.9
299.23599	2.0
301.21954	1.0
301.25229	3.1
303.89410	1.0
309.22079	1.2
315.22876	1.1
325.25308	1.1
327.23178	1.1
329.24561	0.9
337.25067	1.0
341.24817	1.2
353.24753	1.1
417.31790	3.9
435.32520	11.0
453.33563	10.3
471.34723	6.3
509.36432	6.0
527.37256	100.0
528.37640	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	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03922	1.7
54.12840	0.5
55.01849	2.0
55.05502	16.4
57.03427	4.0
57.07059	1.3
62.99348	0.6
63.73951	0.5
65.03920	1.4
66.54677	0.6
67.05494	26.7
68.18404	0.6
69.03429	0.8
69.06706	0.9
69.07060	12.3
70.60468	1.4
71.04980	1.7
73.76220	0.6
79.05479	22.0
80.05817	0.6
80.68750	0.6
81.03403	8.9
81.07045	27.0
83.04965	4.2
83.08603	6.1
85.06518	1.5
91.05469	22.3
93.07026	18.6
95.04968	5.1
95.08590	18.0
97.06508	2.6
97.10176	4.3
99.08096	0.9
105.04527	0.6
105.07014	19.7
107.04929	2.4
107.08585	12.5
109.06496	2.3
109.10139	9.0
111.08041	2.1
113.42503	0.6
115.05422	1.7
117.06995	9.3
119.08569	14.6
120.07548	0.6
121.06538	1.0
121.10126	8.2
123.08051	1.3
123.11689	1.7
125.09592	2.7
128.06244	3.3
129.06990	10.7
130.07777	1.1
131.08548	20.3
133.06448	0.7
133.10118	10.8
135.08014	1.0
135.11667	5.9
137.09579	1.3
139.11172	0.7
141.06966	4.7
142.07716	3.3
143.08536	13.4
145.10103	15.9
147.08011	1.8
147.11658	7.8
149.09619	1.2
149.13220	1.4
153.06973	0.8
154.07684	0.9
155.08527	9.4
156.09377	0.8
157.10103	13.8
159.08090	1.2
159.11668	11.5
161.09608	1.0
161.13252	3.9
163.11160	1.2
163.14822	1.1
165.06979	0.8
167.08511	3.9
168.09338	1.1
169.10097	9.9
171.11661	10.9
173.09538	0.8
173.11844	1.0
173.13243	6.8
175.11163	2.6
175.14850	1.9
179.08578	1.3
179.10693	0.6
181.10091	5.6
182.10893	0.9
183.11664	10.6
185.09547	1.0
185.13235	7.1
187.11136	1.8
187.14774	4.4
189.11160	1.4
189.12738	0.9
189.16293	0.9
192.09299	0.8
193.10208	1.9
193.12250	4.9
195.11583	4.2
197.13228	7.8
198.36906	0.6
199.13261	0.9
199.14792	5.6
201.12737	0.7
201.16399	1.4
203.14301	0.8
207.11667	1.5
208.12244	0.7
209.13234	4.2
211.14780	4.4
213.16367	2.6
215.14383	1.2
221.13245	2.5
223.14810	3.5
225.16350	2.3
227.14471	0.7
227.17923	1.6
235.14828	2.0
237.16360	1.5
239.17992	1.2
243.21210	1.1
247.14636	0.7
249.16505	1.3
251.18187	1.4
255.17480	1.0
259.20508	0.7
261.22021	3.2
265.28726	0.6
281.19003	0.6
283.20447	1.3
287.20319	0.8
295.20642	1.1
297.18539	0.6
297.21927	1.4
299.20044	0.7
299.23679	0.9
301.25238	0.7
309.22137	2.1
311.23749	1.3
315.23233	1.1
317.24927	0.9
323.23724	1.6
325.25125	1.2
327.23132	1.5
337.25244	1.2
349.25195	1.2
417.31473	5.0
425.34128	1.2
435.32568	17.6
435.38297	1.3
449.30194	0.8
453.33655	8.0
471.34592	3.6
473.33942	1.2
491.35211	1.9
501.95667	0.6
509.36136	7.4
527.37231	100.0
528.37653	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	528.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26519	4.5
58.90982	4.7
67.05501	6.9
68.26094	3.9
70.63531	4.7
71.53905	9.2
74.62220	4.7
83.04983	9.0
89.03895	9.7
89.64888	4.7
95.04938	9.1
96.41477	4.7
97.02930	5.9
98.20969	4.5
106.73045	4.9
111.04424	15.0
117.03336	7.0
125.02332	8.9
129.05479	6.2
129.06961	5.4
129.10956	4.5
134.22893	4.6
135.04359	10.6
139.03864	11.5
141.06963	9.9
145.02856	16.5
153.01854	5.5
157.04985	6.7
157.06439	5.3
163.03886	100.0
164.04311	5.7
165.05539	6.5
165.06926	11.5
169.06438	13.0
171.06485	9.5
181.06418	9.1
185.05977	21.7
189.05472	6.9
195.04303	7.4
197.05936	38.5
209.05850	6.4
210.53682	5.3
213.05417	54.4
217.07054	34.2
227.06969	11.0
231.06580	12.0
237.05377	9.9
239.06897	8.2
241.04901	36.7
247.24435	5.8
255.06566	16.7
259.06000	53.4
265.04791	6.6
271.43094	5.3
273.02808	5.7
277.07047	38.2
283.05969	38.5
292.09637	7.4
301.06979	26.3
319.08105	25.6
337.09122	14.3
357.49573	5.8
447.12952	15.2
451.12326	7.8
493.12967	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70830	2.2
55.01842	3.8
55.05492	8.4
57.03422	5.4
57.07060	10.5
61.02922	3.4
67.05488	7.4
69.03422	10.4
69.07057	55.1
70.06565	4.6
71.04976	7.1
71.08620	8.7
73.02908	7.6
73.06549	8.6
77.70558	2.2
79.05485	5.5
81.03407	3.0
81.07036	7.8
83.08600	4.0
85.02894	14.1
85.06556	2.7
88.63526	2.3
89.06021	27.6
93.07016	6.1
95.04939	2.7
95.08588	4.1
97.02872	9.9
98.20699	5.1
105.07017	3.8
107.08578	4.8
109.10164	2.9
111.11703	77.5
112.78206	2.6
115.03916	4.3
117.07016	2.4
121.10184	3.8
123.11698	2.5
127.03917	4.0
129.12738	100.0
133.04942	5.9
137.05899	4.5
145.04944	4.4
147.11649	3.2
159.11594	2.7
160.07126	2.3
199.16899	17.7
211.30450	2.3
217.08685	3.1
217.17903	22.1
261.33917	3.0
273.14853	2.5
528.19574	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	528.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	28.9
57.03436	12.5
57.88140	12.8
61.02912	31.7
67.05492	59.3
69.07050	22.8
71.54107	13.6
79.05473	39.9
80.05014	10.9
81.03426	15.4
81.07028	48.9
83.04946	13.5
85.02871	36.1
87.83998	11.5
91.03922	37.9
91.05456	32.4
93.07030	40.8
95.08578	47.5
105.07019	40.1
107.08561	25.6
109.10120	24.9
117.06984	15.9
119.08562	25.5
120.12862	12.2
121.10142	13.7
123.08032	11.1
131.08533	22.5
133.10136	17.7
135.11652	20.6
143.08533	21.3
145.10085	30.8
147.11659	22.0
153.88802	9.9
155.08624	10.9
156.04686	19.9
157.10051	20.3
159.11760	20.0
164.69592	13.6
171.11644	11.6
179.26115	13.6
197.13277	16.5
215.04634	13.4
278.42508	11.4
435.32510	11.8
465.30084	58.6
528.37567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
52.43198	0.9
53.03933	4.2
55.01858	2.6
55.05502	14.6
57.03426	3.4
57.07061	2.7
65.03929	2.2
67.05495	44.4
68.05820	1.0
69.07059	16.4
69.45458	7.4
71.04980	2.3
79.05482	34.8
81.03403	4.5
81.07047	46.2
83.04979	3.1
83.08614	10.3
85.06521	3.3
87.04451	6.4
91.05463	23.8
91.05991	1.6
91.72145	0.9
93.07030	38.9
95.04941	5.7
95.08590	29.3
97.06525	5.4
97.10177	3.3
99.08086	1.5
100.06833	0.9
105.07019	19.5
107.08591	19.2
109.10149	8.1
110.10459	1.0
111.08076	4.1
115.05402	1.5
117.07014	9.3
119.08559	14.5
121.10118	15.9
122.10481	0.9
123.11684	3.5
125.09559	1.0
129.07013	4.5
131.08534	18.2
132.08870	1.3
133.10106	12.1
135.08032	1.4
135.11678	10.1
143.08482	5.0
145.10106	11.8
147.11639	7.2
149.09561	1.1
149.13252	13.6
155.08546	2.5
157.10115	6.9
159.11682	10.4
161.13242	4.0
169.10150	1.7
171.11678	3.5
173.13261	6.3
174.23509	1.0
175.14848	1.7
177.12761	3.3
181.10172	1.9
183.11691	3.2
185.13263	3.0
187.14838	3.2
195.11882	1.3
195.13806	4.4
197.13229	1.7
199.14824	1.7
201.16402	1.2
209.13316	1.2
211.14838	1.5
223.14787	1.0
256.26367	7.0
261.22174	2.3
275.19983	1.4
285.22336	1.3
313.25226	1.6
325.25134	1.1
341.24878	1.5
419.32932	3.1
437.34152	9.0
455.35043	5.0
473.35934	1.7
493.36426	1.5
511.37729	6.8
529.38727	100.0
530.38892	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	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28958	0.8
53.03936	3.8
55.01854	2.3
55.05508	14.7
57.03415	2.4
57.07066	1.3
65.03941	2.1
67.05498	55.7
69.07062	16.1
70.73928	1.6
70.74303	1.6
71.04974	3.4
71.48760	0.8
77.03914	1.3
79.05486	41.2
81.03402	3.7
81.07047	67.4
83.04974	4.3
83.08612	10.9
85.06544	3.1
91.05470	25.4
93.07037	53.6
95.04964	6.1
95.08595	30.9
97.06509	6.5
97.10167	2.6
99.08089	2.4
102.68934	0.8
105.04496	1.0
105.06354	1.8
105.07014	19.7
107.08583	25.3
107.73567	0.8
109.06502	1.9
109.10146	10.5
111.08076	3.5
117.06997	10.0
119.08572	14.0
121.10123	21.0
123.08072	1.5
123.11686	4.8
129.06985	4.0
131.08545	18.5
133.10110	13.5
135.11690	10.7
137.09650	0.8
141.07037	1.1
142.07765	1.0
143.08527	4.0
145.10088	12.0
147.11719	6.6
149.13235	17.7
151.11151	1.3
155.08566	1.7
157.10091	5.4
159.11674	12.3
161.13240	4.6
169.10141	2.7
171.11694	3.6
173.13243	7.5
175.14749	2.1
177.12766	3.4
181.10085	1.8
183.11714	1.9
185.13248	3.0
187.14812	2.3
195.13762	4.8
197.13232	2.3
199.14809	1.6
201.16357	1.5
209.13269	1.8
211.14824	1.2
213.16505	1.1
225.16472	1.3
260.81247	0.8
261.22141	3.3
285.22079	0.8
297.22418	1.4
339.27139	0.8
403.28119	0.9
417.30023	0.9
419.32962	2.1
437.34198	8.9
455.35260	3.1
473.36206	2.5
511.37689	5.1
529.38849	100.0
530.38989	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01856	1.3
55.05504	16.8
57.03426	2.9
57.07059	1.9
60.15416	0.7
65.03932	2.0
67.05497	47.0
69.03428	1.3
69.07061	16.5
69.86998	4.3
71.04983	1.6
79.05485	34.7
81.03407	4.4
81.07048	52.7
83.04967	2.2
83.08611	8.6
85.06528	2.3
86.43684	0.8
91.05473	26.3
93.07034	37.8
95.04953	6.0
95.08595	27.5
97.06523	4.3
97.10164	2.4
98.21464	1.5
99.08064	1.0
100.48956	0.7
105.04525	1.1
105.07017	19.3
107.08583	22.8
109.06516	1.7
109.10137	9.7
109.93862	0.8
111.08074	4.3
117.06995	9.8
119.08578	13.4
121.06493	1.6
121.10123	16.3
123.11682	5.0
125.09621	1.7
129.06984	3.9
131.08554	14.6
133.10124	14.5
135.11664	8.8
136.79938	0.8
139.11232	1.3
141.07016	1.2
142.07726	1.0
143.08551	4.9
145.10100	12.1
145.11142	1.4
147.11664	5.6
149.13252	10.0
155.08543	3.0
157.10095	6.3
159.11646	11.9
159.12811	1.0
161.13222	4.3
163.11192	1.0
163.14818	1.8
165.12700	0.8
169.10124	2.0
171.11700	3.4
173.13245	5.9
175.14877	1.5
177.12808	1.7
181.10077	1.7
183.11722	1.7
185.13231	4.2
187.14815	3.1
193.12291	1.2
195.13779	7.7
197.13254	1.6
199.14838	2.9
201.16476	1.2
211.14886	1.0
213.16481	1.8
223.14754	1.1
225.16322	0.9
253.17975	2.2
261.22208	3.2
299.23752	1.4
311.23593	1.0
317.24652	1.1
325.25275	1.3
355.26331	1.4
419.33112	2.8
437.34085	10.7
455.35211	4.0
473.36453	1.9
511.37592	5.4
529.38824	100.0
530.39191	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03933	3.2
55.01858	1.8
55.05249	1.2
55.05505	14.4
56.81706	0.8
57.03419	3.5
57.07058	2.3
65.03922	2.7
67.05498	41.5
69.03432	0.7
69.07059	12.7
70.06546	1.0
71.04977	2.5
71.28371	1.3
79.05486	32.3
81.03406	1.2
81.07049	48.8
83.04955	3.3
83.06087	1.0
83.08616	8.3
85.06529	2.4
91.05472	23.9
93.07037	38.9
95.04959	4.7
95.08593	24.7
97.06506	3.9
97.10143	2.6
99.08080	1.7
102.23370	0.7
105.04512	0.8
105.07018	16.2
107.04993	0.6
107.08583	21.3
108.72127	0.7
109.06475	1.4
109.10137	9.7
111.08067	3.1
115.05406	1.3
117.07005	8.4
119.08564	14.0
121.10133	15.5
123.08056	1.1
123.11685	3.1
128.06248	1.1
129.06998	3.9
130.07799	1.2
131.08554	18.9
131.09492	1.4
133.10114	11.8
135.11658	10.1
141.06990	1.1
142.07784	0.8
143.08528	5.7
145.10110	13.7
147.11670	5.6
149.09680	0.9
149.13251	13.2
155.08582	2.3
156.09312	0.9
157.10173	5.5
159.11664	13.2
161.13263	5.9
163.14752	1.0
169.10114	2.9
171.11708	5.0
173.13289	5.4
175.14801	1.5
177.12747	2.4
181.10095	1.2
183.11690	1.6
185.13232	3.6
187.14832	3.2
195.12001	1.1
195.13802	5.6
197.13252	2.3
199.14796	2.2
201.16458	1.2
211.14813	1.2
213.16405	1.6
223.14883	1.2
237.16328	1.2
239.18077	0.8
241.19626	0.9
261.18854	0.7
261.22046	1.5
271.20636	1.4
297.22156	1.3
299.23889	0.7
311.23553	1.3
419.33130	2.3
437.34164	11.2
455.35397	3.9
473.36362	2.6
493.37485	0.9
511.37616	6.2
529.38837	100.0
529.50110	4.6
530.39264	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01858	2.5
55.05256	1.4
55.05506	19.3
57.03430	3.9
57.07071	3.2
59.44249	1.0
65.03932	3.0
67.05498	56.6
69.06713	1.7
69.07063	20.5
70.98820	2.5
70.99171	0.9
71.04989	3.4
75.92458	1.1
79.05485	50.5
81.03416	3.0
81.07050	70.3
82.17802	1.0
83.04984	3.5
83.08611	10.1
85.06535	3.1
91.05475	30.1
91.62644	1.0
93.07034	54.9
94.07360	1.5
95.04964	7.4
95.08597	29.8
97.06526	6.0
97.10159	3.1
99.08099	2.4
102.09201	1.1
105.07020	19.0
105.07676	1.8
107.04925	1.1
107.08582	28.6
109.06481	2.1
109.10139	10.4
111.08080	5.2
117.07014	10.3
119.08562	14.9
120.86388	1.1
121.10132	22.9
123.11683	2.6
128.06133	1.3
129.07005	2.1
131.08551	16.9
133.10129	12.3
135.11691	11.9
143.08542	3.4
145.10107	10.3
147.11661	5.8
149.13251	20.8
155.08572	1.6
157.10144	3.8
159.11661	14.3
161.13278	3.4
163.14795	2.0
169.10156	1.6
171.11708	4.8
173.13269	5.5
175.14818	2.2
177.12740	3.3
187.14859	1.6
195.13777	5.1
197.13144	1.5
199.14880	1.6
202.23177	1.2
241.28154	1.0
256.26422	4.7
261.22128	3.1
299.23648	1.4
419.32935	1.4
433.97540	1.0
437.34241	6.1
443.27759	1.1
455.34747	3.2
473.36636	1.4
511.37735	2.8
529.38843	100.0
530.39252	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	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03943	4.2
55.01854	2.0
55.05257	1.3
55.05505	17.3
57.03426	4.5
57.07057	3.0
59.04993	0.8
65.03919	2.6
67.05495	59.3
69.06705	1.4
69.07057	18.6
71.04989	3.5
71.06570	1.6
79.05481	51.2
81.03397	2.0
81.07045	65.7
82.54038	0.7
83.04952	4.6
83.08611	10.7
85.06539	3.8
91.05470	29.4
93.07030	57.6
94.07361	0.9
95.04954	6.6
95.08592	28.9
97.06528	6.3
97.10176	2.0
99.08083	2.4
103.05472	0.8
105.04524	1.6
105.07010	17.8
107.08578	31.5
109.06509	2.6
109.10139	9.5
111.08060	5.5
113.09631	0.8
115.05376	0.8
117.06998	10.1
119.08559	14.3
121.06503	0.7
121.10124	22.8
123.08022	1.2
123.11703	2.6
125.09617	1.1
129.07018	2.3
131.08551	12.3
131.73981	0.8
133.10095	10.3
135.08052	0.9
135.11659	12.2
139.11171	1.8
142.07646	0.8
143.08562	2.1
145.10085	6.9
147.11678	5.9
149.09663	1.0
149.13232	24.8
155.08540	1.3
157.10101	3.7
159.11678	12.3
161.13271	3.7
163.14761	1.4
169.10129	2.0
171.11702	2.6
173.13235	6.0
175.14819	1.9
177.12680	4.3
183.11615	1.1
185.13306	2.1
187.14812	3.0
189.16444	0.7
195.12044	1.3
195.13792	7.2
197.13268	1.4
201.16266	1.2
211.14761	0.9
213.14775	1.6
243.21135	1.7
261.22079	6.0
274.75278	0.7
297.22006	0.8
312.97696	0.7
317.24878	1.2
437.34195	5.2
455.35251	2.8
473.36121	1.0
493.36172	0.9
511.37411	1.8
529.38818	100.0
530.39038	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	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
56.05043	3.1
57.03425	3.7
67.05501	12.6
69.07050	3.3
71.05006	2.1
71.52859	2.3
71.53316	2.5
74.06075	76.2
79.05485	12.9
81.07047	14.4
83.04969	1.9
85.02889	4.1
91.05466	9.1
92.07108	100.0
93.07046	11.8
95.08588	8.4
97.02887	1.8
97.06515	2.0
101.68460	1.6
105.07024	6.7
107.08577	8.7
109.10141	4.1
117.07021	4.3
119.08556	7.6
121.10152	5.1
128.07150	2.0
131.08585	4.6
133.10129	4.9
135.11649	2.3
139.07405	1.6
145.10155	6.6
159.11674	3.2
161.13202	2.5
161.72774	1.8
180.05731	1.8
201.16368	3.5
201.21307	1.7
254.31044	1.9
288.48828	1.7
320.25854	2.3
325.34940	1.9
332.25653	12.0
338.26816	2.2
350.26898	54.4
368.27942	42.4
401.81995	1.9
448.19485	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	530.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03165	2.3
53.03938	4.3
55.01850	5.1
55.05296	2.0
55.05508	24.0
57.03432	17.7
67.05494	34.1
69.03414	4.5
69.07046	8.4
69.69353	2.1
71.04964	6.5
79.05479	35.4
81.03406	75.8
81.07048	36.6
81.71719	1.8
83.04976	20.9
83.08600	24.9
85.02891	28.7
91.05470	41.1
93.07025	22.2
95.04956	28.0
95.08596	14.4
97.02901	3.8
97.06524	3.3
97.10130	3.2
98.21442	4.9
105.07002	30.9
107.04962	11.1
107.08586	8.3
109.06505	6.2
109.10143	2.5
111.04483	2.4
111.08083	15.3
113.05939	2.5
115.05466	2.3
117.07043	3.2
119.08564	22.9
121.06493	2.2
121.10138	7.8
123.00146	2.2
123.08022	4.2
125.09665	2.4
129.07008	14.2
131.08539	15.9
133.06483	4.2
133.10126	14.0
142.07729	3.9
145.10110	2.3
147.08043	3.7
147.11668	17.4
149.09590	5.4
153.56752	2.5
157.10097	18.7
165.12779	2.5
175.11160	18.9
193.12216	67.7
211.13257	100.0
226.05989	2.2
267.15887	23.7
276.27054	2.0
285.16931	80.4
346.63699	2.0
459.27377	7.9
477.28436	11.7
495.29355	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11484	0.6
66.56323	0.6
71.03876	1.2
71.04242	0.7
95.52237	0.6
105.07015	0.7
113.83369	0.6
115.05441	3.4
115.06174	0.5
117.05735	0.8
132.08096	4.0
133.06473	0.7
135.04367	0.7
142.06540	0.7
154.45837	0.7
160.07567	100.0
161.07881	0.8
163.03918	5.3
165.41222	0.6
177.10208	12.4
223.55695	0.6
261.38599	0.6
284.86963	0.6
303.67639	0.6
309.85001	0.7
341.76352	0.7
559.39691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01862	1.9
55.05494	2.9
63.16121	1.1
67.05495	3.5
69.07064	4.5
69.33128	0.9
71.04984	1.0
71.05775	2.1
73.04200	0.8
75.69456	1.0
79.05487	3.9
81.07044	11.4
83.04959	1.4
83.08590	1.5
85.02913	0.9
85.06532	3.5
89.03901	1.7
91.05469	8.3
93.07032	8.3
95.04957	4.0
95.08591	8.7
97.06537	1.1
97.10144	1.1
103.05460	3.7
105.07047	4.4
107.04929	6.9
107.08579	5.6
109.02816	1.0
109.06474	1.1
109.10158	5.3
110.21902	0.8
111.04427	3.8
115.05451	4.1
117.03356	2.4
117.05742	2.1
117.06978	1.6
118.06531	17.4
119.04949	3.1
119.08587	3.4
121.06476	8.9
121.10118	2.8
122.03641	3.2
123.04405	2.5
123.11692	3.8
125.33639	1.1
129.06978	0.9
130.06502	20.0
132.08066	18.0
133.02808	5.4
133.10106	3.1
134.03633	1.2
135.04382	3.4
135.11713	2.2
137.05957	46.1
137.09703	0.9
137.13240	2.2
139.03906	1.5
139.07497	1.4
142.06477	5.9
143.07249	3.0
144.08060	16.5
145.02831	6.4
146.05989	56.5
147.04369	1.6
147.11714	1.5
149.05957	13.4
149.13289	2.6
150.06763	4.0
151.07468	5.9
153.05458	2.1
154.06537	1.4
156.08102	2.0
157.07671	1.3
159.09158	55.3
160.07556	4.0
161.05968	18.2
163.07507	1.8
163.14865	1.2
165.05470	5.8
165.07005	3.5
167.07063	6.0
168.08076	2.7
169.07663	3.0
170.05994	11.0
170.08318	1.0
171.06467	3.5
175.07513	2.4
177.05464	19.5
178.42528	1.1
179.07008	5.5
183.06573	2.1
185.07108	7.9
187.08630	2.4
188.07040	100.0
189.07323	1.7
193.06540	3.4
202.08713	1.2
203.06992	47.4
203.17926	1.6
204.18420	1.0
205.09720	31.7
206.09660	2.5
207.10194	1.3
213.09122	1.1
215.08347	1.1
218.09712	1.3
220.13153	1.0
221.05908	4.2
225.09088	4.0
230.09569	5.1
231.07640	3.2
231.10078	1.2
232.07396	1.1
234.09073	2.3
239.10596	1.4
246.09154	3.3
247.09875	1.4
253.08565	3.7
258.09113	8.9
262.08636	2.5
263.09360	2.2
264.10199	2.2
266.11807	3.1
267.10168	3.4
275.09354	5.5
276.10129	4.3
277.11139	1.5
277.55789	1.0
278.11719	12.6
285.11142	14.6
286.08783	1.4
290.11734	13.2
292.13364	4.4
294.11240	2.8
295.09537	1.7
302.08185	1.1
307.14340	7.3
309.15997	2.7
318.11179	3.5
327.12189	7.2
335.13861	3.0
336.12250	25.8
343.89816	1.0
353.14978	11.0
361.15454	1.3
381.14560	1.8
423.29080	1.5
441.29800	2.5
459.31000	4.5
485.20685	16.8
513.19958	1.2
530.85620	1.1
531.21191	1.8
531.38397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2948
Annotation	Kadcoccilactone G
Peak:m/z	Relative Intensity
53.03928	3.2
55.01867	15.9
55.05502	22.1
67.05499	22.3
69.03414	5.4
69.07054	6.0
71.05000	3.9
79.05479	22.7
81.03412	11.2
81.07058	25.3
83.04980	6.1
83.08609	12.7
85.02907	2.8
85.06543	3.8
86.89035	2.3
87.24209	2.7
91.03935	2.6
91.05473	24.4
93.06538	3.1
93.07011	15.3
95.04961	14.2
95.08609	16.0
97.02828	3.3
97.10175	14.9
98.20728	4.6
101.82363	2.7
105.07033	20.7
107.04948	7.2
107.08595	7.0
109.02880	39.6
109.06499	5.8
109.10143	5.6
115.05402	3.3
117.07018	8.6
119.04943	15.9
119.08556	9.7
121.06479	11.3
121.10109	6.4
123.08035	5.1
123.11633	3.3
125.09638	13.0
129.07007	9.8
129.45961	2.3
131.04927	10.1
131.08545	11.6
133.06468	10.8
133.10104	4.3
135.04385	3.9
135.08029	4.7
135.11662	3.5
141.06995	6.3
143.08603	4.8
145.06523	7.7
145.10124	7.0
147.04428	16.0
147.08008	6.7
149.09563	4.3
151.03897	5.7
155.08521	6.9
157.06473	5.8
157.10161	3.5
159.08006	5.5
159.11656	3.2
160.05132	4.4
161.05968	70.1
161.09601	4.6
166.15417	2.5
167.08551	4.5
169.10165	5.7
171.04436	3.9
171.08012	5.1
171.11693	2.6
173.05963	7.0
173.09601	4.0
175.07530	3.1
183.08105	4.0
185.06009	2.4
187.07463	6.1
189.11165	14.9
197.13190	3.6
225.12671	6.1
229.65613	3.1
243.13832	15.6
253.12219	4.9
259.13248	6.3
269.15393	3.7
271.13373	10.8
273.14749	16.5
287.16611	2.9
289.14297	100.0
299.16263	4.4
313.14377	3.7
325.17868	3.5
327.15854	17.5
345.16876	20.8
411.25421	2.8
421.23624	19.8
439.24768	62.9
457.25781	18.4
495.27255	5.2
513.21313	4.1
513.28455	49.7
531.29327	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	531.2947
Annotation	Ganoderic acid theta
Peak:m/z	Relative Intensity
55.05498	33.0
56.27911	11.9
67.05483	59.6
69.07037	18.2
71.10394	28.5
71.10752	18.7
72.49571	13.5
78.06412	12.9
79.05464	40.6
81.07044	69.5
82.07490	12.0
82.11421	13.8
83.04951	38.3
89.76796	12.7
91.05455	60.3
93.07041	94.7
95.04963	30.1
95.08607	100.0
96.60410	13.3
97.06480	23.4
105.07002	73.9
107.08575	59.5
109.06478	38.8
109.10142	41.5
111.04462	14.6
111.08074	26.4
117.06985	27.3
119.08540	51.6
121.06481	22.9
121.10149	34.4
123.07969	17.8
129.06937	27.6
131.08545	62.2
133.10104	50.3
139.07526	21.1
143.08502	41.6
145.10085	86.3
147.08002	31.9
147.11646	33.8
149.09673	16.5
155.08560	36.5
157.10077	53.6
159.07986	29.9
159.11658	51.7
161.09583	26.7
169.10117	34.7
171.11685	16.9
171.93269	15.3
173.09584	30.2
173.13220	20.4
175.46005	13.1
183.11688	31.3
185.09511	25.7
187.11131	32.6
187.14845	24.5
189.12750	18.2
195.11682	23.9
197.09508	16.3
201.12718	23.6
213.12735	32.3
219.13829	23.6
227.14285	21.3
241.12192	23.8
245.15182	23.0
257.15411	19.5
263.16403	37.9
309.18585	17.7
413.24835	20.2
421.27405	15.1
431.25626	31.2
449.26779	38.7
459.25198	57.2
477.26050	63.5
495.27267	35.1
513.28314	48.5
526.13599	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	531.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01857	6.2
55.05507	25.7
56.19267	1.9
57.03426	7.1
57.07072	3.4
65.03926	5.8
65.54979	1.7
67.05497	100.0
68.05830	1.7
69.03439	3.4
69.07061	27.3
69.23735	20.1
71.04989	5.5
79.05484	64.5
80.05819	2.3
81.03402	6.1
81.07047	90.0
82.07374	1.9
83.04974	12.9
83.08616	10.0
85.06535	6.8
91.05470	73.7
93.07033	70.2
95.04954	14.3
95.08593	43.8
97.06517	7.6
97.10172	5.3
98.21433	4.3
99.08105	3.0
105.07013	62.4
106.07375	3.3
107.04910	2.2
107.08582	60.7
109.06506	9.0
109.10146	77.7
111.08070	3.8
113.06015	4.4
115.05437	2.2
117.07010	11.7
119.08573	25.6
121.10134	27.7
123.08046	4.7
123.11707	12.3
125.09651	4.6
127.07561	4.1
129.07018	5.4
131.08566	20.5
133.10114	88.8
135.11687	20.0
137.09572	3.1
143.08546	8.6
145.10101	14.4
147.11690	9.1
149.09648	2.7
149.13220	9.4
151.11145	42.2
157.10152	3.4
159.11653	10.5
161.09592	3.9
161.13277	5.3
163.14761	2.9
169.12212	8.9
170.89877	1.9
171.11641	3.5
173.13235	9.5
175.14842	2.7
179.10706	4.3
187.14767	3.6
193.12134	2.4
195.00348	11.6
195.13725	2.3
199.14879	2.3
206.05771	2.5
215.12756	4.3
227.66016	1.8
229.14355	2.2
232.12466	2.2
243.21147	3.6
253.14333	69.7
261.22064	16.3
271.15179	2.3
277.21780	2.2
315.23065	2.0
317.24942	5.8
387.84363	2.1
421.30994	4.4
433.88318	2.3
439.32086	8.5
457.32959	6.0
513.35718	20.0
531.36810	94.5
532.36859	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	531.3675
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
53.03921	3.3
55.01846	5.6
55.05256	2.8
55.05504	38.2
57.03429	16.3
57.07055	4.0
64.07687	1.7
65.03923	5.3
67.05495	77.6
69.03412	2.6
69.07059	23.8
69.34313	9.5
69.34735	8.7
71.01332	2.4
71.04993	6.6
73.70155	1.8
79.05481	67.6
81.03387	2.8
81.07046	66.0
83.04963	8.1
83.08616	18.1
85.06535	6.2
91.05466	60.3
93.07030	63.7
95.04958	7.6
95.08594	43.1
97.06512	9.0
97.10166	15.9
98.20638	2.9
99.08091	3.7
103.05437	1.8
105.07016	58.4
107.08574	42.4
109.06509	4.6
109.10139	23.3
111.08068	5.3
113.09557	1.9
115.05431	2.4
117.06985	22.8
119.08559	47.5
121.06513	3.8
121.10131	26.3
123.08028	3.9
123.11716	5.8
125.09648	9.2
128.06200	5.1
129.06999	15.8
130.07745	2.4
131.08545	44.5
133.06438	1.9
133.10106	46.4
134.68602	1.8
135.08044	2.2
135.11676	33.0
137.09634	4.6
141.06992	4.7
142.07722	3.5
143.08542	24.6
145.06459	2.7
145.10104	43.9
147.08061	3.0
147.11670	26.5
149.09584	4.3
149.13240	10.6
151.11166	4.5
155.08548	11.4
156.09355	3.6
157.10120	22.5
159.11674	34.5
159.77359	2.0
161.09668	2.6
161.13240	19.9
163.11174	5.9
163.14786	4.8
165.12762	2.1
167.08551	3.2
169.10130	13.8
169.12253	2.3
171.11673	27.2
173.13217	25.7
175.11211	2.1
175.14819	9.0
179.10654	2.3
181.10129	6.7
181.12195	5.5
183.11705	14.7
185.13191	22.6
187.14799	12.7
189.11194	5.8
189.12721	2.3
189.16377	2.8
195.11699	7.8
195.13737	1.6
197.13277	10.5
199.13232	2.2
199.14749	10.8
201.12717	2.4
201.16367	3.6
203.14389	2.0
209.13249	6.1
211.14876	6.4
213.16341	4.1
221.13237	2.2
223.14821	4.2
225.16455	3.2
227.12697	4.3
235.14778	3.2
237.16440	3.7
241.19487	12.6
253.14296	5.3
253.19673	2.3
255.15846	23.6
257.18936	2.5
259.20523	32.6
261.21997	7.2
269.22705	2.0
271.20724	1.9
273.21936	2.4
277.21518	2.5
283.20541	4.3
285.18475	2.2
285.22052	3.0
287.23688	6.5
297.22003	4.1
299.23694	3.5
301.21783	2.7
306.37878	2.3
309.22070	3.8
311.23990	2.3
323.23477	2.6
327.23306	2.7
333.24246	13.7
393.31210	4.6
401.21832	1.9
403.29813	7.8
409.30902	7.0
411.32611	10.5
421.30948	25.1
429.33832	2.9
439.32010	23.9
447.34421	2.1
457.33115	19.9
478.52911	2.0
483.34454	2.2
485.36188	7.0
495.34531	8.4
501.35477	6.0
503.37143	27.7
513.35675	100.0
514.35687	3.2
531.36694	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81455	1.3
53.03917	4.3
55.01854	6.6
55.05503	20.0
57.03404	3.7
57.07048	3.1
64.80977	1.0
65.03918	4.3
67.05493	93.8
68.05809	1.5
69.03403	2.9
69.07056	21.9
71.04969	7.1
71.27275	1.7
79.05480	56.3
81.03387	4.9
81.07043	90.8
82.07361	2.3
83.04971	8.5
83.08615	7.8
85.02887	1.7
85.06535	8.6
87.04459	2.6
91.04884	2.1
91.05466	60.3
93.07027	65.5
95.04961	10.3
95.08594	32.6
97.06510	6.4
97.10135	3.4
99.04411	4.0
99.08031	3.0
105.06289	2.2
105.07011	57.5
107.08578	58.4
109.06518	7.8
109.10138	85.3
111.08037	4.1
113.05945	3.3
115.05437	1.3
115.07555	1.3
116.47094	1.3
116.47924	1.1
117.07004	9.8
119.08561	14.8
121.06531	1.2
121.10130	19.1
123.08034	1.7
123.11680	17.1
127.07526	4.6
129.06961	2.3
131.08553	17.8
133.10110	100.0
134.10416	1.4
135.07948	1.3
135.11684	18.0
137.09534	1.3
137.13266	1.6
143.08514	3.9
145.10066	10.8
147.11649	7.0
149.09532	1.8
149.13231	9.7
151.09961	3.0
151.11162	50.2
153.12738	1.7
157.10048	2.4
157.69370	1.2
159.11667	6.6
161.09602	2.1
161.13251	6.1
163.14792	3.2
169.12190	12.3
171.11682	3.0
173.13232	6.4
175.14798	2.4
177.16315	2.2
179.10635	2.5
183.11610	2.0
185.13243	2.0
187.14778	3.5
200.53304	1.1
201.16446	1.5
215.12732	4.8
233.22545	1.8
233.32806	1.1
243.20981	5.3
253.14313	87.5
254.14648	1.6
261.22092	24.1
271.15381	2.3
315.22958	1.8
317.24606	5.4
411.32541	1.8
421.31201	2.4
439.31802	6.2
457.32813	7.4
513.35565	16.3
531.36737	85.5
532.36859	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	531.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01839	5.0
55.05503	19.2
57.03404	5.4
57.07048	4.1
63.37169	1.3
63.52642	1.2
65.03914	4.7
67.05495	85.5
69.03397	3.3
69.07059	20.5
71.04979	7.4
79.05480	52.1
81.03391	5.1
81.07045	81.5
83.04970	11.7
83.08607	7.1
85.00166	1.2
85.06531	8.5
85.56731	1.2
87.04448	3.0
91.05467	60.3
91.44012	1.3
93.07028	55.7
93.07619	3.0
95.04964	10.2
95.08595	33.9
97.06486	4.6
97.10117	2.0
98.20697	2.6
99.04422	2.7
99.08050	2.1
103.05392	1.2
105.04488	1.6
105.07014	54.1
107.08575	55.9
109.06484	7.8
109.10143	76.7
111.07999	1.6
113.06017	3.2
117.06987	9.5
119.08568	17.7
121.10116	21.0
123.08028	2.8
123.11678	11.3
125.09636	1.4
127.07500	3.0
128.06218	1.3
129.06976	3.2
131.08548	14.1
133.10109	84.5
135.11684	17.4
139.11200	1.3
143.08516	2.7
145.10115	9.5
147.11661	7.3
149.09592	2.1
149.13275	7.4
151.11154	40.9
153.12595	1.5
157.10080	2.0
159.11702	8.3
161.09618	2.6
161.13196	5.5
163.14737	2.6
169.12215	10.4
171.11682	2.2
173.13213	5.4
175.14764	2.7
179.10631	2.8
185.13110	2.1
187.14709	3.1
197.11639	2.2
215.12686	5.5
243.20949	4.1
253.14322	100.0
254.14503	2.3
261.22086	21.4
271.15262	3.6
317.24619	4.8
393.31015	1.3
411.32370	2.5
421.30936	2.1
439.32037	6.0
457.32928	5.5
463.07053	1.3
513.35620	14.4
531.36658	62.5
532.36926	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	532.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79004	1.7
53.03939	3.6
55.05500	12.7
57.03426	5.7
57.07077	3.6
61.02917	5.1
63.29058	2.0
65.03924	2.8
67.05497	77.2
69.07056	12.5
69.36954	12.0
69.37382	6.5
69.39605	1.8
71.04991	1.8
73.02915	2.7
79.05050	3.3
79.05486	38.1
81.07046	79.9
83.08610	7.3
85.02905	4.7
85.06548	3.2
91.03933	2.2
91.05460	27.7
93.07030	57.6
95.04969	4.6
95.08595	64.5
97.02882	2.4
97.06530	3.1
97.10173	2.2
99.08083	4.7
99.17392	1.7
105.07016	17.0
107.08572	32.6
109.10142	38.5
111.08071	2.1
111.11694	2.1
117.07013	8.2
119.08568	17.8
121.10132	37.3
121.45801	2.0
121.46738	2.2
123.08044	2.4
123.11681	16.0
131.08553	21.4
133.10081	15.7
135.11671	28.2
137.13243	8.1
145.10126	16.0
147.11678	8.6
149.13232	22.1
151.14880	2.7
159.11705	14.1
161.13261	10.7
163.14796	13.0
165.12772	3.0
173.13255	18.1
175.14719	2.5
177.16341	5.1
187.14815	8.5
210.54387	1.8
215.17993	2.2
233.22745	3.4
243.21100	31.6
261.22104	100.0
263.23560	3.1
279.01642	1.9
279.23178	4.3
301.82687	1.7
332.84760	2.0
335.25763	28.6
338.67212	2.4
353.26810	29.1
489.71606	2.4
532.36829	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	532.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05504	13.7
57.03426	5.7
61.02926	5.4
65.03947	2.9
67.05499	64.1
68.05813	5.5
69.03423	4.2
69.07050	13.6
70.25217	9.5
71.04980	3.5
79.05485	41.0
79.05904	4.7
80.05816	3.0
81.07043	73.3
83.08596	6.9
85.02915	4.7
85.06528	3.3
91.03936	3.7
91.05473	26.7
93.07031	56.9
95.04959	3.4
95.08592	62.4
97.10167	5.0
99.08092	3.3
105.07024	21.4
107.08579	38.7
109.10150	29.0
117.06992	8.2
119.08555	14.4
121.10133	31.2
123.08085	3.2
123.11706	18.4
125.09664	2.8
131.08536	17.6
133.10126	16.6
135.11690	29.6
137.13232	6.5
145.10095	15.3
147.11681	14.0
149.13229	25.1
151.11237	2.8
151.14711	2.6
159.11655	15.6
159.50041	2.3
161.13268	12.3
163.14795	15.8
165.12772	2.7
173.13232	19.2
175.14777	4.0
177.16385	8.0
187.14784	9.7
233.22676	2.9
243.21048	32.9
261.22104	100.0
262.22525	4.1
279.23129	4.1
290.71118	2.4
335.25882	16.1
353.26874	26.2
514.36194	8.2
532.37006	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	533.3831
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03933	5.8
53.70987	2.6
55.01858	6.6
55.05503	41.3
57.03418	13.1
57.07056	9.6
65.03922	5.6
66.58620	3.0
67.05497	100.0
69.03413	3.2
69.07062	29.8
71.04975	8.3
71.08575	3.3
74.09707	5.6
75.94302	2.7
79.05038	4.6
79.05480	58.0
81.03400	9.9
81.07049	97.3
83.04965	6.8
83.08611	26.7
85.06535	4.0
91.05468	50.4
93.07040	70.6
95.04946	10.4
95.08595	70.0
97.06514	11.2
97.10170	21.0
99.08096	3.4
102.96241	3.4
105.07023	37.8
107.04942	4.2
107.08589	61.9
109.06479	5.2
109.10142	44.9
111.08062	6.1
115.05385	3.2
117.07045	14.0
119.08566	33.2
121.10114	31.1
122.58983	2.6
123.11650	16.6
125.09616	11.8
129.07001	6.3
131.08560	25.6
133.10118	35.8
135.08026	4.1
135.11691	45.2
142.07776	4.2
143.08548	12.4
145.10115	28.5
146.03049	3.0
147.11655	20.1
149.09648	3.6
149.13232	12.3
151.11197	6.6
153.12723	4.5
155.08502	4.8
157.10072	12.2
159.11661	17.8
161.13243	10.5
163.11185	7.5
163.14778	5.6
169.10057	6.0
171.11647	10.6
173.13245	16.2
175.14798	10.1
181.12160	7.9
183.11658	5.0
185.13226	5.4
187.14722	10.3
189.11191	10.4
189.16252	4.0
195.00296	3.1
199.13174	3.5
199.14861	7.2
223.14716	3.5
227.12761	9.2
229.14328	5.1
229.62404	3.4
233.18958	4.5
253.14302	4.8
255.15898	20.6
259.20490	4.0
261.22147	19.6
273.22110	7.9
279.23294	3.4
285.22415	3.3
287.23483	5.3
289.25128	3.4
329.24731	3.5
335.25754	20.3
347.25616	4.0
369.85846	2.9
405.31494	3.6
423.32813	16.3
440.73804	2.9
441.33542	21.8
459.34845	15.7
489.35468	3.9
497.36108	7.0
515.37280	94.1
516.37103	3.8
533.38422	55.4
549.48218	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	533.3833
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03931	4.7
54.99820	2.3
55.01864	4.5
55.05509	31.0
55.38123	2.5
57.03421	14.1
57.07063	3.5
60.41681	2.5
62.05019	2.2
67.05495	100.0
68.77621	2.6
69.03416	3.4
69.07066	26.9
70.82456	4.4
70.82826	5.3
71.04977	4.1
71.08627	3.0
72.08115	2.3
73.72150	2.4
79.05485	59.6
79.25478	2.5
81.03394	10.9
81.07050	92.5
83.04967	8.7
83.08614	19.1
85.06544	5.0
91.05476	38.2
93.07032	69.3
95.04961	9.3
95.08593	62.1
97.06512	9.9
97.10159	15.7
105.07026	37.9
107.08583	50.3
109.06499	5.2
109.10139	39.1
111.08103	2.8
111.11742	3.0
117.06997	14.6
119.08561	30.4
121.10124	26.9
123.11695	11.8
125.09615	10.8
129.06940	6.0
131.08530	27.3
132.07582	2.5
133.10123	31.3
135.11674	38.3
137.09634	3.5
137.13251	4.1
143.08585	8.4
145.10120	21.5
147.11659	21.0
149.13254	11.8
151.11176	4.9
153.12703	3.1
153.89911	2.3
157.10120	10.0
159.11688	17.6
161.13240	8.8
163.11188	5.2
163.14813	3.6
165.43333	2.6
169.10135	4.4
171.11659	8.5
173.11893	3.8
173.13173	13.9
175.14841	4.7
181.12192	10.3
183.11665	3.2
185.13260	7.4
187.13257	2.9
187.14815	7.1
189.11198	5.2
189.16309	3.1
199.14827	4.9
227.12733	12.7
229.14343	3.0
233.19069	3.3
243.15814	2.9
253.14319	6.3
255.15805	16.1
261.22144	20.4
273.21988	3.5
275.20352	3.1
287.23669	4.7
289.25299	6.8
291.23331	4.3
299.23730	3.2
317.24689	5.8
335.25757	15.1
347.25742	3.7
370.45187	2.7
405.31650	5.5
423.32483	19.2
441.33603	13.7
459.34277	17.7
497.36520	3.4
515.37225	91.8
533.38428	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3835
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
55.01859	9.4
55.05502	35.4
57.03429	9.6
63.78589	4.5
65.03911	5.2
65.51604	5.0
67.05498	100.0
69.07058	24.2
71.04990	6.1
71.53928	8.1
79.05474	53.0
80.51474	4.3
81.07048	78.5
83.04969	6.2
83.08601	12.6
91.05459	49.9
91.35325	4.5
93.07043	65.2
95.04959	5.7
95.08598	48.5
97.06506	8.1
97.10136	18.2
105.07040	30.6
107.08581	31.7
109.10131	44.7
111.08083	5.6
117.07012	11.2
119.08569	30.1
121.10132	28.5
123.11674	13.0
125.09605	8.0
129.06958	8.2
131.08531	28.0
133.10104	33.4
135.11685	29.2
137.09584	6.3
137.13229	5.1
143.08566	11.3
145.10109	18.8
147.11671	15.5
149.13220	8.1
153.12717	5.3
157.10092	7.6
159.11678	18.1
161.13229	10.2
163.14798	6.0
171.11757	9.8
173.11732	5.0
173.13266	11.9
183.11620	7.5
185.13214	7.0
227.12639	10.9
229.14211	5.8
255.15900	9.3
259.20685	5.9
261.22101	8.0
273.22281	5.5
287.23572	9.5
291.23297	6.2
335.25824	9.7
345.25726	4.8
423.32462	16.1
441.33734	11.9
459.34866	11.1
497.36053	6.9
515.37286	72.8
533.38440	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.1
61.38456	8.2
67.05490	38.6
71.53455	15.1
75.82931	8.8
79.05505	23.4
81.07043	43.0
83.04999	11.8
91.05450	32.7
93.07032	48.4
95.04970	12.7
95.08595	100.0
97.06503	14.7
104.10736	11.8
104.76275	9.5
105.07024	24.6
107.08582	44.0
109.06495	18.4
109.10139	31.8
111.08051	20.1
111.34663	9.9
114.10664	9.0
119.08591	26.5
121.06459	10.6
121.10120	23.4
122.04508	8.8
123.08060	19.7
131.08580	29.9
132.93971	9.2
133.10104	35.2
141.09143	9.5
143.08540	29.4
145.10100	39.9
147.11713	13.0
149.13191	11.8
157.10138	38.2
157.47592	9.3
159.08093	12.0
159.11705	27.0
165.09293	8.7
169.10092	13.6
170.94499	8.4
171.11591	16.1
173.13219	22.8
181.10220	12.1
183.11646	16.5
184.07291	33.2
185.09380	9.1
185.13223	22.0
187.11189	13.8
187.14825	16.3
191.51260	9.3
192.21645	9.9
193.10078	8.4
195.11729	20.6
197.13252	23.2
199.14841	12.9
201.12698	17.7
209.13261	19.4
211.14758	15.0
221.13222	16.3
225.12825	13.4
235.14879	14.4
237.16367	11.6
288.18680	10.0
306.19916	10.0
323.20114	16.3
341.20987	16.5
343.94064	9.8
405.24026	13.1
417.27740	22.5
419.29294	16.7
421.27658	11.9
435.28940	33.8
445.27396	38.3
463.28427	44.4
481.29501	50.1
534.34259	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	534.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01852	0.3
55.05505	8.0
56.04788	0.4
56.05033	5.6
57.07073	3.8
58.06578	0.9
59.66963	0.3
60.04519	4.1
65.03933	0.6
67.04229	0.6
67.05496	15.0
68.05011	1.2
69.07062	10.1
70.06586	2.6
71.03968	0.6
71.08627	2.0
71.71101	0.3
79.05485	12.1
80.05019	4.5
81.05797	1.7
81.07049	13.2
82.06571	8.1
82.07056	0.4
83.04939	0.4
83.08609	6.0
84.08136	0.6
85.10158	1.0
86.06055	0.5
86.40588	0.3
91.05472	11.3
93.05796	0.5
93.07032	13.0
93.07625	0.7
94.06559	22.7
95.04937	1.8
95.06740	0.6
95.07340	10.4
95.08595	10.2
95.09056	0.2
96.08126	6.2
97.06521	0.4
97.10155	3.2
98.06050	0.7
100.07600	0.3
105.04489	0.4
105.07018	6.3
106.06500	0.6
107.07339	0.8
107.08591	7.0
108.08110	3.8
109.10135	3.8
110.09686	0.5
111.11723	1.0
117.07014	0.5
119.08576	7.0
121.08842	0.9
121.10134	7.2
122.09666	3.0
123.11677	1.8
124.11169	0.6
125.13291	0.4
133.10121	3.9
134.09738	0.5
135.10522	0.8
135.11665	4.0
136.11189	0.9
137.13255	0.9
142.78584	0.3
147.11647	1.8
149.13249	1.2
151.14796	0.5
161.13229	0.9
163.14709	0.7
175.14816	0.3
182.18990	0.4
191.17926	0.9
193.19446	0.4
196.20642	0.3
219.21092	0.9
220.20627	0.4
233.22612	4.5
234.22179	1.2
245.22626	4.1
248.23769	0.4
248.40608	0.3
250.25275	10.6
254.24782	0.9
260.23599	0.5
262.25269	100.0
263.25626	1.1
270.28284	0.3
272.25806	5.1
275.14691	0.4
280.26328	10.0
332.56268	0.3
365.09619	0.3
400.12881	0.3
504.47787	2.8
516.47711	6.8
534.48737	4.3
552.77332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1076
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03930	0.9
55.01855	0.4
55.05508	0.3
57.03424	0.8
61.02925	0.6
64.07906	0.3
67.05460	0.3
68.99776	0.8
69.03418	5.9
69.26288	0.6
69.26690	2.4
71.01326	0.3
71.04978	0.7
72.08134	0.3
73.02909	0.9
81.03406	4.5
81.07022	0.3
85.02895	4.2
87.00812	4.1
91.03957	0.6
95.04951	0.4
97.02881	3.2
98.20772	0.6
99.04435	1.3
105.01850	1.4
105.03358	0.4
107.04934	0.4
109.02850	2.2
109.08424	0.3
111.00784	0.7
111.04414	0.4
114.37293	0.3
117.01837	0.9
121.02848	3.2
127.03062	0.4
127.03895	3.8
133.02863	0.7
135.04413	0.5
137.02325	1.1
137.05966	1.3
145.04926	1.3
147.04372	0.4
151.07524	0.4
153.01819	4.1
157.06430	0.6
159.02885	3.6
161.05968	0.8
165.01836	2.4
183.02824	1.1
185.05957	0.4
203.07069	0.3
213.05452	1.3
214.55705	0.3
231.04802	1.6
241.04959	1.1
258.05243	0.9
274.95941	0.3
287.05460	100.0
288.05844	1.9
373.13556	0.4
389.13614	0.5
461.61697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1079
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.35312	0.3
53.03936	2.2
54.94509	0.3
55.01869	1.4
57.03423	1.1
59.62455	0.3
61.02919	1.3
68.99438	0.3
68.99789	1.3
69.03425	5.9
69.69753	1.2
69.70159	0.8
70.12858	0.2
71.04966	0.8
73.02898	1.4
79.05476	0.4
81.03408	7.4
81.07050	0.5
85.02898	10.2
87.00824	4.6
91.03937	0.3
91.05489	0.6
93.07016	0.4
97.02888	3.7
98.21525	0.3
99.04449	2.7
101.13610	0.3
103.05460	0.4
105.01842	2.9
105.03365	0.4
105.07035	0.6
107.04947	0.5
109.02869	6.2
111.00761	0.5
115.05403	0.3
117.01833	0.9
121.02859	2.5
126.90694	0.3
127.03899	8.3
128.04172	0.3
129.01909	0.6
130.21754	0.3
133.02878	0.5
134.91660	0.3
137.02322	0.8
137.05937	1.0
145.04947	2.5
147.02852	0.5
147.04434	0.8
151.07480	0.4
153.00700	0.4
153.01814	3.4
157.06506	0.4
159.02895	3.6
161.05928	1.4
165.01826	1.6
175.07553	0.7
177.09071	0.6
183.02855	0.8
185.05927	0.4
203.07014	0.4
213.05415	1.1
221.80209	0.3
231.04764	0.5
231.06718	0.5
241.04898	0.7
258.05222	0.9
259.05978	0.4
287.05469	100.0
288.05841	1.6
311.12900	1.7
312.13028	0.6
343.15509	0.7
464.46054	0.3
546.18958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.1
59.04976	3.2
61.02918	4.9
67.05493	5.6
69.03423	22.7
69.51749	18.8
71.04969	3.2
71.90881	2.1
75.14320	2.4
79.05486	2.5
81.03392	10.5
81.07038	8.8
83.04964	2.7
83.08605	5.4
85.02898	53.0
85.69656	2.1
87.04475	5.8
93.07033	3.5
95.04932	8.9
95.08591	3.2
97.02895	13.9
97.06516	5.0
98.21476	3.3
98.66367	2.4
99.04419	3.9
107.08544	2.8
109.02879	4.8
109.06492	8.3
109.10145	9.2
111.08038	5.0
113.02338	10.0
113.06052	2.9
121.10128	5.6
123.04412	19.4
123.08031	7.7
123.11654	5.6
127.03896	11.7
127.07571	12.3
133.10118	4.8
137.05975	7.7
137.09583	21.9
137.94955	3.0
139.07503	3.7
139.11137	6.4
140.34050	2.4
141.05446	26.8
145.04959	7.7
149.05864	2.6
151.11116	4.9
157.08604	3.3
161.09587	4.3
163.11119	4.2
165.09102	6.8
167.06999	4.0
167.10652	4.6
177.12738	2.9
179.10663	12.6
197.11705	41.1
205.12254	7.2
222.92448	2.6
223.13251	28.2
241.14330	100.0
287.05429	20.0
302.13672	2.5
313.11765	3.5
373.13715	13.8
403.19543	29.0
456.38873	2.7
535.18921	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	535.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	1.9
55.05497	1.6
57.03434	5.0
57.07051	1.0
59.04992	1.9
61.02909	5.1
67.05470	2.7
69.03423	14.8
69.25878	11.0
69.26151	0.8
71.04970	2.9
73.02902	4.7
79.05478	2.6
81.03399	7.2
81.07051	7.7
83.04967	3.3
83.08599	5.3
85.02892	44.5
85.06519	1.1
85.12159	1.0
87.04463	3.5
91.03915	1.7
91.05457	2.1
93.07023	1.7
95.04977	5.8
95.08580	2.8
97.02881	11.6
97.06510	4.6
99.04443	3.9
99.08032	1.1
105.07017	1.4
107.08576	3.4
109.02848	6.5
109.06475	6.1
109.10149	5.4
110.06993	1.0
111.04424	1.4
111.08076	4.7
113.02355	7.0
113.05991	2.7
121.06509	1.2
121.10136	4.2
123.04401	16.7
123.08052	6.2
123.11694	3.7
125.05983	1.3
125.09603	3.0
127.03896	7.1
127.07549	13.6
129.07024	1.2
131.07022	2.2
131.08501	1.4
133.04945	1.2
133.10095	2.7
137.05963	3.3
137.09602	17.1
139.07529	3.8
139.11174	7.9
141.05444	24.6
144.63509	1.0
145.04939	8.8
149.09598	3.0
151.11121	7.4
152.05620	1.0
153.09088	1.0
157.05008	1.8
159.11639	1.2
161.09590	4.1
163.11165	3.5
165.09081	5.8
167.07069	1.9
167.10658	3.8
169.12265	1.1
177.12733	3.9
179.10661	12.1
181.12299	1.3
185.08173	1.1
195.13776	1.2
197.11708	42.3
205.12192	7.4
211.08629	1.3
223.13257	22.2
223.15405	1.3
239.11705	1.2
241.14313	100.0
242.14696	1.1
253.09755	1.6
267.11310	1.5
274.40286	1.0
292.01007	1.1
295.10837	1.3
313.11932	5.0
355.76974	1.0
372.14117	1.3
373.13867	13.3
403.19601	48.9
446.13797	1.3
517.17444	1.4
535.19171	2.1
543.73590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.9
55.05524	2.5
57.03426	5.6
58.84172	2.0
61.02915	9.1
67.05479	3.7
68.68967	1.9
69.03422	12.7
69.07045	2.3
69.82381	4.7
69.82790	8.6
70.06574	2.1
71.04961	2.3
72.08166	4.2
73.02905	10.9
79.05489	6.0
81.03414	5.1
81.07042	5.2
83.04991	2.6
85.02898	19.3
86.81371	2.2
90.29120	2.0
91.03952	4.3
91.05473	9.0
93.07042	23.4
95.04952	3.8
95.08591	3.9
97.02866	12.8
99.04450	6.6
105.07014	48.2
107.04972	2.7
107.08581	10.0
109.10178	2.5
115.03957	4.7
119.04845	2.5
119.08553	5.4
120.06044	2.3
121.10149	2.4
123.08080	6.5
127.03923	3.1
133.04985	4.4
133.06461	2.7
133.10118	44.7
135.11662	3.9
137.05949	14.1
143.08519	5.7
145.04948	5.4
145.10110	9.1
149.09564	2.5
151.03873	3.4
151.07547	7.9
151.11082	2.4
161.09598	29.4
163.03929	2.9
163.11166	100.0
167.05594	3.8
179.10654	68.1
179.12155	4.3
189.09099	16.1
201.12100	2.2
207.10144	25.3
225.11176	26.4
299.06079	12.5
492.17337	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32616	0.7
55.05494	1.1
61.21779	0.6
61.73942	0.5
67.05500	1.3
67.89752	0.6
69.07059	1.2
69.37709	0.8
69.38026	6.2
79.05484	1.1
81.07048	2.4
82.79934	0.7
84.08138	0.9
84.53549	0.6
85.02895	0.6
91.05808	1.3
93.07019	1.8
94.06575	0.7
95.04949	0.9
95.08612	2.4
95.38359	0.7
105.06994	0.9
106.06516	0.7
107.07307	4.6
107.08589	0.9
108.08109	2.1
109.10151	1.0
109.69094	0.6
120.04444	4.4
120.08067	1.1
121.08848	0.8
121.10137	0.9
122.05996	0.9
122.09659	6.2
135.06842	1.2
136.07549	1.1
136.11177	1.6
137.05910	1.0
137.59091	0.7
146.06001	1.2
148.07581	1.2
150.09126	24.0
152.07060	1.8
159.19250	0.6
161.07251	0.6
164.06972	0.6
166.08646	1.3
167.05565	1.8
176.10815	0.8
177.16353	1.2
194.08163	1.7
196.09929	1.0
197.10783	1.6
209.10791	0.8
212.09650	0.7
213.10298	0.7
223.08688	1.0
223.12421	0.9
224.09406	1.4
225.10217	4.0
226.10773	0.8
229.13156	0.7
233.10802	0.9
235.08667	1.5
236.09383	1.6
237.10191	8.6
238.10928	2.2
239.08051	1.4
239.11740	4.9
248.09378	1.6
249.10164	6.9
250.10991	3.1
251.08133	4.0
251.11794	7.9
252.08984	1.0
252.12405	1.3
253.09700	5.7
254.10345	1.2
255.11285	0.7
257.12891	0.6
261.10294	3.3
262.11002	0.8
263.08176	0.9
263.11777	3.4
265.09726	11.2
265.12845	0.9
266.10428	2.3
267.11319	4.3
269.09338	0.8
271.10760	3.9
271.14404	2.3
276.08765	0.8
277.09845	3.2
278.10483	5.2
279.07715	4.1
279.11292	12.7
280.11914	2.2
281.09244	2.0
281.12674	1.5
283.03055	1.2
283.10690	8.4
285.12097	0.8
289.09634	6.6
290.10464	0.9
291.11230	2.8
293.09244	1.8
293.12885	5.7
294.09979	5.0
294.13083	1.0
295.10742	4.5
295.13885	1.1
296.11557	2.2
297.12372	1.5
299.06259	2.6
299.10138	1.4
306.09805	0.9
307.10770	3.9
308.11700	0.8
309.12280	3.1
311.10257	6.9
311.13998	1.9
312.11069	2.7
313.11758	1.5
314.12558	2.2
317.09256	1.5
321.12296	1.3
323.10312	1.5
323.13730	1.1
324.11014	1.8
325.11960	1.0
326.12601	6.6
327.13394	8.9
335.10153	9.8
336.10629	1.1
337.11737	0.7
339.13358	65.3
340.10425	2.0
340.13861	1.9
344.97549	0.9
352.10800	0.8
354.12161	2.7
355.12860	10.5
360.17206	1.1
367.12854	47.5
368.13266	1.9
444.19244	1.3
463.21014	1.0
472.18723	12.7
476.21832	9.4
485.49921	0.7
493.38223	0.9
504.21237	100.0
505.21390	4.4
522.22321	1.8
536.24225	3.4
536.33942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01851	1.9
55.05495	3.6
57.03420	3.7
59.04984	1.8
61.02914	2.2
67.05490	2.1
69.03424	9.5
69.07063	2.5
71.01343	1.2
71.04971	2.4
71.54037	1.4
73.02883	3.8
75.21622	0.7
79.05483	4.1
81.03434	1.4
81.07049	4.2
83.04930	1.0
83.08621	0.9
85.02890	24.4
85.06525	4.7
87.04454	1.1
91.05451	15.4
93.07027	4.4
95.04954	2.1
95.08586	5.8
97.02878	10.4
100.15814	0.9
103.05486	1.1
105.07015	41.8
107.08562	9.1
109.02869	1.5
109.06499	12.2
109.10123	2.1
111.08047	1.1
115.03889	6.3
116.06213	0.9
117.06967	4.3
119.08562	44.2
121.10122	11.8
123.08052	7.6
123.11664	4.6
127.03883	5.3
129.06969	2.1
130.07747	1.9
131.08565	6.5
132.09331	1.6
133.04950	10.8
133.06483	3.6
133.10132	2.0
135.04446	1.0
137.09608	5.7
143.08548	1.3
145.04939	10.6
145.10101	14.5
147.04405	1.7
147.08063	4.1
147.11662	62.8
149.09604	8.9
151.07512	3.6
156.09302	5.6
159.08012	1.5
161.09592	1.3
161.13246	2.5
161.72044	0.8
163.03893	2.1
163.06010	7.8
163.11130	5.7
164.04268	1.6
165.12750	4.1
167.05553	0.8
171.11647	3.6
174.10368	2.8
189.12715	50.9
207.13771	100.0
223.06053	1.2
225.14899	1.7
234.60857	0.9
241.07019	1.3
259.08081	4.3
277.09198	1.4
295.10175	5.1
299.06085	1.7
321.16888	2.6
322.36945	0.9
339.18057	5.9
351.18115	1.1
369.19113	1.0
374.14108	1.6
451.06082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91892	3.8
55.05486	2.5
57.03411	5.2
59.04954	2.5
61.02907	4.7
65.03935	2.8
67.05483	7.8
69.03405	10.0
69.42702	2.7
70.90014	7.9
71.04957	4.0
73.02896	14.1
79.05460	7.7
81.03404	4.0
81.07027	4.4
85.02896	30.2
85.06513	9.2
87.04440	3.1
91.05418	13.6
93.07009	7.3
95.04951	6.0
95.08578	8.2
97.02885	15.6
97.06442	4.1
105.07015	48.2
107.08548	11.9
109.02821	3.3
109.06518	14.9
115.03918	10.9
117.06988	8.1
119.08562	55.2
121.10140	13.5
123.08071	6.4
123.11668	8.6
127.03876	10.7
131.08539	10.2
133.04956	9.1
133.06451	6.4
137.05972	7.6
137.09589	7.5
145.04926	13.0
145.10097	17.1
147.07983	4.6
147.11670	69.3
149.09601	11.4
154.12587	2.8
156.09331	7.0
163.05972	10.1
163.11169	7.1
171.11711	4.3
174.10388	2.9
189.12715	78.2
207.13773	100.0
238.58455	3.1
259.08109	12.0
267.90042	2.7
295.10165	10.2
299.06238	6.7
313.11771	3.7
314.12000	5.1
321.16687	5.9
339.18384	2.9
373.13962	6.2
374.14218	15.8
444.22537	2.8
476.69989	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	537.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.05498	12.5
66.31059	4.9
67.05490	28.5
69.07062	9.2
69.37907	11.1
69.38326	38.2
69.56454	4.3
71.04998	5.9
74.72244	5.6
78.56751	4.4
79.05460	13.8
81.07043	31.1
83.04967	42.0
91.05421	28.4
93.07035	33.4
95.04943	14.3
95.08592	55.9
97.06519	10.3
98.20708	5.8
105.07011	35.9
107.08587	28.2
109.02872	6.7
109.06497	7.8
109.10147	12.3
111.04422	23.3
111.08060	9.6
115.05424	7.1
117.06993	16.4
119.08598	25.3
121.06488	9.1
121.10112	16.2
123.11697	6.1
128.06198	9.9
129.06967	11.7
131.08604	27.0
133.06400	5.9
133.10133	29.8
135.08055	5.2
135.11594	6.6
137.05937	9.0
141.06903	11.7
142.07753	17.3
143.08536	42.9
145.10132	36.0
147.08020	8.5
147.11642	10.0
149.09540	7.6
153.06964	7.3
154.07780	8.1
155.08513	22.2
156.09253	10.3
157.10095	32.4
157.25142	5.4
159.08015	22.1
159.11694	31.1
161.13246	5.0
165.06978	12.1
166.07742	5.3
167.05504	12.1
167.08553	15.2
168.09343	6.4
169.10149	34.4
170.10951	8.0
171.11676	30.2
173.09575	17.1
173.13188	9.6
175.11163	10.8
179.08578	11.4
180.09256	5.9
181.10074	17.9
183.08002	9.5
183.11665	40.4
185.09602	19.9
185.13228	21.8
186.10329	15.3
187.11194	31.8
191.08694	6.6
193.10149	12.1
195.11678	22.8
197.09537	10.7
197.13306	6.8
199.11096	24.6
199.14774	6.7
201.12663	16.4
206.10919	7.0
207.11639	14.1
209.09608	9.5
209.13219	13.3
211.11209	6.1
213.09036	6.2
213.12711	14.0
215.14288	8.2
219.11734	8.0
221.13254	14.2
223.11131	8.3
223.14690	10.0
227.10677	18.5
229.12141	8.6
231.13744	13.6
233.13249	12.5
233.15413	6.0
235.14783	10.4
237.16110	6.3
249.16362	9.7
251.18048	7.3
263.14120	7.8
279.17392	12.8
283.15250	7.2
287.17816	5.5
299.05981	7.8
300.06128	6.6
319.16806	8.4
359.20093	5.3
401.24844	5.8
403.26413	6.5
413.24835	12.4
415.26569	8.1
419.25812	64.2
420.26392	9.3
431.25433	11.4
433.27283	36.5
441.24066	17.0
449.26727	20.0
459.25223	100.0
477.26450	31.2
519.26892	9.1
537.29425	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3027
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
62.40914	0.2
67.05498	0.7
69.23868	0.2
79.05469	0.3
81.07032	0.4
86.01559	0.3
88.43516	0.3
91.23248	0.2
93.07033	0.5
95.14535	0.2
105.06986	0.3
109.10159	0.3
131.08589	0.3
151.45869	0.2
184.07387	0.3
185.04169	0.5
185.60092	0.2
195.39226	0.2
203.05270	0.9
259.07904	0.5
301.20090	0.8
453.16754	0.3
537.30304	100.0
538.30640	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	537.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
55.54065	0.5
55.69849	0.5
65.12256	0.5
67.05477	2.4
69.07059	1.1
71.53508	1.2
77.46924	0.7
79.05475	1.2
81.07027	1.6
91.05460	0.6
95.08600	0.7
104.10706	0.9
105.06998	0.8
108.88530	0.6
109.10123	1.1
114.64383	0.6
121.10092	0.8
130.86368	0.6
135.11687	0.7
145.10059	0.9
158.86053	0.6
171.29402	0.7
173.09676	1.6
205.12262	2.3
278.89706	0.6
291.19623	0.9
300.06125	0.9
301.06891	0.7
301.20053	1.2
378.44394	0.7
417.98499	0.8
518.95880	0.6
537.30273	100.0
538.30420	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3266
Annotation	glas#24
Peak:m/z	Relative Intensity
55.05495	27.1
67.05485	43.8
69.03445	7.8
69.07053	36.0
70.56928	29.1
71.04975	7.7
79.05474	27.3
81.07052	100.0
83.01393	7.4
83.04977	10.7
83.08611	15.1
85.02900	22.3
86.57327	6.5
91.05477	31.5
93.07037	73.7
95.04940	36.8
95.08598	62.3
97.06528	16.9
97.07124	7.6
97.10153	27.9
104.91498	9.3
105.07018	49.0
107.08578	49.8
109.06516	13.4
109.10149	58.4
111.08069	8.6
119.05023	9.6
119.08570	37.4
121.10125	45.4
122.03662	10.3
123.08080	21.4
123.11706	48.1
125.09645	9.6
131.08571	13.2
133.10104	26.9
135.11659	37.5
137.05951	49.7
137.09605	11.5
143.10658	9.0
145.10098	16.9
147.11719	36.0
149.13239	22.0
151.07532	10.1
151.11153	8.5
159.11650	21.8
161.13249	16.9
163.11160	9.1
165.12677	14.6
167.07126	9.3
173.13245	13.4
177.12749	10.7
187.13226	9.9
187.14795	11.6
209.15341	19.1
275.23682	14.2
285.22079	12.8
293.24655	11.2
301.14218	7.6
303.23178	90.5
309.23972	8.3
321.24234	31.7
381.68823	7.6
537.29999	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	537.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
54.72054	3.0
55.01864	5.9
55.05500	26.9
57.03426	18.8
57.07071	43.7
67.05166	4.3
67.05498	53.3
69.07064	15.7
71.04956	3.3
71.08619	27.3
71.27267	3.7
72.55944	3.1
79.05486	64.2
81.03387	9.2
81.07046	53.2
83.04978	16.2
83.08619	16.5
85.10171	17.8
91.05470	47.3
93.07034	66.8
95.04974	23.3
95.08592	45.4
97.06525	5.1
97.10152	9.5
103.05439	3.6
103.19775	3.4
105.07016	39.8
106.28022	2.9
107.04939	7.0
107.08579	16.4
109.06470	5.6
109.10139	11.2
111.11635	3.1
117.06976	6.1
119.08594	24.7
121.10129	5.5
123.08057	7.7
123.11680	4.1
128.06218	4.7
129.06979	16.1
133.06558	3.3
133.10130	12.7
143.08549	7.3
145.10115	11.7
147.11668	48.1
158.21503	3.1
159.76622	3.3
161.09563	6.2
161.13261	10.9
171.11681	31.1
189.12727	11.8
207.13809	30.7
237.29807	3.3
239.23639	4.9
252.68105	3.3
281.17480	67.6
313.27350	93.1
360.23157	3.5
519.40399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01865	4.8
66.98890	1.3
67.05488	3.5
69.03403	1.9
69.07082	1.7
70.89684	2.9
70.90035	2.5
71.04981	1.5
77.03922	1.5
79.05489	14.5
81.03423	1.8
81.07038	5.6
85.02889	1.9
87.36788	1.4
91.05462	17.0
93.07014	5.6
94.04156	2.6
95.04957	5.3
95.08582	3.3
99.04468	1.5
103.05452	34.6
105.04469	1.5
105.07043	11.1
107.04942	76.4
107.08573	4.9
109.06525	3.0
109.10194	2.1
115.05434	13.2
116.06222	6.7
117.07040	2.2
119.04910	3.5
119.08550	2.6
120.05685	2.3
121.06467	8.7
121.10162	1.9
122.03625	7.0
123.08025	2.0
129.07036	2.1
130.85635	1.4
131.04878	13.6
131.05658	1.3
131.08545	2.2
133.06473	6.0
135.08038	17.2
135.11624	1.9
137.05959	93.5
143.04868	2.3
144.05658	10.1
145.06458	4.5
145.07533	1.8
147.04375	2.6
147.11623	1.5
148.05220	1.6
149.05966	5.0
151.03893	2.6
151.07549	16.6
157.06490	2.0
159.04453	1.4
159.08049	2.9
160.05156	3.4
161.05963	33.4
163.07516	100.0
165.05507	1.9
165.09183	2.4
167.07080	4.7
171.04393	4.3
174.06616	2.0
175.07550	15.5
175.58315	1.5
176.04713	3.9
176.08287	6.3
177.05406	10.1
177.09059	2.5
181.08568	47.5
189.05446	13.0
189.09059	4.6
190.06190	7.8
191.06978	7.3
193.08539	1.7
195.10185	3.3
203.07001	29.1
203.08589	1.9
204.07787	55.5
205.08311	2.1
217.08569	21.7
219.08098	1.7
219.10136	3.3
221.08134	3.9
237.08961	1.7
245.62930	1.4
248.08331	2.9
253.08450	1.4
261.09103	2.0
263.06946	1.7
265.08499	3.8
277.08572	5.3
291.10126	3.5
292.07425	1.4
294.08655	1.6
295.09641	1.9
297.11121	2.4
307.09491	5.2
308.10498	1.5
309.11273	3.1
311.12848	2.5
315.12161	2.5
321.11169	6.7
322.12057	2.8
323.12823	5.9
331.15289	1.5
335.12759	4.3
339.12161	4.1
340.13010	15.6
341.13779	40.9
342.14456	1.8
353.13785	12.6
355.15390	2.2
357.13272	12.3
358.13907	2.0
359.14987	3.5
366.14487	4.1
367.15402	4.6
459.17792	1.7
491.20319	3.1
503.20419	4.7
509.21664	16.1
521.21539	15.9
539.22034	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	539.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11668	0.4
52.77612	0.5
55.05502	0.6
67.05490	1.1
69.07056	0.8
69.34173	4.5
79.05463	1.4
81.07059	2.8
85.02904	0.5
91.05473	2.1
93.07019	1.4
94.04191	2.7
94.04716	0.4
95.04964	0.7
95.08584	1.5
97.10140	0.7
103.05448	1.8
105.07010	1.2
107.04947	3.2
107.08554	1.2
109.06511	1.1
109.10161	1.0
117.07053	0.5
119.04934	1.1
119.08611	0.4
121.10096	1.0
122.03632	7.5
123.11703	0.7
125.09617	0.6
131.04926	2.0
135.08018	0.7
137.05959	100.0
138.06305	2.0
145.06531	0.8
145.10046	0.6
147.08031	0.4
149.05984	0.7
149.13197	0.8
151.03952	0.7
151.07513	2.7
153.05507	0.6
157.06615	0.5
159.08038	0.7
161.05989	1.6
162.08119	0.5
163.07539	5.6
165.05571	0.5
175.07515	1.4
179.06987	1.0
181.06508	0.5
181.08594	1.7
189.09102	0.8
195.08052	0.6
199.07460	0.6
201.09097	0.5
203.07024	1.0
204.07758	1.6
211.07481	0.8
213.09091	2.2
215.10358	0.4
217.08586	0.8
223.16805	0.6
225.09067	0.6
248.08307	0.5
259.09634	1.6
261.09009	0.8
264.07797	0.6
265.08533	0.7
276.07651	0.6
277.08478	1.2
279.10263	0.6
283.09692	0.8
289.08667	0.8
290.09140	0.7
291.10150	0.7
292.10471	0.6
297.11288	0.6
302.09518	0.6
304.10480	0.9
305.11697	0.7
305.24664	1.0
306.00580	0.5
307.09567	0.7
311.12848	0.6
312.12262	0.4
317.11826	1.3
320.10339	0.7
321.11185	1.8
322.11914	0.5
323.12628	0.5
329.11389	0.7
335.12708	1.0
337.14096	0.5
339.12320	0.5
340.13013	1.5
341.13763	1.4
341.26807	0.7
348.17850	0.5
349.14307	1.7
353.13751	0.9
355.15353	0.6
365.13837	1.0
366.14243	1.8
367.15399	8.1
379.15341	2.1
397.16388	2.3
485.19604	0.8
491.20560	1.0
503.20383	1.5
521.21484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
58.85029	1.6
69.76456	6.3
69.76888	6.0
72.65513	1.7
79.05493	5.0
81.07030	3.6
91.05470	14.9
93.07022	4.0
94.04189	3.7
95.04940	3.3
95.08591	3.4
97.20428	1.8
98.21440	2.3
103.05460	3.8
105.07046	6.8
107.04944	7.1
107.08597	2.8
109.06502	4.2
115.05437	4.8
117.07006	6.0
119.04936	8.5
121.06492	6.9
122.03617	8.9
123.08053	2.1
129.07004	6.7
131.04916	6.9
131.08458	2.1
133.06493	3.6
135.04443	2.1
135.08023	5.0
137.05962	100.0
143.04900	2.8
145.06485	4.6
146.07211	2.6
147.04424	4.3
147.08035	2.8
149.05978	7.8
151.03819	3.1
151.07523	47.3
157.06453	7.4
161.05965	40.9
161.09639	4.8
163.07515	10.9
165.06996	3.5
165.09097	5.4
166.07826	2.5
167.07053	5.4
167.08411	2.0
174.06776	5.0
175.07512	38.2
177.06923	2.1
177.09055	9.8
178.07881	1.9
179.08612	1.7
185.05893	1.9
187.07544	3.6
189.09053	21.9
191.06975	4.1
191.08554	2.1
193.06474	2.2
194.07253	5.3
195.08235	3.1
195.10136	19.9
203.06927	2.1
205.06499	3.3
206.07236	2.2
207.08211	3.8
207.10176	7.2
209.09653	2.0
210.06702	2.5
213.09158	2.6
218.07288	2.1
219.08049	3.4
219.10184	3.1
220.08812	2.0
221.06009	4.9
222.06717	5.7
223.07513	3.4
225.09108	4.0
234.06805	2.6
235.07649	2.1
237.09090	11.3
248.08301	2.2
249.09032	7.4
250.06235	3.8
251.10638	2.8
253.08585	6.1
262.06244	2.2
263.10681	2.8
264.07852	2.8
265.08542	19.4
266.09418	2.8
267.10162	3.9
270.08804	3.7
277.08551	9.5
279.10144	5.8
281.08084	3.1
283.09677	8.5
284.10413	2.1
285.11227	7.9
291.10046	4.3
295.09592	2.7
296.10449	2.5
297.11206	31.7
299.12970	3.9
305.11609	5.1
308.10519	2.6
309.11163	7.6
311.12766	23.9
312.12704	2.4
313.10715	2.4
315.12244	6.2
317.13870	2.2
323.12943	11.4
325.14288	2.6
327.12323	2.7
329.13629	2.5
335.12659	1.8
337.14307	25.3
341.14127	4.2
343.15344	3.8
349.14212	5.4
355.15326	32.6
367.15424	18.2
457.39633	1.9
461.19406	3.9
479.20474	7.1
491.20773	2.4
509.21765	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	539.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
61.67280	0.9
65.03943	1.0
67.05488	1.7
69.03453	1.2
69.07050	0.9
69.42651	8.4
79.05487	3.0
81.07059	2.0
91.05472	9.6
93.07040	1.9
94.04197	2.6
95.04977	2.7
95.08605	2.1
98.21553	1.2
103.05459	1.6
105.07029	3.6
107.04958	2.8
107.08585	1.9
109.06506	2.2
109.10140	1.0
115.05445	3.9
117.06981	2.7
119.04962	5.1
119.08563	1.4
121.06541	4.6
122.03651	7.9
123.08044	5.8
128.06227	2.0
129.06981	3.0
131.04907	2.8
131.08562	1.6
132.47287	0.9
133.06529	1.3
135.08038	2.6
136.05219	1.1
137.05966	100.0
138.06306	2.1
143.04887	2.5
145.06526	1.3
146.03650	1.7
147.08064	1.7
149.05969	2.4
151.03860	1.6
151.07533	41.5
157.06488	2.4
161.05952	11.9
161.09615	3.3
163.07553	4.6
165.06989	3.3
165.09108	2.1
167.08484	1.0
170.90208	0.9
174.06741	2.0
175.07561	8.2
177.07033	0.8
177.09123	6.8
178.07796	0.9
179.08530	1.6
180.60878	0.9
181.06577	1.2
182.07202	0.9
183.08092	0.9
187.07533	1.6
189.07423	1.1
189.09079	8.0
191.07036	0.9
191.08621	1.6
191.10707	1.3
193.06465	2.5
194.07268	4.1
195.08301	2.2
195.10135	31.6
199.07411	1.3
205.06512	5.0
205.08481	1.8
207.08176	0.9
207.10184	2.4
208.08723	1.2
209.11562	1.1
210.06668	1.9
211.07497	1.2
219.08044	1.2
219.10101	1.3
221.05984	3.9
222.06709	4.7
223.07478	1.3
224.08340	1.7
225.09093	3.7
227.06784	1.1
233.05965	2.0
233.09595	1.2
234.06735	2.1
235.07570	2.3
237.09052	7.0
238.06256	1.2
239.07002	2.6
239.10690	1.4
240.07811	1.0
245.09480	2.0
249.09097	3.2
250.06207	2.5
251.07007	1.3
251.10426	1.3
253.08649	4.0
261.09088	1.2
265.08563	17.6
266.09402	1.7
267.10199	3.6
269.07993	1.2
273.08841	0.9
277.08630	4.2
279.10107	2.8
281.08118	1.0
282.08829	1.7
283.09665	6.1
285.11185	14.8
287.12689	1.5
291.10193	1.3
297.11194	33.1
299.12677	2.0
305.11655	1.6
309.11157	2.4
311.12790	13.4
313.14392	1.2
317.13895	5.2
323.12903	4.5
337.14380	4.6
341.13806	3.9
343.15369	1.9
355.15231	4.6
358.08286	1.2
403.15302	1.4
412.12509	0.9
435.18207	2.0
461.19598	4.8
479.20645	9.0
491.20505	5.6
503.20490	4.9
539.30762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
60.73048	3.4
62.35223	2.9
68.40847	3.2
69.72775	22.4
79.05498	4.2
81.07030	6.9
85.02887	7.5
91.05473	11.7
95.04958	4.2
100.49406	3.7
103.05439	8.0
105.07018	11.2
107.04965	14.9
119.04921	5.3
121.06497	6.9
122.03639	9.6
123.08015	3.5
129.06992	5.5
131.04929	10.8
131.08498	3.9
133.02855	4.8
133.06483	11.2
135.08008	5.8
135.11717	3.9
137.05960	100.0
140.35999	3.1
143.08531	3.6
145.06491	4.0
147.04405	9.3
147.07941	4.1
149.06018	6.2
151.03864	7.1
151.07516	32.1
161.05974	44.4
161.09605	7.3
163.03912	3.4
163.07506	13.5
165.05431	3.5
165.09116	8.1
175.07501	23.6
177.05363	3.6
177.09035	8.6
179.07057	5.8
189.09103	27.9
195.10162	13.5
203.06950	4.1
207.08304	5.8
207.10170	19.5
218.59245	3.3
219.08058	4.5
221.06064	4.2
222.06813	3.4
234.94379	3.2
237.09216	4.3
249.09158	4.9
251.10716	3.5
252.09474	3.7
265.08627	12.0
269.08148	3.1
277.08731	5.5
279.10019	6.5
281.07663	4.3
283.09451	4.0
285.11136	7.0
291.10080	6.5
295.09549	4.9
297.11197	17.3
309.11136	7.7
311.12863	15.2
315.12137	5.7
321.11270	5.1
323.12701	6.2
337.14346	12.3
341.13684	9.6
355.15338	14.3
366.14291	4.7
367.15393	8.8
377.08240	5.7
479.20529	6.4
498.24237	3.4
509.21240	5.3
539.11353	7.0
539.30457	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	539.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20972	2.7
55.05503	16.5
57.07038	4.0
67.05496	16.8
69.03400	9.1
69.05898	2.8
69.07058	25.3
69.48282	14.0
69.48708	12.5
71.04970	2.9
78.00453	2.7
78.20041	2.9
79.05473	22.7
81.03370	2.7
81.07050	85.0
83.04959	7.8
83.08594	10.5
85.02872	8.6
85.06516	13.0
91.05457	24.9
93.07024	39.2
94.04156	4.4
95.04946	13.5
95.08031	4.3
95.08598	52.3
97.02870	5.3
97.06521	12.7
97.10159	23.6
99.08067	8.2
100.11238	5.5
103.05441	12.3
105.06985	18.1
107.04940	17.8
107.08571	43.1
109.06482	6.6
109.10139	23.4
111.08047	9.8
111.11712	3.4
113.69611	2.9
115.05437	9.9
117.06983	9.6
119.04900	7.9
119.08549	12.9
121.06465	11.0
121.10113	24.4
122.03652	6.3
123.04404	10.4
123.08035	12.8
123.11691	53.8
124.05212	3.7
125.05968	5.2
125.09642	7.5
127.03846	3.2
129.06976	10.9
131.04892	15.6
131.08495	6.1
133.06462	7.0
133.10104	12.3
135.08029	8.4
135.11717	14.5
135.12561	2.8
137.05963	100.0
137.07028	4.9
137.09509	4.0
137.13229	7.0
138.06242	3.5
139.11142	10.3
145.06429	8.4
145.10042	5.5
147.04341	7.3
147.08009	7.7
147.11679	11.6
149.05939	9.5
149.13228	31.2
151.03912	4.8
151.07507	42.5
153.05446	3.5
157.06450	6.4
157.12192	10.7
159.08058	3.2
161.05966	63.8
161.09596	10.8
161.13188	5.2
163.07497	20.6
163.14789	3.8
165.05412	3.9
165.09117	5.9
165.12799	4.5
167.07018	67.5
173.05933	3.8
173.13214	3.2
174.06721	6.9
175.03996	4.0
175.07529	40.9
177.05327	3.2
177.09036	8.1
177.16339	11.0
181.08557	11.2
183.06648	2.9
187.07518	4.0
189.05409	4.0
189.09125	32.7
189.16412	3.8
191.06993	5.8
191.38490	3.0
193.06537	3.3
193.08354	3.1
195.08243	2.7
195.10196	15.5
195.17461	3.4
203.12616	3.2
205.08560	3.4
205.15868	5.5
207.08261	5.3
207.10144	18.8
208.08824	3.4
211.07526	3.6
217.06477	3.2
219.08090	4.4
223.16904	46.5
233.05782	3.4
235.07462	6.0
236.08258	3.6
237.18547	4.4
239.06990	5.5
240.07544	3.8
241.17928	34.9
241.19981	4.2
247.07515	4.8
249.09189	7.2
251.07019	4.5
251.10619	6.2
259.09476	3.5
261.08957	4.2
263.07031	5.3
263.10718	3.6
265.08551	6.4
267.10046	5.9
277.08578	9.9
279.10132	9.9
283.09683	5.0
285.07498	3.9
287.23520	5.7
293.08014	4.4
293.24603	8.0
295.09634	9.5
300.09784	7.6
305.11655	4.6
305.24667	32.6
307.09735	4.4
308.10284	7.3
309.11093	9.5
311.09619	4.0
311.12747	21.3
311.25775	13.4
313.10706	5.9
313.82224	3.6
323.12817	8.5
323.25815	62.9
327.12238	26.6
329.13699	5.7
337.14386	19.6
341.13901	7.3
341.26788	19.8
349.14243	5.5
355.15390	26.8
359.27917	4.3
367.15256	15.9
397.16458	3.7
410.18326	3.2
457.41562	3.5
507.19495	4.5
521.20996	5.4
539.22888	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	539.3422
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.05497	10.5
58.34308	4.1
67.05489	12.1
69.03423	7.6
69.07059	14.7
71.57462	4.7
71.57809	5.6
78.17992	3.9
79.05486	14.5
81.07048	46.6
83.08601	7.2
85.02889	6.0
85.06539	6.4
91.05437	9.8
93.07037	19.1
95.04942	6.7
95.08598	30.3
97.06544	6.2
97.10149	11.9
103.05463	7.0
105.07019	10.5
107.04956	14.8
107.08574	17.9
109.10143	19.2
119.08570	4.8
121.10122	17.8
122.03649	5.4
123.11682	15.6
125.09619	6.4
131.04944	9.8
133.06572	4.3
133.10107	7.8
135.08031	7.8
135.11697	7.5
137.05962	100.0
137.13319	4.1
138.06265	7.1
139.11153	5.9
143.10646	7.5
147.11711	5.9
149.13293	12.0
151.07532	10.1
157.12263	8.3
159.92012	4.3
161.05989	12.2
161.13211	5.5
163.07523	28.9
166.67770	3.9
181.08588	11.9
181.65106	4.4
185.11737	4.8
187.13266	6.3
189.09151	6.5
189.11009	5.2
191.07068	4.0
193.12186	4.5
203.07011	5.4
204.07829	11.6
217.08705	5.2
237.18529	11.6
293.24698	7.4
305.24667	16.1
311.25748	5.6
323.25797	21.7
340.12402	4.6
341.13708	10.8
377.16083	6.1
444.34341	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	539.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37489	2.8
53.03949	3.7
55.01865	5.8
55.05501	10.0
57.38559	4.0
61.02889	3.6
67.05498	12.6
69.03400	5.9
69.07056	13.6
69.48595	3.4
69.51258	16.3
69.51685	11.6
75.75723	3.7
79.05488	11.5
81.07053	43.6
83.04954	3.4
84.35424	3.6
85.02890	7.4
85.06527	4.4
91.05470	14.6
93.07036	19.2
95.04978	7.2
95.08609	27.7
97.10152	12.8
98.21445	7.3
99.08084	4.5
103.05477	19.5
105.07027	19.7
107.04935	46.3
107.08600	19.8
109.10162	11.0
111.08067	6.1
111.11711	4.3
115.05465	7.0
116.06230	3.6
117.06979	4.4
119.04897	4.6
119.08602	5.9
121.06495	6.6
121.10139	11.0
122.03623	9.0
123.08065	5.6
123.11704	14.6
125.09645	4.4
131.04926	12.2
131.08537	6.9
133.06458	5.3
133.10097	5.8
135.08049	10.9
135.11703	6.2
137.05965	100.0
137.13248	6.4
139.11151	5.1
144.05701	5.9
147.07947	4.2
147.11685	4.0
149.05965	5.9
149.13245	13.3
151.03944	6.1
151.07559	16.1
153.12746	4.4
157.12292	4.4
157.71063	3.3
159.07944	4.7
160.05116	3.7
161.06018	21.7
161.13266	3.7
163.07513	58.9
163.14804	3.9
165.09068	4.0
167.07007	6.0
171.04500	3.6
175.07549	9.3
177.09085	4.0
179.07114	3.2
181.08592	23.6
187.13354	5.0
189.05495	6.9
190.06242	4.0
191.06966	7.6
203.07007	17.4
204.07761	25.6
217.08623	11.7
237.09250	4.4
237.18433	6.6
262.85901	3.6
265.08542	3.5
277.08490	3.6
287.23734	5.1
293.24850	4.1
301.30798	3.9
305.24695	18.1
306.74753	3.5
309.10983	4.2
311.12683	4.1
323.25748	16.7
335.12692	4.0
340.13058	5.8
341.13779	17.8
353.13910	9.0
355.15704	3.6
367.15057	5.0
377.15948	9.5
503.20526	3.6
509.21661	5.5
521.21814	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	539.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.2
57.03455	2.9
57.06781	3.1
57.07071	52.5
59.05000	2.7
63.92061	2.4
65.03937	2.6
67.05496	66.1
69.03436	2.3
69.07062	16.5
71.04987	71.1
71.08627	40.5
79.05483	25.9
81.07049	94.4
83.04986	14.6
83.08617	20.8
85.06529	5.2
85.10177	26.5
88.07622	4.7
89.05997	6.6
91.02644	2.1
91.05471	43.0
93.07030	24.5
95.04983	4.6
95.08598	49.4
97.06524	8.1
97.10178	7.8
105.07026	25.0
107.08598	16.1
109.10155	20.0
111.08109	2.5
117.07021	4.3
121.10168	6.9
123.11694	23.3
131.08582	6.1
133.08571	5.1
133.10107	27.3
135.11674	6.5
137.13229	4.4
149.13225	8.4
151.11166	16.0
159.11710	9.3
177.12817	4.4
183.13762	22.8
195.13857	5.8
227.16501	3.7
229.46935	2.5
239.23581	12.9
256.26282	3.2
269.17496	5.0
283.19153	3.4
285.17026	9.0
313.27338	3.3
327.29181	2.7
341.26910	4.4
389.75714	2.6
495.40433	43.6
530.52722	2.6
539.43091	100.0
540.43378	7.4
540.53564	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	9.7
59.77276	2.3
62.74763	2.2
69.03425	27.6
69.07089	2.5
70.89615	6.4
85.02892	14.5
87.04461	22.6
91.05474	100.0
91.93411	2.6
95.08578	3.0
97.02888	22.6
107.04926	7.6
115.03920	31.0
133.04959	39.4
137.05949	4.6
145.04939	4.8
176.77011	2.7
179.41957	2.7
229.08614	5.4
327.91855	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	540.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77287	0.4
53.03936	0.8
55.01869	1.0
57.03431	1.1
58.57641	0.5
59.05019	0.5
59.57125	0.4
61.02921	1.5
65.03944	1.1
67.05502	2.9
69.03424	6.2
70.06592	0.8
70.33482	2.1
71.04980	0.9
73.02929	0.8
79.05482	9.0
81.03417	1.9
81.07043	3.0
83.04980	0.7
85.02898	15.6
91.05470	8.0
91.05996	0.7
93.07031	2.4
95.04956	0.8
97.02875	6.2
97.06516	4.0
99.04444	1.9
104.80746	0.5
105.07015	5.2
107.04957	2.5
107.08581	58.1
108.08897	0.6
109.02865	1.8
109.06483	2.8
109.10136	2.6
115.05455	3.3
117.07011	7.7
118.07238	0.6
119.06049	1.4
120.05738	0.7
123.04424	0.6
123.11719	0.5
125.09611	6.7
127.03896	5.7
133.76102	0.5
135.08034	100.0
136.08386	0.9
145.04942	4.6
145.06062	0.6
153.09077	6.1
163.07516	64.8
164.07912	0.9
180.08681	1.1
181.08571	50.5
182.09019	0.6
199.09625	26.1
212.13805	0.6
219.10109	1.1
307.11584	1.0
325.12701	7.1
343.13821	4.0
411.68930	0.5
472.14227	1.0
490.15146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65016	1.4
55.01859	1.8
59.96346	1.4
65.36691	1.3
69.03407	2.5
85.02882	7.8
87.38226	1.6
91.05457	8.8
95.04993	2.2
98.20744	3.3
103.05437	1.9
107.04944	2.9
107.28850	1.5
109.06535	2.0
119.04921	10.5
121.06484	4.0
122.03648	3.1
127.03895	2.4
129.06964	5.3
131.04929	3.0
135.08035	2.2
137.05957	41.5
138.56993	1.5
145.06451	2.2
146.03555	1.6
149.05972	4.2
151.07521	48.9
157.06468	6.2
161.05952	8.7
161.09592	1.9
163.07530	12.5
165.07004	2.5
165.09088	2.6
167.08571	6.0
174.06743	3.6
175.07527	5.9
177.09067	5.4
182.89711	1.5
189.09079	18.1
193.06485	2.0
193.10086	1.7
195.08020	8.2
207.10258	4.6
209.09743	2.0
212.08339	3.3
221.05986	3.0
221.09633	4.1
223.07574	6.0
224.08159	2.9
225.09125	4.6
227.10667	17.4
249.09096	3.3
253.08533	5.9
253.12193	5.9
255.10159	16.7
267.10144	4.3
269.07925	2.8
281.11710	5.1
284.10272	2.1
285.11230	13.1
287.12738	28.7
299.12787	3.2
313.14267	26.1
331.15363	100.0
332.15683	3.7
337.83850	1.8
343.15317	2.2
384.89963	1.7
426.68723	1.6
495.02164	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	540.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.8
69.81203	4.7
80.92663	0.7
85.02897	1.9
91.05458	2.7
97.02857	0.7
103.05457	8.1
107.04952	1.0
109.06500	0.8
115.05476	0.8
117.06988	2.3
119.04911	2.2
121.06463	1.0
122.03640	1.6
123.08031	1.5
128.06207	0.9
129.06979	1.8
131.04912	15.8
135.08002	1.7
137.05960	27.1
138.89151	0.7
141.46060	0.7
143.08467	0.8
149.05978	1.0
151.07523	15.3
157.06505	1.6
161.05945	3.1
162.06723	1.7
163.07520	37.4
165.06961	1.0
167.08514	1.8
174.06671	1.0
175.07501	3.5
177.09088	100.0
178.09407	1.2
189.09030	4.2
193.06432	0.9
193.10062	1.5
195.06421	0.8
195.08025	3.4
195.10149	2.3
203.10629	0.8
207.08107	0.8
209.09541	0.8
221.05960	1.2
221.09645	1.1
221.11681	14.6
223.07449	0.9
227.10641	4.1
231.31577	0.7
237.05237	1.0
252.07651	0.8
253.08559	1.9
253.12250	2.4
255.10133	3.1
267.10141	1.1
281.11636	1.5
285.11148	1.7
287.12662	6.9
299.12500	0.7
299.32269	0.8
311.12686	1.4
313.14383	5.7
331.15363	18.3
332.15744	1.4
343.15320	2.0
531.73114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86028	2.2
67.05485	3.2
70.06589	3.5
70.70385	5.5
70.70719	3.0
79.05463	3.5
81.03403	2.9
81.07021	3.8
85.02879	5.5
91.05461	9.5
93.07010	3.1
95.08556	2.2
97.02892	3.5
100.11243	3.9
103.05482	7.1
105.07043	3.5
107.04922	3.8
107.08599	2.8
109.06492	3.8
109.10157	3.5
117.07037	2.6
119.04922	7.4
129.06938	3.8
131.04915	13.6
135.08076	3.1
137.05952	37.1
149.05940	5.8
151.07539	35.8
157.06468	2.6
161.05931	6.3
163.03915	2.5
163.07513	55.4
165.09094	7.5
167.08319	2.7
175.07518	5.9
177.09085	100.0
189.09111	9.9
195.08209	5.4
195.10049	2.1
197.13559	2.4
209.09760	2.9
212.08182	2.6
215.13757	2.7
219.10014	3.0
221.09731	3.1
221.11687	22.1
223.07399	2.7
224.08302	2.5
227.10693	6.7
241.85512	2.3
241.88260	2.3
253.08647	5.3
253.11980	3.0
255.10117	10.4
281.07318	2.3
285.11240	5.9
287.12708	23.1
313.14288	19.9
317.08359	4.3
331.15363	71.9
343.15155	3.5
461.42374	3.0
540.44751	8.7
541.18713	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	540.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30904	0.8
54.61681	0.7
61.53899	0.8
64.84021	0.7
69.03410	1.8
69.22021	4.4
69.22453	4.3
85.02898	5.5
87.09224	0.8
91.05463	8.5
95.04944	1.7
97.02866	1.7
103.05456	1.6
105.06998	1.1
107.04912	1.7
108.47543	0.8
115.84869	0.7
117.07040	1.0
119.04922	7.1
121.06527	2.1
122.03641	2.2
127.03912	1.1
128.06210	1.3
129.07005	6.8
131.04930	2.4
131.08563	2.6
135.08022	2.2
137.05959	35.5
141.06981	2.2
145.05026	0.9
145.06462	1.8
149.05974	5.2
151.07521	46.8
157.06485	8.3
158.07275	1.8
159.08032	1.9
161.06004	4.8
161.09529	1.4
163.07526	11.9
165.07040	1.6
165.09125	2.4
167.08577	4.6
169.06465	1.8
170.07303	0.7
174.06750	7.7
175.07568	4.1
177.09123	2.1
178.07724	1.2
181.06400	1.2
186.06726	0.8
189.09085	24.6
191.10686	1.2
193.06505	1.6
193.10071	2.2
194.07098	0.8
195.08000	9.2
197.06044	1.4
201.09122	3.5
207.10210	2.5
209.09628	1.6
210.06750	1.2
212.08250	1.5
219.10135	39.6
221.06000	3.6
221.09604	4.2
223.07549	5.2
224.08267	1.4
225.09050	3.3
227.10622	15.8
231.07515	0.8
238.06239	1.6
238.09930	0.8
239.10599	0.8
240.07741	0.9
241.12177	1.5
249.09064	3.2
253.08560	6.6
253.12233	6.6
255.06337	1.0
255.07214	0.8
255.10149	11.7
267.10217	1.6
269.08249	1.3
269.11700	0.9
272.10391	1.6
272.94302	0.8
281.11755	3.2
285.11179	9.4
287.12735	29.3
299.12988	1.8
313.14288	27.6
322.23309	0.8
331.15350	100.0
332.15741	2.2
343.15485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94066	0.3
56.36253	0.3
57.03423	0.6
61.02912	1.0
67.05476	0.5
68.14812	0.3
69.03425	1.8
70.69003	1.2
71.58518	0.3
73.50341	0.3
79.05470	1.0
81.03393	0.8
81.07054	0.4
85.02895	5.5
86.45728	0.3
91.05457	1.5
97.02893	2.3
97.06530	0.4
99.04433	0.4
103.05429	0.4
105.07025	1.0
107.08594	6.5
109.02867	0.8
109.06521	0.5
115.05444	1.3
117.06982	0.8
117.70203	0.3
119.08565	0.4
125.09599	0.8
127.03925	1.7
128.06218	0.6
129.06985	5.4
131.04918	0.9
131.08559	6.0
135.08038	6.9
137.05954	1.7
141.06984	4.6
144.05685	0.9
145.04936	1.6
145.77521	0.4
146.07294	0.4
151.07443	0.5
153.09105	1.1
157.06476	4.8
158.07272	2.3
159.08040	5.2
160.05177	0.9
161.09633	0.9
162.07629	0.7
163.07530	6.0
169.06439	2.8
170.07269	1.5
173.05930	0.4
174.06755	12.4
175.07536	2.4
180.08661	1.2
181.08569	5.2
186.06737	3.1
187.07408	0.5
188.08278	0.6
189.09091	23.7
191.10635	1.7
199.09669	2.9
201.09093	7.9
207.10112	0.9
219.10146	100.0
220.10509	1.2
227.31758	0.4
237.11172	1.3
276.76816	0.4
279.12338	0.4
307.12027	0.4
325.12790	2.9
335.09424	0.5
343.13779	0.8
367.73529	0.4
381.15485	0.5
395.82275	0.4
541.22089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47667	0.6
61.02908	0.8
62.38953	0.6
66.85359	0.5
67.05482	1.0
69.03425	3.4
70.33736	0.6
71.54510	0.9
79.05479	1.4
81.03407	1.3
81.07022	1.4
85.02897	7.2
89.01555	0.6
91.05471	2.8
93.07047	0.8
97.02337	0.5
97.02849	3.3
97.06507	1.6
99.04355	0.6
100.43008	0.6
105.06992	1.5
107.08575	16.6
109.06482	0.9
115.05476	1.0
117.07002	1.7
125.09621	1.6
127.03896	2.3
128.06187	0.8
129.06995	4.6
131.04941	0.6
131.08568	5.3
135.08046	15.2
137.05949	1.0
141.06950	4.3
145.04935	1.6
153.09077	2.4
157.06458	3.9
158.07216	2.4
159.08035	5.2
163.07510	16.1
169.06488	2.0
170.07230	2.0
174.06741	9.7
175.07539	2.7
180.08626	1.4
181.08565	13.0
186.06755	2.9
187.07455	0.6
188.08159	0.9
189.07364	1.1
189.09077	22.8
191.10617	1.5
199.09616	4.0
201.09068	8.2
219.10138	100.0
220.10503	1.5
237.11267	0.7
307.11703	0.7
325.12756	9.4
343.13831	1.7
472.14069	1.7
490.14825	0.7
522.18152	0.7
555.07831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.5
55.01867	11.8
55.05499	23.7
57.03429	5.3
57.07065	4.0
58.06587	5.5
65.03922	5.5
66.45155	2.3
67.05153	5.2
67.05495	66.6
69.03419	3.4
69.07061	33.9
69.38822	24.3
70.45879	2.5
71.04990	4.6
79.05481	63.5
81.03409	95.3
81.07048	74.7
81.07503	4.3
83.04976	11.2
83.08614	20.3
85.06506	4.5
91.05469	80.7
93.07036	54.3
95.01297	14.4
95.04952	43.3
95.08598	49.5
97.02876	3.0
97.06525	14.9
97.10175	7.8
99.08121	3.0
105.07016	80.5
105.53569	2.6
107.04956	28.0
107.08589	34.4
108.82333	2.6
109.06506	16.9
109.10134	15.4
111.08081	10.7
117.07018	22.8
119.04970	4.3
119.08572	67.2
121.06498	9.9
121.10123	24.6
123.08086	9.9
123.11726	3.9
125.09604	6.0
128.06187	3.8
129.06978	19.1
131.08562	43.7
133.06549	6.6
133.10098	57.9
133.11624	3.4
135.08041	8.6
135.11646	14.6
137.06001	9.1
137.09612	8.0
141.06998	3.9
142.07782	5.7
143.08536	16.3
144.09369	4.1
145.06473	5.7
145.10100	26.3
147.08031	5.9
147.11673	34.2
149.09592	14.8
149.13248	7.9
151.11166	5.1
155.08543	6.5
156.09334	3.9
157.10135	18.4
159.07999	5.6
159.11668	20.2
161.09607	5.7
161.13268	12.4
163.11159	7.4
165.09105	4.3
169.10159	9.2
171.08080	5.3
171.11696	11.7
172.55180	3.0
173.09601	6.0
173.13301	10.7
175.11185	7.0
177.12659	4.3
179.14331	12.4
183.11740	8.8
185.09630	3.5
185.13300	11.6
187.11143	5.2
187.14833	5.6
187.74155	2.9
189.12776	5.4
193.10574	4.0
193.12198	18.7
195.11765	3.7
197.13269	5.6
205.12274	4.8
209.13322	4.4
211.14879	4.3
213.12753	11.3
217.12401	4.4
219.13818	3.4
219.17413	6.5
227.14363	5.2
231.13843	8.4
245.15526	3.6
257.15366	3.4
257.19003	7.9
275.20032	100.0
293.21231	8.9
307.20679	4.9
339.83615	3.4
353.24738	3.2
371.26178	5.4
445.27280	4.4
449.30405	5.8
463.28342	7.3
523.34125	3.7
541.35236	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01852	12.3
55.05504	29.3
57.03424	2.9
65.03931	4.1
65.70356	2.2
67.05496	44.8
69.03422	6.0
69.07063	18.0
69.27536	2.1
69.91252	1.9
71.53328	2.4
79.05483	32.1
81.03410	29.2
81.07047	37.2
83.04988	6.3
83.08609	15.7
84.70734	2.1
84.84591	1.8
85.02914	2.9
91.05466	32.3
91.05989	2.4
91.54402	1.9
93.07040	29.7
95.04955	19.2
95.08594	23.3
95.15777	2.1
97.02905	3.4
97.06528	9.5
97.10156	12.9
105.07020	24.4
107.04955	9.1
107.08586	19.2
109.06533	8.7
109.10155	14.1
111.08051	4.5
117.06994	12.3
119.08563	17.0
121.06483	10.2
121.10151	9.7
123.08084	4.8
123.11741	4.7
125.09633	9.3
129.06184	2.4
129.06984	14.0
131.08537	19.4
131.16806	2.3
133.06511	4.5
133.10121	12.8
135.08075	6.2
135.11693	5.5
137.09666	3.2
141.06985	5.1
142.07771	5.2
143.08562	11.5
145.06487	7.3
145.10075	14.1
147.08084	4.0
147.11670	9.4
149.09563	5.1
151.11238	4.4
155.08582	7.1
157.10158	9.7
159.08038	5.4
159.11731	7.9
161.09639	4.8
163.11235	8.7
169.10124	10.1
171.11736	6.5
173.09612	4.3
173.13229	4.0
175.11235	3.8
177.12700	3.0
179.14427	4.0
181.10223	4.3
183.11736	9.2
185.13283	4.4
189.11339	3.5
193.10629	2.9
193.12209	11.2
195.11769	4.3
197.13297	4.3
199.11153	2.9
199.14862	2.6
209.13310	2.8
211.11237	2.7
211.14980	2.6
213.12793	3.2
221.13240	2.5
223.15166	2.3
227.12732	2.3
239.18069	2.6
257.19037	4.9
275.19998	25.7
293.20920	2.6
297.22397	4.2
322.37689	2.2
325.21786	2.5
382.69534	2.2
431.29480	5.7
449.24393	2.5
449.30411	12.1
467.31577	14.3
485.32526	4.0
523.26904	3.0
523.34137	8.1
541.35364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01855	4.3
55.05505	24.8
56.85364	1.2
57.03427	3.5
57.07055	2.2
65.03915	2.2
65.67107	1.1
67.05497	25.6
69.03422	1.8
69.07072	9.1
69.30425	13.5
70.87173	1.2
72.34256	1.2
79.03961	1.2
79.05479	22.2
79.05932	1.5
81.03405	9.3
81.07045	24.1
83.04968	3.4
83.08613	10.0
87.44741	1.3
91.05473	22.4
93.07030	16.0
95.04944	9.3
95.08599	14.2
95.54047	1.2
97.06507	3.5
97.10147	10.9
105.07014	20.8
107.04945	4.5
107.08601	12.9
109.06525	2.3
109.10134	6.5
111.08085	1.2
115.05431	3.1
117.07024	10.2
119.08573	11.2
121.06509	2.0
121.10121	5.3
123.08059	3.5
125.09586	6.3
126.63828	1.5
128.06239	3.0
129.06976	10.7
131.08534	12.5
133.10118	9.9
135.08054	3.4
135.11742	2.5
141.07002	4.3
142.07787	5.0
143.08549	10.7
145.06430	1.8
145.10123	12.4
147.08022	1.3
147.11661	4.3
149.09583	2.8
153.07001	2.3
153.09029	1.6
154.07727	1.8
155.08511	8.5
156.09328	2.1
157.06531	2.4
157.10118	9.8
159.08069	3.5
159.11662	8.4
161.09583	1.7
161.13261	2.4
163.11137	2.3
167.08493	6.3
169.10127	9.1
170.10811	1.3
171.08092	2.0
171.11688	5.5
173.09619	1.9
173.13277	3.3
177.12743	1.5
179.08574	1.3
181.10112	4.7
183.08046	1.6
183.11658	7.4
185.09531	2.1
185.13226	7.1
187.11058	1.9
187.14777	1.7
189.11247	4.5
193.10237	2.6
193.12128	1.7
194.11047	1.4
195.11710	5.4
197.09589	1.6
197.13312	3.1
199.11221	2.8
199.14824	3.8
207.11682	2.2
209.13275	4.6
209.15167	1.5
211.11223	2.8
211.14822	1.9
219.11900	1.2
221.13210	3.2
223.14886	2.1
227.12805	5.2
237.16426	1.6
249.16338	1.4
251.18161	1.8
253.15755	1.3
257.18863	2.9
264.17554	1.3
265.19644	1.3
273.18991	1.5
275.20099	6.0
297.22012	7.7
299.20261	1.5
315.23285	1.8
319.20639	1.5
355.22391	2.9
361.25534	1.3
403.29745	1.7
421.30969	2.8
431.29514	7.2
449.30420	11.7
467.31580	6.8
485.32895	3.9
505.32904	1.8
513.36377	1.4
523.34033	10.6
541.35223	100.0
542.35455	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79003	1.1
53.03933	3.3
55.01870	6.9
55.05261	1.4
55.05508	18.6
57.03426	4.3
57.07071	1.6
61.43842	0.9
63.72701	0.9
65.03948	1.5
67.05502	28.7
69.03412	2.6
69.07062	14.1
71.04965	3.6
71.53361	2.2
79.05059	2.0
79.05487	28.8
81.03412	27.7
81.07050	28.0
83.04964	4.4
83.08617	11.4
85.06548	1.7
91.05475	28.4
93.07030	20.4
95.04964	15.8
95.08610	14.7
97.06532	6.8
97.07037	1.1
97.10168	10.2
103.05444	1.3
103.47158	1.3
105.04499	1.3
105.07022	23.4
105.97584	1.1
107.04940	7.2
107.08591	14.4
109.06493	6.7
109.10142	8.9
111.08081	3.6
115.05420	3.6
117.07002	12.4
119.08578	20.4
121.06477	5.1
121.10149	7.1
123.08067	2.9
123.11706	2.4
125.09616	5.8
125.76584	1.1
128.06227	3.4
129.07008	11.8
131.04944	2.2
131.08563	17.5
131.40382	1.2
133.06477	2.2
133.10126	15.1
135.08073	3.2
135.11708	3.2
137.09622	2.5
141.07001	4.0
142.07773	4.8
143.08545	10.4
145.06465	3.7
145.10107	13.3
147.08067	3.2
147.11699	6.3
149.09639	6.9
151.11185	1.6
152.06387	1.1
153.09178	1.3
154.07823	1.6
155.08554	7.2
156.09366	1.4
157.06540	2.0
157.10115	13.0
159.08063	4.0
159.11678	6.6
161.09595	3.1
161.13243	2.0
163.11143	5.2
165.06982	1.3
165.12830	1.4
167.08549	4.8
168.09323	1.8
169.06526	1.5
169.10120	10.9
171.08064	3.2
171.11642	7.0
173.09613	3.0
173.13271	3.9
175.11186	3.0
179.08537	2.2
179.14287	1.1
180.09378	1.8
181.10115	5.7
183.08061	2.2
183.11697	7.2
185.09612	3.4
185.13206	5.3
187.11172	2.4
187.14792	1.8
188.00989	1.3
189.11279	2.6
189.12752	1.8
193.10269	2.2
193.12257	8.6
195.11699	4.5
197.09627	1.9
197.13187	5.3
199.11192	2.7
199.14822	2.2
201.12769	1.6
205.12259	1.2
207.11697	2.6
209.13313	2.7
211.11134	1.9
211.14828	1.6
213.12772	1.6
219.11804	1.4
221.13203	1.8
223.14865	1.7
225.12585	1.3
225.66551	1.4
227.12608	1.7
229.19621	1.9
233.15367	1.9
239.17967	2.0
247.20619	1.7
249.14859	1.8
257.19009	5.1
267.15924	1.6
275.20087	15.0
281.18744	1.3
283.16934	1.6
291.45102	1.1
293.21094	1.8
297.22186	4.3
299.20114	3.1
313.18320	1.4
313.21796	1.9
323.20059	1.9
337.21729	2.4
355.22717	1.4
421.31012	2.7
431.29361	6.2
443.27899	2.9
449.30490	13.3
467.31567	9.2
469.00980	1.3
479.85938	1.2
485.32483	1.5
505.33047	1.8
513.35760	1.9
523.34229	12.1
532.95630	1.1
541.35242	100.0
542.35699	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	541.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.2
51.02378	1.2
53.03943	8.1
55.01861	2.6
55.05505	26.4
57.03419	2.7
57.07054	3.2
65.03934	5.6
67.05496	75.3
69.03410	1.7
69.07059	18.9
69.07445	1.0
69.27480	3.7
69.27903	2.8
70.06583	1.6
71.04971	3.8
71.08623	1.4
73.06532	1.5
77.03930	1.7
79.05482	100.0
81.03419	6.6
81.07047	66.9
83.04971	11.5
83.08610	9.3
85.06524	3.2
85.10177	0.8
88.07618	1.7
91.05470	65.8
93.07033	85.5
94.07346	0.8
95.04959	22.1
95.08595	41.6
97.06518	5.7
97.10145	4.6
99.08056	1.5
102.09187	0.8
103.05476	1.6
105.04504	2.7
105.07019	46.2
107.04962	6.0
107.07844	1.5
107.08578	30.1
108.07570	0.6
109.05306	0.6
109.06494	6.3
109.10139	13.4
109.23263	0.7
111.08095	2.2
115.05444	2.4
117.07005	14.4
118.46032	0.6
119.08562	28.9
121.06490	2.6
121.10123	20.7
123.08049	5.7
123.11693	2.5
125.09599	1.6
127.07578	1.0
128.06212	3.6
129.06993	13.9
130.07745	0.9
131.08559	11.7
133.06528	0.9
133.10115	15.3
135.08054	1.2
135.11678	12.9
137.09576	1.0
141.07008	2.0
142.07768	1.1
143.08533	8.9
145.10103	14.2
147.08017	1.8
147.11673	31.9
149.13242	4.8
151.11200	0.7
155.08540	1.9
156.09343	0.9
157.10104	1.7
159.11652	5.1
161.09644	3.1
161.13234	12.6
163.14876	0.8
169.10170	2.2
171.11671	25.4
173.13268	5.2
175.14914	1.2
177.16396	0.8
179.14351	1.9
183.11725	2.2
185.13245	2.4
187.14909	1.9
189.12706	9.8
197.13268	1.2
199.14827	2.0
207.13782	26.3
207.15692	1.4
209.13290	1.1
225.14824	1.9
256.26349	2.6
257.26633	1.4
261.22104	3.9
265.17715	0.7
266.69769	0.7
273.64169	0.6
281.17459	2.7
283.26312	1.3
311.29379	2.1
312.29767	2.4
353.80872	0.7
357.14005	0.9
431.33179	1.0
449.34195	2.7
467.35178	1.2
485.36295	1.0
523.37720	1.7
540.53564	3.1
541.38843	81.1
541.53693	9.6
542.39124	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	541.388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94176	1.0
51.02365	1.2
53.00290	0.9
53.03940	10.0
55.01861	2.8
55.05505	25.7
57.03421	2.6
57.07062	4.4
65.03925	6.5
67.05495	77.5
69.03426	2.4
69.07058	18.6
70.12910	1.8
70.13329	3.3
71.04982	4.7
71.08627	1.2
73.06570	1.3
77.03917	2.6
79.05479	100.0
81.03403	10.1
81.07041	63.4
83.04969	9.4
83.08620	10.2
85.06536	3.6
91.04624	1.2
91.04882	1.7
91.05468	64.9
93.07029	91.1
95.04955	22.6
95.08591	42.9
96.08937	1.1
97.06513	6.3
97.10155	4.0
97.85350	1.1
98.21386	1.5
99.08047	1.1
103.05439	1.7
105.04507	2.7
105.07013	46.1
107.04955	6.7
107.08577	30.9
109.06512	4.9
109.10141	13.9
111.08073	2.7
115.05435	2.1
117.06990	12.0
119.08561	27.6
121.06493	3.7
121.10125	22.0
123.08054	3.7
123.11668	1.6
127.07553	1.6
128.06210	3.3
129.06987	15.7
130.07823	1.1
131.08533	11.4
133.10115	16.6
135.11676	9.3
143.08531	10.1
145.10104	16.6
147.08026	2.1
147.11665	31.5
147.12790	2.1
149.13243	4.8
155.08530	2.5
157.10114	1.9
159.11612	5.8
161.09624	4.3
161.13249	13.7
163.14751	1.1
169.10109	2.5
169.86311	1.2
171.11673	24.7
173.13335	3.1
175.14819	1.4
179.14317	1.3
181.10062	1.8
183.11678	2.0
185.13254	1.6
189.12723	9.9
197.13402	1.7
199.14905	1.6
207.13759	24.0
217.69955	1.2
225.07159	1.2
225.14761	1.6
243.20996	1.7
261.22162	3.8
281.17465	1.5
312.29825	1.3
317.24802	1.4
335.25824	1.5
394.60904	1.1
398.87393	1.1
431.33347	1.2
449.34061	2.7
467.35538	1.6
485.36243	1.3
523.37823	2.4
541.38849	83.0
541.53552	3.7
542.39075	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	542.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05513	2.6
57.03436	2.5
61.10688	2.1
61.69307	1.9
65.27909	2.3
67.05484	13.0
69.03420	6.6
69.62646	14.5
71.04987	8.1
79.05486	2.4
81.03421	3.5
81.07039	15.0
83.04971	5.7
83.72108	2.1
85.02895	24.3
91.05465	4.8
93.07038	5.4
95.04966	3.1
95.08582	6.8
97.02885	7.7
97.06527	3.9
98.20686	4.0
103.71569	2.0
109.02850	3.8
109.10137	69.4
111.04443	11.7
119.04963	2.8
119.08583	4.6
121.10117	4.5
125.05984	18.2
127.03934	6.1
137.05942	4.0
137.09596	71.6
143.07010	25.3
145.04938	5.8
147.04356	5.1
147.08058	6.8
155.10646	31.0
160.33900	2.3
163.05975	2.3
165.09094	71.9
165.10497	4.0
183.10139	34.1
199.09636	4.8
201.11185	100.0
217.10648	13.8
220.21581	2.2
279.55695	2.3
309.13007	3.3
319.04700	3.1
327.14322	7.7
345.15277	5.7
370.66290	2.1
375.07950	2.2
395.15204	2.1
542.22949	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	543.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05561	0.8
64.37363	0.8
71.43842	1.7
78.92116	0.8
359.64304	0.9
381.07901	18.2
446.94672	0.8
491.94522	0.9
543.13159	100.0
544.13550	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	543.3314
Annotation	16-Deoxycucurbitacin B
Peak:m/z	Relative Intensity
51.02381	2.3
53.03951	4.3
55.01868	5.5
55.05505	21.5
57.03427	5.1
57.07072	3.6
61.56773	1.9
65.03942	3.9
65.91206	1.7
67.05496	71.9
69.03416	2.0
69.07056	20.1
71.04985	4.8
71.54292	2.7
79.05483	38.5
81.03416	9.2
81.07046	66.5
81.07516	4.5
82.07349	2.7
83.04968	6.5
83.08604	11.5
85.06532	3.0
91.05063	1.4
91.05466	55.1
93.07031	62.8
95.04962	16.1
95.08595	91.9
97.02894	3.3
97.06528	13.4
97.10165	6.7
99.08102	2.1
103.05450	4.3
105.07018	46.4
107.04982	4.1
107.08578	46.2
109.06498	12.0
109.10143	100.0
111.04414	2.9
111.08076	17.9
111.90349	2.0
113.06004	2.7
115.05442	6.1
117.07018	29.3
119.08576	44.9
121.06503	8.1
121.10122	33.9
123.08045	17.6
123.11684	14.1
125.09623	5.1
127.07528	2.6
128.06203	12.9
129.07002	24.4
130.07742	3.1
130.81697	1.9
131.04895	5.6
131.08545	36.0
133.06493	6.6
133.10118	35.3
135.08052	8.0
135.11673	23.4
137.05956	4.1
137.09607	8.2
137.13257	6.5
139.07530	6.2
141.06975	7.5
141.09088	6.9
142.07698	4.8
143.08543	34.0
144.09294	3.8
145.06476	5.1
145.10100	39.3
147.08035	8.2
147.11668	23.1
149.05917	2.0
149.09607	9.8
149.13252	13.0
151.07483	3.5
151.11217	3.4
153.06938	3.1
155.08554	10.4
155.10625	4.7
156.09337	4.5
157.06497	10.4
157.10080	22.6
159.08028	9.5
159.11662	27.2
161.05965	5.1
161.09619	10.5
161.13182	11.3
163.07474	3.0
163.11180	6.2
167.08511	6.1
169.06465	3.2
169.10089	14.5
171.08015	10.3
171.11693	17.3
173.09624	5.9
173.13248	17.2
175.07542	5.4
175.11200	8.6
175.14822	16.4
177.09119	3.2
177.12840	3.2
179.08643	3.1
179.14270	4.4
181.10106	5.9
182.10826	2.7
183.08080	3.9
183.11630	13.5
185.09666	5.8
185.13220	9.6
187.11130	5.4
187.14810	7.3
189.09106	17.2
189.10626	2.6
189.12770	4.0
189.16397	3.0
191.14012	2.8
193.10139	5.0
193.12222	3.7
195.08090	2.5
195.11676	8.5
195.13626	2.2
197.09624	2.6
197.13229	11.4
199.11160	4.6
199.14806	6.3
201.09070	2.5
201.12701	4.6
201.16458	4.2
203.10684	4.7
203.14313	3.2
203.17961	3.6
207.11736	3.3
209.13304	5.2
211.11122	3.5
211.14833	5.8
213.12700	5.5
213.16362	4.7
215.10637	3.6
215.14308	4.3
217.12202	5.7
217.15988	2.5
219.13734	2.3
221.13335	4.7
221.15338	2.5
223.14757	4.0
225.12701	3.2
225.16396	5.6
231.13661	3.4
231.17387	5.8
233.15201	3.3
235.14908	2.4
239.14127	2.3
239.17990	5.2
241.19456	3.1
245.15353	4.9
247.14694	2.2
249.18495	10.7
251.14232	3.4
257.18967	5.7
267.17499	2.7
275.19995	15.7
277.21661	2.6
279.21219	2.4
283.17044	3.1
285.18539	2.9
297.18600	2.6
311.20047	3.6
325.21347	2.9
361.25192	6.6
379.26346	10.8
389.25061	9.6
397.27527	2.9
407.25790	16.9
419.29379	6.0
425.26804	6.0
433.31018	4.5
437.30435	5.8
447.28949	3.7
451.32022	8.8
455.31549	15.1
465.30112	3.7
469.33118	5.4
483.31033	2.8
525.35156	9.7
543.36719	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09214	0.8
53.03930	2.4
55.01871	4.1
55.05262	1.0
55.05505	18.7
57.03422	3.3
57.07069	1.6
59.04987	1.5
67.05499	29.8
69.03427	2.0
69.07057	8.6
69.29871	7.0
69.30281	1.6
71.04978	2.5
72.61931	0.8
77.03905	1.1
79.05041	1.5
79.05483	23.4
81.03410	6.3
81.07045	26.0
83.04980	4.4
83.08600	9.1
85.02890	1.6
85.06528	1.3
91.05466	20.4
93.07034	27.0
95.04955	7.5
95.08593	17.5
95.09153	1.7
97.06522	2.5
97.10153	12.4
98.20757	1.4
98.59039	1.0
99.04450	1.1
99.08089	0.9
105.07014	16.6
107.04935	3.9
107.08588	17.0
109.06508	2.2
109.10142	8.9
111.04458	1.2
111.08056	3.8
115.05434	1.7
117.07000	12.9
119.08559	12.9
121.06498	1.5
121.10145	8.9
123.08038	2.7
123.11684	2.0
125.09616	9.3
128.06198	1.8
129.06993	6.9
130.07817	1.3
131.08551	14.5
133.06450	1.1
133.10121	9.7
135.08034	2.8
135.11678	8.5
136.11859	0.7
141.06978	1.9
142.07744	1.6
143.08553	8.5
143.39445	0.9
144.09360	1.0
145.06439	2.1
145.10107	15.8
147.08018	2.1
147.11687	6.5
149.09595	1.1
149.13210	3.4
151.11151	1.0
153.09030	1.1
153.12746	1.6
153.66862	0.9
155.08521	5.0
157.10103	7.3
159.08051	1.8
159.11673	9.3
159.84065	0.8
161.13237	3.3
163.11151	7.1
167.08530	1.9
169.10110	4.4
171.07985	1.3
171.11630	6.5
173.09654	2.5
173.13240	7.0
175.11127	1.5
175.14752	1.3
179.08475	1.0
181.10112	2.7
181.12242	1.8
183.10194	0.7
183.11592	4.6
185.09659	1.6
185.13203	5.2
187.11108	1.1
187.14842	3.6
189.11206	5.7
189.12759	1.4
191.10603	1.0
193.10185	1.0
193.12138	1.2
195.11673	1.3
197.13219	2.9
199.11153	1.4
199.14789	3.5
201.16357	1.6
207.11739	1.1
209.13272	1.8
211.13191	1.2
213.16434	1.8
215.17902	1.3
217.12172	0.8
225.16216	0.9
227.12660	9.6
259.20584	3.2
261.22177	2.2
267.15860	1.8
277.21799	1.5
283.20572	1.7
297.22256	2.6
299.20374	1.6
299.23621	10.5
301.21658	1.6
317.58295	0.9
333.24219	1.1
353.24780	1.0
357.24130	1.5
405.31577	1.1
415.30096	1.9
423.32507	1.2
433.31006	5.3
451.32220	9.6
469.32932	4.3
487.34036	2.1
487.58521	0.9
507.34445	2.2
515.37396	1.4
524.90454	0.9
525.35712	17.6
543.36749	100.0
544.37109	2.8
551.26923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01844	3.2
55.05505	12.7
57.03410	1.7
57.07053	0.9
60.54694	0.7
65.03909	2.3
67.05497	31.8
69.03399	2.6
69.07063	8.4
71.05003	3.6
71.05297	0.8
72.37648	0.6
73.02893	1.0
77.03909	1.0
79.05484	43.7
81.03397	1.7
81.06569	1.3
81.07047	33.4
83.04980	4.1
83.08614	7.5
91.05473	21.4
93.07032	60.9
95.04968	10.8
95.08593	44.4
97.02859	2.2
97.06493	3.1
97.10146	1.0
99.04421	2.7
103.05453	1.2
105.04513	1.5
105.07020	12.8
107.04948	7.4
107.08578	34.6
109.06488	2.9
109.10136	7.4
109.79562	0.6
109.84896	0.6
111.04396	0.9
111.08038	1.8
117.06999	10.8
119.08568	13.0
121.06528	5.0
121.10129	20.0
123.11662	0.8
125.05953	1.8
129.06937	0.8
130.07744	3.2
131.08525	4.7
133.10103	6.6
135.08020	1.5
135.11674	43.1
139.07495	1.9
139.11087	0.7
143.08510	1.5
145.10094	24.6
147.11641	2.0
149.13196	3.1
153.12730	1.2
159.11652	1.6
161.13202	2.2
163.11165	53.0
163.14828	1.3
164.34793	0.7
173.13229	2.5
181.12201	12.9
209.11707	1.3
227.12752	100.0
228.12950	0.8
231.90836	0.8
243.21036	2.0
261.22137	5.2
264.66467	0.8
318.84479	0.7
529.80878	0.7
543.36743	43.8
544.36908	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	543.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01866	2.9
55.05505	17.7
57.03429	6.0
57.07066	1.9
59.05005	0.8
65.03923	1.5
66.36041	0.7
67.05498	25.5
68.05827	0.6
69.03419	2.1
69.07058	8.9
70.78863	1.7
71.04984	2.2
75.08783	0.6
77.03914	0.8
79.05000	0.9
79.05479	20.7
81.03403	5.9
81.07043	22.1
83.04971	3.0
83.08604	7.9
85.06532	1.3
89.63132	0.7
91.05466	18.7
93.07031	14.8
95.04955	6.2
95.08595	15.7
95.38699	0.8
97.06528	2.6
97.10155	7.4
99.08098	1.0
105.03416	0.9
105.07021	17.8
107.04954	3.2
107.08579	10.2
109.06523	2.7
109.10149	8.5
111.08064	2.0
115.05449	0.9
117.07002	12.4
119.08569	12.6
121.06493	3.8
121.10131	5.5
123.08058	1.8
123.11710	2.1
125.09626	5.9
128.06187	3.1
129.06989	12.0
131.08551	17.8
133.06490	1.9
133.10110	8.9
135.08112	3.3
135.11691	4.5
137.09578	1.5
137.77672	0.7
141.06999	2.8
142.07773	2.1
143.08536	10.6
144.09303	1.0
145.06468	3.5
145.10104	14.8
147.08018	1.5
147.11659	6.3
149.09619	1.7
149.13228	1.2
151.11150	0.7
153.06944	0.9
155.08568	5.5
156.09349	1.4
157.06467	1.0
157.10117	9.2
159.08070	4.9
159.11676	8.8
161.09581	1.3
161.13264	3.6
163.11189	1.7
165.06908	0.7
166.07648	1.2
167.08594	2.8
169.10092	7.0
171.08055	2.2
171.11679	8.0
173.09639	2.9
173.11833	1.0
173.13202	5.8
175.11169	1.4
175.14906	2.0
179.14308	0.8
181.10089	4.1
183.11685	5.1
185.09624	2.4
185.13225	5.6
187.11169	1.9
187.13271	1.2
187.14871	1.9
189.11275	3.0
189.12781	0.8
193.10080	1.7
195.11688	2.9
196.98486	0.7
197.13278	4.8
199.11282	1.3
199.14754	3.7
201.12708	1.9
207.11766	1.4
209.13243	3.6
211.14839	2.3
213.12738	1.5
213.16306	1.1
217.15849	0.9
219.11775	1.1
221.13257	1.7
223.14844	2.4
225.16518	1.2
227.12802	3.0
229.14162	1.5
241.15956	1.1
241.19519	1.4
251.18022	0.8
257.18985	0.9
259.20590	2.7
267.16025	2.7
275.19992	1.3
283.16803	0.8
283.20624	2.2
297.22134	2.7
299.20511	1.1
299.23615	4.0
301.21713	1.4
307.20560	1.2
313.21625	1.5
315.23453	1.0
325.21744	1.1
327.23007	1.3
333.24490	1.3
335.23630	0.8
339.23196	1.6
371.25797	0.8
415.29956	1.5
423.32434	2.0
433.31012	7.8
451.31976	10.5
469.33206	4.8
507.34558	1.9
515.37292	2.8
525.35724	18.4
543.36774	100.0
544.37280	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	545.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
55.59595	0.3
58.92345	0.3
61.55977	0.3
67.05503	0.6
69.14377	0.3
69.33845	0.8
69.34259	2.4
79.05513	0.4
81.07042	0.9
86.63286	0.3
91.05476	0.5
93.07021	0.5
95.08585	0.6
96.54503	0.4
105.07031	0.4
107.08582	0.4
121.10107	0.6
125.09647	0.4
137.05965	1.1
159.11635	0.6
163.03876	0.4
203.05257	0.6
311.12570	0.4
317.17035	0.4
365.13519	0.4
370.44760	0.4
374.12323	0.4
500.15271	0.4
545.19885	100.0
546.20190	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	545.1983
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
50.49230	0.3
51.06843	0.3
69.93356	1.3
80.02710	0.3
81.07056	0.6
85.06579	0.3
93.07063	0.5
98.20860	0.3
105.07024	0.4
107.08585	0.5
119.08631	0.3
125.26286	0.3
129.87268	0.3
139.03911	0.3
227.32465	0.3
354.22607	0.3
377.01703	0.5
427.82501	0.4
515.18854	1.3
527.18848	0.4
545.19873	100.0
546.20367	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.0
53.03928	5.8
53.51770	1.3
55.01851	3.2
55.05505	25.4
57.03436	9.6
57.07057	1.7
59.83451	1.5
65.03926	4.8
67.05498	67.1
69.03416	5.2
69.07063	16.4
69.65329	3.6
69.65746	7.5
71.04977	6.0
76.12669	1.3
79.05482	64.0
79.74586	1.4
81.02958	2.9
81.03412	45.7
81.06564	3.0
81.07048	62.5
83.04978	10.3
83.08613	23.3
85.02898	21.7
85.06528	3.7
91.05472	50.7
91.06044	1.8
93.07036	59.0
95.04952	25.3
95.08598	39.2
97.06522	5.0
97.10147	8.0
98.21471	1.8
99.08070	1.6
99.11165	1.6
103.05472	1.9
105.07020	37.2
107.04940	4.4
107.08582	27.7
109.06549	7.3
109.10143	18.2
111.04454	2.3
111.08068	10.2
115.05476	1.6
117.06985	11.6
119.08563	27.3
121.06445	1.6
121.10129	26.4
123.08029	2.3
123.11732	4.4
125.09641	3.5
129.06969	8.4
131.08566	17.6
133.10110	18.4
135.08034	2.7
135.11674	14.3
137.09578	2.5
142.07849	2.3
143.08554	4.9
145.10097	10.6
147.08052	2.2
147.11687	18.7
149.09633	5.8
149.13217	4.9
157.10112	11.7
159.11688	6.1
161.13263	7.0
163.11206	2.4
165.12791	3.4
171.11728	2.4
173.13254	3.9
175.11166	12.4
177.12868	2.2
183.11662	2.9
185.13190	2.9
187.14769	3.4
189.11176	3.6
193.12224	50.0
199.14944	1.4
201.16449	1.9
206.96759	1.5
211.13263	54.2
211.15193	3.3
227.12782	3.6
229.14345	1.7
243.21310	1.8
244.44234	1.7
261.22159	7.7
263.33905	1.5
267.15930	7.5
267.21103	1.5
299.23709	1.5
301.25333	5.0
317.24768	2.2
335.25873	4.6
417.31644	1.7
435.32520	4.9
450.88623	1.6
453.33472	5.3
471.34354	1.9
527.37311	20.1
545.38293	100.0
546.38690	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	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08579	1.3
53.03936	4.5
55.01857	4.3
55.05252	2.3
55.05501	27.5
57.03432	11.0
57.07057	3.6
65.03927	3.8
67.05499	60.3
69.03422	4.7
69.07058	14.7
71.04982	5.7
79.05004	2.0
79.05481	56.0
81.03407	40.9
81.07043	60.0
83.04964	9.4
83.08607	24.7
85.02889	15.5
85.06528	3.7
91.05466	42.7
93.07030	50.4
95.04958	25.5
95.08590	34.9
97.06510	5.7
97.10142	11.0
97.10667	1.7
105.07014	33.8
107.04942	7.1
107.08580	27.7
109.06487	5.9
109.10126	15.7
111.08050	8.5
115.05472	1.5
117.06992	8.3
119.08565	25.1
121.06491	4.1
121.10112	22.7
123.08066	3.8
123.11694	6.5
125.09658	8.3
128.06171	1.8
129.06993	9.9
131.08549	21.2
133.10120	20.6
135.08064	3.1
135.11665	11.4
138.42480	1.6
142.07796	2.7
143.08556	4.5
145.10097	13.6
147.08026	4.3
147.11665	15.8
149.09615	5.2
149.13240	5.6
155.08556	3.2
157.10124	11.8
159.11627	10.0
161.13289	5.1
163.14807	3.5
163.51538	1.6
165.12807	2.4
169.10117	4.7
171.11646	4.5
173.13260	7.3
175.11156	10.1
175.14854	4.7
183.11815	2.5
185.13255	3.8
187.11113	1.5
187.14771	4.0
189.11186	6.4
193.12228	42.1
199.11148	1.9
199.14891	2.1
201.16240	3.3
211.13266	37.7
215.17949	1.8
227.12793	5.0
243.20956	1.9
259.41235	1.6
261.22095	8.2
267.15836	10.9
285.22101	2.5
301.25351	8.4
335.25745	8.0
359.25830	2.4
435.27362	2.3
435.32623	7.6
453.33701	7.3
471.34567	5.5
527.37225	34.2
528.37396	4.1
545.38300	100.0
546.38477	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01859	5.7
55.05259	2.5
55.05502	30.9
55.80409	2.3
57.03420	7.9
57.07066	4.3
59.04986	1.7
65.03930	3.1
67.05496	62.7
69.03407	4.6
69.07054	17.1
69.95741	3.9
69.96136	3.4
71.04984	4.9
78.52197	1.6
79.05055	2.7
79.05485	43.3
81.03404	24.5
81.06575	3.1
81.07043	60.6
83.04976	4.4
83.08604	20.9
91.05470	32.8
93.07027	35.1
95.04950	22.4
95.08590	39.4
97.06516	5.4
97.10160	18.1
105.07013	33.2
107.04942	6.3
107.08582	31.8
109.06514	7.3
109.10142	25.5
110.29020	1.9
111.08062	4.6
113.21497	1.5
117.07023	13.1
119.08570	26.4
121.06495	7.2
121.10111	18.5
123.08060	5.5
123.11683	7.3
125.09613	17.4
126.34501	2.0
128.06242	2.6
129.07014	8.1
131.08540	26.9
133.06480	4.4
133.10117	21.4
135.08037	7.0
135.11687	10.7
137.09639	2.7
139.11263	2.3
143.08569	8.0
145.06461	4.1
145.10088	17.6
147.11661	14.5
149.09644	5.0
149.13252	6.0
155.08548	5.8
157.10089	9.7
159.07985	1.8
159.11671	15.5
161.09566	3.0
161.13303	7.1
163.11172	2.7
163.14830	3.6
165.12711	1.8
169.10123	6.6
171.11668	8.4
173.13260	9.6
175.11205	3.8
175.14790	5.5
177.12703	1.6
181.10133	2.6
183.11708	4.8
185.13272	4.6
187.11209	1.9
187.14833	4.7
189.11209	10.7
189.12640	2.2
193.12247	7.7
197.13298	3.0
199.14775	3.6
201.16422	3.7
211.13174	2.2
227.12755	14.4
233.15445	2.7
247.16916	3.9
249.14847	2.2
261.18414	2.5
261.22086	10.2
267.15884	20.0
279.23108	2.8
285.22134	5.7
287.20178	2.9
299.23669	2.0
301.22028	2.1
301.25235	20.8
303.23346	2.2
335.25879	14.9
403.24826	2.4
421.25803	2.9
435.27435	2.5
435.32565	9.5
449.28857	2.2
453.33585	15.3
471.28949	2.5
471.34598	11.9
489.35550	2.6
509.36002	2.0
511.31046	1.8
527.37268	55.5
528.37634	3.2
528.65179	1.8
545.38293	100.0
546.38409	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	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01855	4.2
55.05258	2.5
55.05505	38.1
57.03435	13.7
57.07067	4.3
65.03934	4.6
67.05495	73.4
69.03415	6.0
69.07056	20.2
71.04984	8.2
77.03954	3.0
79.05482	73.9
81.03405	53.2
81.07043	78.8
83.04959	14.3
83.08607	29.2
85.02893	28.1
85.06522	3.0
91.05464	59.3
93.07029	70.7
95.04951	31.9
95.08595	48.7
95.09040	1.0
97.02856	2.4
97.06517	7.0
97.10155	9.0
98.21511	3.6
99.08050	1.9
105.07014	42.8
105.62663	1.5
107.04925	5.7
107.08582	33.7
109.06508	9.1
109.10141	21.5
111.08069	11.4
112.68814	1.5
113.05979	2.6
115.05435	3.4
117.06998	13.9
119.08566	33.8
121.06499	3.6
121.10132	30.5
123.08049	4.8
123.11674	4.7
125.09620	6.7
129.06981	13.1
131.08554	24.4
133.06535	2.0
133.10117	22.7
135.08061	1.8
135.11676	12.9
142.07764	2.9
143.08554	4.7
145.10097	12.4
147.08020	2.3
147.11658	22.8
147.32968	1.7
149.09613	6.7
149.13243	8.0
151.11198	2.5
157.10100	14.5
159.11684	6.8
161.13260	5.9
163.11166	2.5
163.14771	2.1
165.12729	4.7
169.57133	1.6
171.11650	2.3
173.13168	7.9
175.11160	13.6
175.14789	2.0
187.14801	3.1
189.11229	2.1
193.12221	46.1
193.80676	1.6
197.13191	2.2
211.13240	49.2
227.12759	5.6
261.22144	6.9
267.15909	4.8
285.22098	1.8
301.25299	6.2
317.24738	2.1
335.25876	4.8
435.32590	4.9
453.33704	5.1
471.34589	2.9
477.86975	1.7
527.37244	14.8
545.38281	100.0
546.38385	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01861	5.6
55.05253	3.7
55.05503	42.2
57.01946	1.8
57.03422	11.0
57.07052	3.8
59.04994	1.9
65.03929	3.7
66.16283	1.9
67.05496	75.4
67.62093	2.0
69.03416	6.3
69.07064	19.5
70.57732	2.0
70.58080	5.7
71.04979	5.1
78.68185	1.9
78.82082	1.7
79.05479	48.4
81.03405	27.1
81.07048	70.0
83.04974	6.0
83.08610	24.5
85.06535	3.6
86.47810	1.8
91.05466	36.6
91.12923	2.0
93.07030	44.8
95.04951	26.6
95.08592	48.5
97.06532	7.4
97.10157	32.2
98.21462	2.1
105.07019	34.8
107.04943	8.2
107.08584	31.6
109.06499	8.2
109.10143	33.3
111.08066	4.7
115.05428	2.4
117.06989	18.8
117.76523	1.7
119.08566	34.3
121.06467	10.2
121.10115	17.7
123.08047	5.3
123.11675	10.1
125.09626	18.4
128.06190	2.5
129.06992	11.4
131.08536	29.2
133.06488	5.2
133.10103	27.6
135.08070	5.6
135.11653	13.0
137.09613	4.2
141.06961	2.1
143.08595	11.0
145.10098	23.9
147.08046	4.1
147.11682	12.5
149.09604	4.6
149.13293	6.7
155.08553	4.7
157.10123	11.5
159.08066	3.6
159.11679	16.5
161.13252	12.7
163.11221	4.1
163.14803	4.0
169.10167	5.3
171.11671	10.9
173.09608	3.0
173.13231	12.1
175.11229	5.9
175.14819	4.5
183.11726	5.9
185.13258	4.6
187.14857	7.0
189.09615	2.6
189.11252	11.5
189.12761	2.4
189.16351	2.3
193.12265	12.8
197.13260	4.7
199.14865	5.3
201.16422	2.6
213.16415	2.2
225.16351	2.2
227.12689	16.9
233.15311	3.5
243.15871	2.7
243.21059	4.0
247.16881	3.0
261.22107	15.3
267.15948	20.8
273.22211	2.2
279.19318	2.0
285.22049	4.4
301.25220	26.3
303.23471	2.4
335.25681	18.3
359.25626	3.4
421.25677	3.1
435.27435	2.7
435.32370	9.1
453.33621	14.2
471.34607	10.8
484.42654	2.1
509.36102	3.7
527.31348	1.3
527.37262	62.9
528.37622	7.1
545.38318	100.0
546.38696	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05407	2.3
53.03933	6.7
55.01861	6.8
55.05506	44.1
57.03426	11.5
57.07056	6.2
58.35088	2.0
59.04989	2.3
60.89923	2.1
65.03917	4.6
67.05499	85.4
69.03405	6.4
69.07059	24.5
69.43459	8.1
69.43880	12.5
71.04975	4.6
79.05486	55.3
81.03405	31.0
81.07049	80.6
83.04967	7.4
83.08615	29.6
85.06519	3.9
90.35007	2.3
91.05476	47.5
92.68137	2.4
93.07037	50.4
95.04960	27.5
95.08023	4.4
95.08595	60.2
97.06501	6.0
97.10158	24.0
98.21422	4.2
103.05473	2.6
105.07021	45.5
105.07736	3.3
107.04958	7.5
107.08579	35.2
109.06490	8.6
109.10136	40.4
111.08065	4.7
115.05456	5.0
117.07011	18.8
119.08572	38.0
121.06476	11.5
121.10126	23.2
123.08051	8.3
123.11681	11.5
125.09639	23.2
128.06264	2.4
129.06989	14.3
130.07747	3.1
131.08566	30.3
133.06487	6.5
133.10130	29.3
135.08047	11.8
135.11694	15.3
137.09605	4.7
137.13333	2.4
141.06978	3.2
143.08525	12.5
145.06418	3.0
145.10094	25.3
147.08073	3.0
147.11630	18.3
149.09625	7.7
149.13258	6.6
151.91548	2.1
153.09091	4.1
155.08519	7.7
157.10175	16.0
159.08150	2.8
159.11684	21.1
161.09596	3.4
161.13248	9.1
163.11197	5.9
163.14822	2.9
165.12672	3.1
169.10120	6.3
171.11678	8.3
173.09677	3.8
173.13231	10.3
175.11197	5.4
175.14839	6.0
177.12668	2.9
183.11702	4.5
185.13271	9.9
187.14830	6.6
189.11195	14.3
189.12663	3.0
189.16289	3.3
191.35153	2.2
191.78328	2.3
193.12207	4.4
197.13232	5.1
199.14764	5.3
201.12860	2.4
205.12166	2.7
223.14740	2.7
227.12773	15.8
243.20992	3.7
247.16959	5.8
261.22012	10.6
262.29004	2.5
267.15897	22.6
285.22168	5.8
287.20053	2.6
299.23550	2.9
301.25171	25.5
308.37640	2.4
317.24777	3.7
335.25842	10.2
341.25159	2.8
345.24438	2.0
361.23822	2.4
421.25323	2.8
435.27408	3.2
435.32620	7.7
453.33603	19.7
471.34567	10.2
509.36426	3.9
527.37256	60.4
528.37653	2.2
545.38287	100.0
546.38177	5.6
552.43085	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	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55666	1.9
51.02372	2.5
53.03928	5.3
55.01849	2.9
55.05262	2.0
55.05500	28.4
55.83541	1.7
57.03414	7.3
57.07063	4.9
65.03925	6.1
67.05495	97.6
69.03421	1.8
69.07058	31.0
71.04964	8.6
72.95860	2.0
75.09953	2.0
79.05479	49.9
81.03387	3.7
81.07045	100.0
81.30688	1.9
83.04964	3.7
83.08611	14.9
85.06520	5.5
91.05474	35.9
93.07033	63.9
94.07389	2.0
95.04948	8.3
95.08593	72.7
97.06503	8.0
97.10152	5.0
99.08117	3.2
102.04919	2.0
105.07012	34.9
107.04865	2.1
107.08582	39.5
109.06464	3.5
109.10139	39.1
111.08056	3.7
117.07001	12.6
119.08568	27.1
121.09295	2.7
121.10124	29.7
123.08067	3.7
123.11681	14.8
125.09608	3.4
129.06978	5.2
131.08542	21.4
133.10098	25.4
135.08127	3.6
135.11678	22.8
137.09637	2.2
137.13222	4.0
139.11133	2.2
140.19833	2.0
142.07895	2.0
143.08542	6.8
145.10104	18.5
147.11655	19.6
149.09520	2.6
149.13245	27.4
151.14883	2.3
155.08531	3.4
155.63547	1.8
157.10147	9.1
159.11676	20.9
161.13255	10.4
163.14793	4.9
165.12682	4.4
168.52074	1.8
169.10104	2.2
171.11690	4.9
173.13211	14.3
175.14819	4.0
177.12654	2.0
183.11539	1.9
185.13214	4.4
187.14819	6.3
193.12213	2.4
195.13791	7.4
199.14809	3.6
201.16356	2.0
209.66209	1.8
229.14290	6.4
243.21085	4.0
247.20609	4.6
259.20605	3.0
261.22086	23.0
267.15894	6.8
269.17392	25.5
279.23077	4.1
283.19086	3.3
285.22223	2.0
287.23648	7.5
299.23254	2.1
301.25278	9.9
317.24738	4.7
333.24133	3.9
335.25687	18.8
348.62030	2.0
361.27267	2.6
375.28867	3.5
419.33130	2.5
437.34009	15.8
449.48547	1.8
455.35196	17.8
473.36310	14.0
503.36841	5.0
511.37555	5.6
519.40808	2.4
529.38776	76.3
530.38837	4.0
538.23804	2.2
547.40137	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	2.0
50.62429	1.9
53.03937	5.6
54.37716	2.0
55.01878	3.9
55.05504	22.2
57.03434	7.7
57.07071	7.2
65.03931	5.0
67.05499	70.4
69.03441	2.5
69.07067	20.9
69.23258	15.9
69.23666	5.6
71.04987	10.0
71.08623	6.9
79.05485	37.8
80.05830	2.2
81.03414	30.8
81.07055	64.3
81.07513	3.6
83.04992	10.0
83.08614	23.0
84.04543	1.8
85.02889	10.6
85.06542	3.2
85.10185	2.3
91.05473	36.7
91.05995	2.6
93.07033	36.2
95.04964	23.6
95.08604	40.2
97.06534	5.0
97.10174	8.5
103.00270	2.1
105.07027	29.7
107.04958	6.6
107.08588	24.8
109.06492	4.2
109.10140	26.7
111.08064	4.6
113.06062	2.2
117.07021	5.8
119.08569	31.1
121.06490	3.9
121.10126	19.4
123.04460	5.1
123.08111	2.5
123.11734	6.3
128.06212	2.0
129.07034	8.2
131.08521	12.0
133.06541	2.2
133.10121	20.1
135.11676	13.2
137.09598	5.2
142.07822	4.1
143.08606	5.9
145.10106	11.3
147.08086	2.1
147.11678	12.5
149.09627	2.7
149.13303	3.0
155.08539	3.2
157.10143	12.2
159.11745	5.5
161.13274	3.9
163.11224	2.4
163.14821	2.3
164.21524	2.1
165.12729	3.2
169.10205	4.8
171.11742	7.4
171.13423	1.7
173.13277	4.8
175.11089	9.2
175.14864	4.5
189.16481	2.0
193.10477	3.1
193.12233	24.3
197.13278	4.0
199.14938	4.3
207.11755	2.8
208.81612	2.0
209.13287	3.7
211.13287	27.1
211.15204	1.9
235.13304	4.7
237.16394	3.4
263.23770	3.9
267.16031	5.2
284.16055	2.1
334.28430	1.9
337.27359	4.7
389.18039	2.3
419.22604	3.7
431.18616	4.0
437.34229	2.6
445.20322	3.5
447.21967	5.4
455.34973	3.2
474.20825	6.0
475.21286	2.8
503.36920	3.0
529.38904	13.3
547.23395	46.7
547.39844	100.0
548.23767	5.4
548.40002	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	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31874	1.1
53.03929	5.8
55.01871	3.8
55.05503	24.1
57.03432	8.0
57.07064	12.8
65.03925	5.3
67.05496	86.9
69.03433	2.7
69.07059	24.0
69.32833	8.7
69.33261	4.6
71.05002	6.4
71.08624	6.3
79.05483	43.3
81.03408	46.3
81.07047	74.5
82.07364	2.0
83.04971	8.6
83.08607	26.9
85.02895	19.7
85.06554	3.0
85.10171	3.1
91.05467	37.4
93.07034	32.9
94.48077	1.1
95.04955	31.3
95.05541	2.5
95.08591	52.9
97.02901	1.4
97.06523	5.5
97.10157	9.7
98.20757	2.1
99.08073	2.1
105.07014	27.4
107.04962	6.9
107.08580	18.0
109.06519	4.1
109.10136	18.8
111.04470	2.2
111.08057	8.4
111.11755	1.6
115.05460	1.4
117.07016	5.5
119.08566	21.5
121.06464	1.9
121.10134	14.2
123.04430	7.8
123.08076	2.7
123.11688	8.8
125.09621	3.6
129.06985	8.6
131.08536	9.3
133.10106	14.1
135.08029	1.8
135.11642	7.5
137.09627	2.8
137.13264	3.2
143.08601	2.4
145.10117	8.4
147.08067	2.8
147.11671	14.3
149.09644	6.1
149.13234	1.8
157.10097	10.2
159.11652	1.5
161.13275	3.8
163.11174	4.0
163.14812	2.3
165.12839	2.4
171.11696	2.1
173.09688	1.5
175.11154	10.1
175.14874	3.5
189.12729	1.4
193.12230	35.0
211.13264	33.3
211.15184	1.8
235.13278	9.9
245.22662	2.6
263.23749	5.3
267.15833	7.8
303.26736	2.3
337.27365	6.4
372.41205	1.4
455.35269	4.4
473.36218	1.6
529.38812	12.1
547.39905	100.0
548.40253	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	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38094	1.1
51.02372	1.5
53.00303	1.4
53.03940	5.0
55.01858	5.7
55.05505	27.0
57.03431	5.8
57.07073	3.0
59.04984	2.4
65.03931	4.6
67.05498	100.0
69.03421	2.4
69.07056	21.4
71.04987	48.0
71.08614	2.0
71.45252	2.2
74.47713	1.1
74.71414	1.2
77.03938	2.0
79.05486	53.2
81.03416	14.6
81.07050	59.5
83.04971	10.7
83.08610	15.8
85.02908	1.7
85.06544	4.3
91.05473	44.6
93.07037	57.5
95.04955	16.4
95.08598	46.4
95.75460	1.2
97.06516	8.6
97.10173	10.7
99.08097	1.7
102.12751	1.2
105.07021	23.6
107.04939	3.7
107.08590	30.2
109.06515	6.0
109.10144	62.5
109.27286	1.2
111.08078	3.2
117.06995	10.7
119.08562	26.1
119.09346	1.9
121.06483	3.0
121.10129	22.0
123.08015	2.9
123.11732	5.0
125.09620	5.4
129.07002	3.1
131.08548	11.0
133.06512	1.5
133.10118	13.3
135.08046	2.4
135.11679	24.8
137.09599	19.0
142.07693	1.3
143.08566	2.2
145.10123	15.8
147.08020	2.0
147.11638	7.5
149.09601	3.1
149.13248	4.7
153.12776	1.5
155.10690	5.7
157.10127	3.6
159.11723	5.3
161.13269	5.0
163.11127	6.5
163.14807	2.7
165.12816	1.9
169.10263	1.2
169.12195	7.3
171.11722	2.4
173.11725	3.6
173.13300	3.8
175.14839	5.0
178.00467	1.2
181.12277	3.7
185.13277	1.3
187.14792	2.2
189.11104	1.8
189.16397	1.5
193.12279	5.7
201.16354	1.6
213.14760	2.0
227.12814	5.5
235.04524	1.4
243.15900	1.7
245.22815	1.3
259.20599	2.1
261.22137	4.8
263.23682	3.1
267.15891	16.7
271.15442	2.8
285.22272	1.6
287.23563	1.7
289.21710	2.9
303.26962	4.4
337.27319	13.6
340.98083	1.5
361.27362	2.7
363.25446	2.6
423.31992	1.7
437.34152	2.0
455.35330	7.7
473.36270	4.8
503.37338	22.3
503.44559	1.0
511.38034	1.7
515.37262	11.6
529.38849	24.5
547.39954	79.1
548.40204	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	548.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33125	1.2
69.21768	11.2
69.22179	3.0
75.88171	1.3
102.77454	1.2
110.28275	1.2
125.30092	1.1
126.15229	1.1
208.09715	1.2
294.75958	1.2
297.05432	1.2
317.64529	1.3
349.39432	1.2
373.15295	1.1
388.16406	2.5
402.18738	1.3
403.18945	3.3
404.19455	4.4
416.19763	3.2
417.20828	1.6
418.21219	5.2
419.21841	2.4
431.18414	3.3
432.18979	4.8
433.24097	3.2
434.24310	15.6
445.19559	1.5
446.19824	9.1
447.21292	4.7
460.21759	6.7
461.22876	21.5
462.23541	16.3
474.23706	5.0
475.24753	2.4
520.27710	2.0
533.24982	1.6
548.27307	100.0
549.27509	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	549.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
55.82248	0.9
69.03407	2.0
69.28853	4.1
69.29279	4.6
85.02866	2.5
86.09658	0.9
94.06553	1.8
97.02865	0.9
137.05962	6.7
165.12756	1.5
181.05000	0.9
197.10750	1.9
198.07733	1.8
198.11400	1.3
199.08665	10.6
207.13785	2.2
210.07750	1.0
211.08679	9.7
211.12381	1.2
212.09390	3.2
213.10226	11.3
214.07379	1.5
214.10965	3.7
222.09003	0.9
225.06677	1.6
225.10165	15.5
226.07361	13.4
226.10886	5.7
227.08128	15.1
227.11687	6.4
237.10175	1.2
239.08134	1.9
239.11710	7.3
240.08965	2.7
240.12480	5.1
241.09705	15.4
241.13155	2.2
242.10460	13.8
243.11171	1.0
249.10167	0.8
251.11906	0.9
253.09688	8.9
254.10458	2.5
255.11252	12.8
257.12845	17.8
267.11249	11.2
268.08755	2.1
268.12039	13.6
269.09232	2.5
269.12814	3.4
271.10791	1.1
280.12036	2.1
281.09131	2.2
283.10818	2.0
284.11526	1.7
285.12335	5.1
286.09552	2.0
286.12863	1.9
291.90912	0.9
295.10751	7.0
296.11490	14.5
297.12296	3.5
298.13010	1.3
299.10251	1.9
313.11761	30.7
314.08975	1.1
314.12537	14.5
323.10184	1.9
324.11063	1.8
327.09711	1.5
341.11240	5.0
342.12054	54.1
343.12463	1.7
345.14313	1.1
355.08759	1.0
355.12863	1.7
357.13733	1.1
373.13879	8.0
374.14420	3.8
401.09671	3.3
411.11957	1.5
417.12531	1.0
429.13068	1.8
433.16068	1.1
443.14816	4.8
455.14609	1.5
457.12372	4.2
461.15894	1.3
471.08127	0.8
471.13843	5.4
473.15512	3.8
489.15012	30.7
490.15152	1.6
499.13397	2.3
517.14496	100.0
518.14697	2.3
531.16174	2.2
549.17041	57.4
550.17157	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	549.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78084	1.1
55.01865	1.4
60.02622	1.1
69.03395	1.6
71.04955	1.0
81.03392	1.4
85.02890	3.6
93.06994	1.2
94.06541	1.3
95.04925	1.9
101.13358	0.9
105.07004	1.3
107.08591	1.1
109.05963	0.9
121.10127	1.2
132.04362	1.4
134.06090	1.1
137.05956	9.0
147.04391	1.9
148.07539	1.3
151.03909	1.0
163.03896	1.2
167.06967	1.3
177.05440	1.1
178.04968	2.6
179.05225	1.5
181.04941	6.3
182.05318	3.6
183.09221	1.0
194.09622	1.0
197.10776	4.4
198.07822	2.8
198.11542	2.2
199.08672	14.9
199.12230	1.6
199.28880	0.9
201.10223	1.7
206.04498	4.0
207.04781	3.0
210.09232	1.1
211.08661	12.9
211.12218	1.7
212.09349	6.6
213.10187	16.2
214.07347	1.4
214.11026	3.5
224.11073	1.4
225.10172	23.6
226.07338	11.9
226.10844	9.7
227.08134	17.6
227.11653	8.7
228.08868	1.5
237.10220	2.6
239.08099	2.6
239.11760	11.7
240.08931	3.4
240.12469	7.2
241.09708	22.5
241.13406	2.5
242.10445	15.0
249.10126	1.3
250.11008	1.2
251.11792	2.1
252.09007	1.6
253.09702	14.0
254.10423	4.8
255.11273	16.6
257.12811	40.7
267.11264	20.5
268.08582	3.3
268.11966	21.0
269.09222	2.1
269.12723	5.1
270.13452	1.4
271.10840	2.1
273.12250	1.4
279.11383	1.5
280.12094	6.0
281.09201	3.5
283.10721	2.4
284.11490	3.6
285.09244	1.5
285.12302	7.9
286.09518	2.5
286.13019	2.4
295.10776	11.1
296.11551	15.1
297.12247	7.1
298.13074	1.6
299.10172	3.5
313.11752	60.3
314.12509	26.8
315.12936	1.9
323.10123	1.5
324.10889	1.6
326.09671	1.1
341.11264	5.9
342.12061	50.1
343.12543	2.5
345.14478	1.4
355.12927	1.5
356.13635	2.2
373.13953	11.2
374.14621	6.8
387.11322	1.1
401.09436	2.5
411.11966	1.5
417.13007	2.0
429.12796	2.9
433.15875	3.8
443.14569	7.2
455.14661	2.9
457.12503	6.0
461.15915	2.5
471.13721	6.7
473.15479	8.4
475.13150	1.4
489.14987	58.4
490.15353	1.8
499.13696	3.1
517.14441	87.3
518.14612	2.5
531.16174	2.6
538.90985	1.1
549.17059	100.0
550.17242	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	549.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.9
57.03439	0.3
66.08062	0.2
67.04227	0.2
71.08555	0.6
79.14844	0.2
85.02886	0.7
89.03907	1.3
92.99998	0.2
97.02842	0.3
98.97562	0.9
105.07002	0.6
106.18726	0.3
107.04955	0.3
115.05438	2.4
116.98589	0.7
117.03369	1.2
117.05733	1.3
132.08075	4.2
132.09077	0.3
133.06506	0.7
135.04404	2.3
142.06525	0.6
143.00117	0.3
143.07361	0.4
145.02864	1.3
159.06828	0.3
160.07562	100.0
161.01266	0.5
161.07922	1.9
163.03889	13.1
164.04211	1.3
166.53514	0.2
177.10217	16.1
185.01286	0.2
197.01085	0.2
213.04271	0.3
219.01768	0.6
222.37646	0.2
237.00713	0.3
237.02811	1.2
255.01784	0.4
273.02707	0.2
273.06424	0.2
295.56152	0.2
333.02646	0.3
350.82678	0.2
374.07574	0.3
389.07373	0.4
393.04623	0.3
411.05853	0.3
545.12030	0.4
549.09961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01855	6.5
55.05504	36.9
57.03428	14.2
57.07063	10.6
59.58004	2.0
65.03922	4.6
67.05499	100.0
68.05807	2.6
69.03413	3.8
69.06705	3.6
69.07056	44.2
69.36391	11.7
69.36812	10.5
71.04969	9.0
75.18209	1.9
78.36343	2.3
79.05489	50.3
81.03406	28.4
81.07048	96.6
83.04976	13.6
83.08607	30.2
84.92416	2.3
85.02902	15.1
85.06520	6.0
85.10181	2.7
91.05471	48.9
93.07034	45.3
95.04960	20.3
95.08598	59.3
97.06525	6.3
97.10179	12.3
99.04463	2.5
105.07024	46.2
107.04940	3.2
107.08584	43.5
109.06509	9.8
109.10141	74.5
111.08125	4.0
111.11700	2.9
117.07001	7.7
119.08567	20.2
121.10137	25.0
123.08035	4.0
123.11691	16.3
125.09627	2.6
129.06967	5.8
131.08568	16.4
132.09810	2.7
133.10120	61.4
135.11676	17.8
137.05916	4.6
137.13240	3.2
138.27617	2.3
145.10092	9.9
147.11664	14.5
149.09645	3.0
149.13240	9.5
151.11176	31.4
157.10147	7.5
159.11659	4.9
161.09602	2.6
161.13234	3.9
163.14784	4.6
169.12224	9.6
173.13257	4.5
175.11133	6.2
175.14807	3.7
179.10632	2.6
187.14745	4.4
187.19649	2.2
193.12245	27.9
211.13275	25.0
215.12787	10.2
243.21088	5.1
253.14340	69.6
261.22113	21.8
265.25244	5.0
267.15790	2.6
271.15344	33.2
279.23175	3.7
317.24734	2.5
335.25821	20.6
339.28903	3.5
439.31766	3.6
440.85419	2.4
443.09128	2.2
457.32611	3.3
513.35620	11.3
531.36047	13.8
549.41565	72.9
557.74011	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	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
54.24687	1.8
55.01873	4.5
55.05243	3.3
55.05502	43.5
57.03432	13.6
57.07063	12.6
58.68951	1.7
65.03931	4.3
67.05495	72.3
69.07059	47.9
70.61555	1.8
71.04984	7.3
71.08643	4.4
71.57376	2.8
79.05485	39.9
81.02958	3.7
81.03410	47.3
81.07048	69.0
83.04977	9.8
83.08609	40.0
85.02888	25.9
85.06532	4.8
85.10173	2.7
91.05469	33.5
93.07031	35.7
95.04953	24.6
95.08598	52.5
97.02896	2.2
97.06503	5.4
97.10152	19.0
99.08105	2.7
105.07019	31.2
107.04964	3.1
107.08582	24.9
109.06533	3.9
109.10141	32.6
111.08092	10.3
111.11705	2.4
113.06009	2.4
113.09605	2.6
115.05457	1.9
119.08546	17.1
121.10132	23.6
123.08038	2.1
123.11671	10.8
125.09675	2.8
129.06999	6.8
131.08513	13.8
133.06462	2.0
133.10136	21.8
135.11673	11.7
137.06062	2.5
137.09601	2.6
137.13298	3.0
142.07834	2.5
145.10139	4.5
147.08080	2.9
147.11665	12.4
149.09651	3.5
149.13234	6.2
151.11168	10.7
157.10164	10.7
159.11705	2.4
167.73668	2.0
175.11142	10.6
193.12209	47.1
211.13263	49.0
253.14362	17.5
261.22055	9.0
265.25275	8.4
267.15906	5.1
271.15497	7.6
335.25894	4.3
335.89178	2.3
339.28979	2.5
418.87091	2.1
439.31918	3.0
508.94968	2.0
513.34845	2.9
531.37842	6.1
549.23883	4.4
549.41479	100.0
550.42065	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	551.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01852	1.3
57.03447	0.6
60.76240	0.6
61.02908	1.1
68.99789	0.9
69.03421	5.8
70.06586	0.7
71.04965	0.8
71.52785	1.0
71.53172	0.7
71.92645	0.6
73.02895	1.5
79.05450	0.9
81.03416	4.7
81.07033	1.1
85.02898	7.9
87.00816	3.9
91.03957	0.6
91.05466	0.9
93.07011	1.1
94.70312	0.6
95.04962	0.8
95.08578	0.5
97.02906	4.1
99.04443	2.1
103.05449	1.5
105.01853	1.8
105.07032	1.4
107.04921	0.6
107.08571	0.9
109.02876	3.0
110.03617	0.6
111.00744	0.7
115.51113	0.5
117.01854	1.1
121.02872	0.7
121.06451	0.7
121.10121	1.6
125.05965	1.0
127.03894	7.4
131.04921	1.9
131.08623	0.8
131.09814	0.6
135.04445	0.7
137.02324	3.3
137.05957	4.2
145.04941	1.9
145.06371	0.8
147.04413	1.5
148.41432	0.6
151.03894	5.1
151.07468	0.6
153.01831	3.1
159.02834	3.8
163.03871	1.1
163.07503	1.3
163.11137	3.3
165.01852	1.7
167.07002	0.9
172.03908	0.7
175.07602	0.7
177.05437	1.3
181.12146	0.9
183.02875	1.2
189.05524	0.6
191.07056	1.1
191.10637	2.6
201.05428	2.2
204.06563	1.5
209.11760	0.9
219.06427	0.9
227.12750	2.5
229.05016	4.5
231.05014	1.4
237.07512	1.6
247.05820	0.9
257.04422	3.2
285.03790	1.2
303.04953	100.0
304.05402	1.6
357.13831	0.5
389.12720	0.9
551.17535	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	551.1027
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.01039	0.1
53.03938	1.5
55.01865	1.1
57.03432	1.0
61.02916	1.0
61.25468	0.1
65.03924	0.3
67.05505	0.2
68.99780	1.3
69.03420	6.5
69.36895	1.0
69.37323	0.5
71.01341	0.2
71.04973	0.8
73.02905	1.3
79.29752	0.2
81.03403	6.6
83.01322	0.3
83.04929	0.2
85.02894	9.1
87.00816	5.3
87.04475	0.2
91.03941	0.6
93.03365	0.3
93.07011	0.7
95.04938	0.3
97.02274	0.3
97.02872	3.6
99.04444	2.5
101.02368	0.2
105.01844	2.0
105.07013	0.5
107.08547	0.3
108.16873	0.2
109.02862	5.2
111.00782	0.9
115.03931	0.2
117.01832	1.1
119.08555	0.5
121.02862	1.0
121.06479	0.4
121.10116	1.2
123.04393	0.2
127.03899	7.3
129.01787	0.3
135.04393	0.3
137.02318	3.4
137.05930	0.3
141.01831	0.2
145.04942	2.2
145.06439	0.2
145.10103	0.6
147.02843	0.5
149.02296	0.6
149.09633	0.3
153.01808	4.2
155.04874	0.3
159.02864	3.9
161.05963	0.3
163.03877	0.7
163.11154	1.5
165.01804	2.1
166.02583	0.3
171.02963	0.2
173.05949	0.4
179.03337	0.2
181.12210	0.6
183.02852	0.9
183.04337	0.3
187.03918	0.3
191.03432	0.2
191.10620	0.8
195.02878	0.2
201.05441	2.2
205.04977	0.2
207.02939	0.2
209.11702	0.7
213.03937	0.3
219.06563	0.3
224.12547	0.2
227.12756	2.7
228.04234	0.2
229.04930	5.4
231.04945	1.5
247.05956	0.7
257.04437	2.8
274.04681	0.8
275.05450	0.3
285.03970	1.5
303.04944	100.0
304.05264	1.8
327.04175	0.2
345.05945	0.4
350.18335	0.2
369.06000	0.2
411.07117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37178	7.6
55.01870	37.5
63.84105	5.4
71.54610	8.2
71.91003	6.6
81.03384	11.3
83.01347	7.2
85.02887	23.7
89.03915	12.6
91.05518	5.8
93.05983	7.6
97.02854	12.1
117.03361	15.0
119.04936	10.7
121.02845	16.4
123.04400	11.1
135.04398	18.8
139.03859	6.9
144.08049	49.0
145.02818	21.9
147.04372	27.5
151.03870	12.0
161.01210	8.1
161.05957	12.2
161.10713	13.8
163.03880	100.0
164.04237	8.1
173.05965	10.0
175.03874	24.9
177.05463	19.7
179.03395	7.5
181.04906	5.6
187.03889	13.0
189.05446	18.1
193.04938	24.9
198.97174	6.4
201.05476	10.0
205.04895	28.9
213.05382	7.3
213.37271	6.0
215.06981	10.9
217.04942	59.7
219.02774	6.5
229.05035	31.9
231.06630	14.7
233.04500	8.4
234.23882	6.7
235.05931	40.2
241.05098	8.2
241.72238	7.7
243.06519	12.9
245.04338	9.6
247.05919	38.3
255.06519	8.5
259.05988	51.2
271.06070	42.4
275.05392	18.7
277.07028	10.5
283.05862	14.1
287.05377	10.8
293.06427	10.0
295.05536	8.7
295.08517	6.5
299.05450	20.5
301.07034	26.4
303.04877	6.8
305.06503	8.7
313.07034	17.0
317.06461	22.2
319.07938	14.2
325.06992	22.0
329.06564	7.8
335.07571	18.3
347.07547	23.9
359.07504	18.4
367.07764	12.5
371.07443	16.7
377.08801	14.0
383.09940	33.3
401.08530	12.8
406.53564	6.8
413.09000	21.9
419.09451	16.6
431.09500	11.4
443.09503	9.5
449.10712	20.7
461.10400	8.5
478.23782	5.9
551.18182	6.4
565.09863	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	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.05500	15.1
57.07070	10.4
61.71283	1.2
65.03938	4.1
67.05492	30.2
69.07055	22.5
69.29860	6.8
69.30292	7.5
77.03918	1.7
79.05483	25.1
81.07048	38.8
81.75370	1.2
83.04938	1.8
83.08606	8.9
85.06517	2.9
91.05470	45.3
93.07034	58.6
95.04954	5.6
95.08596	37.7
95.09115	0.8
97.06537	1.7
103.05451	4.1
105.07016	76.2
107.08579	61.3
109.06501	2.0
109.10144	45.8
111.08082	1.9
115.05420	4.4
116.06261	2.3
117.07010	18.2
119.08562	100.0
121.10124	50.3
123.08069	1.4
123.11693	16.8
123.83626	1.4
128.06218	5.1
129.06989	13.0
130.07803	9.1
131.08559	29.3
133.10110	59.6
135.11671	35.3
137.09631	3.4
137.13120	1.7
141.06969	4.2
142.07762	17.0
143.08549	26.7
144.09309	6.6
145.10097	67.1
147.10590	2.7
147.11653	20.8
149.13232	4.2
153.06952	3.1
155.08545	9.9
156.09331	12.8
157.10114	35.7
158.10892	6.1
159.11671	34.2
161.13263	11.8
163.11143	1.5
165.06960	2.8
166.07758	2.1
167.08527	8.3
168.09319	4.4
169.10095	19.1
170.10876	4.4
171.11656	25.0
172.12401	1.8
173.13235	24.5
175.14792	41.3
179.08595	7.9
180.09264	4.3
181.10092	8.8
182.10913	5.7
183.11678	18.6
184.12535	2.1
185.13217	15.6
187.14809	16.3
189.16351	3.6
191.14444	2.3
193.10109	8.0
194.10919	4.9
195.11650	12.1
196.12354	3.2
197.13211	19.5
199.14830	8.4
201.16368	15.4
207.11629	9.5
208.12358	4.0
209.13194	14.5
210.13934	2.2
211.14844	14.2
213.16359	7.9
217.10191	2.1
217.15901	1.5
219.11778	2.4
219.17464	3.0
220.12444	3.3
221.13173	7.8
223.14827	11.6
224.15675	1.7
225.16359	4.3
231.11720	2.6
232.12433	1.7
233.13205	4.4
234.14046	1.7
235.14821	6.5
236.15526	1.9
237.16365	7.2
239.17873	3.9
241.19435	4.1
245.13258	1.9
247.14728	3.6
249.16316	3.2
251.17865	3.0
253.19496	4.2
257.18982	2.5
259.14853	1.6
261.16354	2.7
263.17963	4.1
264.40717	1.8
265.19574	4.5
267.21082	3.5
273.16321	1.9
275.17978	3.3
277.19455	2.1
279.20978	3.1
283.20438	2.0
285.22134	3.2
289.19308	3.5
293.22714	1.8
303.20847	1.7
305.22641	1.5
345.25732	4.3
366.51718	1.5
373.28833	1.7
429.31448	2.4
495.36182	2.8
533.41168	5.1
551.42377	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	551.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05494	17.2
56.19073	2.2
57.07065	13.6
58.96806	2.3
65.03934	5.5
67.05495	25.8
69.07068	19.2
69.86620	15.7
75.77723	2.4
79.05484	23.4
81.07040	33.4
81.07452	4.1
83.08622	9.9
91.05470	38.8
93.07046	52.3
93.07604	3.9
95.04961	5.1
95.08599	45.2
98.21417	2.9
103.05508	3.4
105.07017	72.0
107.08583	51.6
109.10162	42.3
111.08024	3.1
115.05375	3.4
117.07017	16.9
119.08563	100.0
121.10127	48.8
123.11692	12.4
128.06273	6.0
129.06999	12.1
130.07791	9.0
130.32837	2.7
131.08572	30.9
133.10123	60.4
133.11064	5.2
135.11676	38.2
137.13251	3.6
141.06987	6.2
142.07774	11.0
143.08540	22.9
144.09358	9.5
145.10103	70.6
147.11678	23.0
149.13258	6.6
155.08556	12.3
156.09357	9.6
157.10098	42.4
158.10889	4.9
158.34901	3.1
159.11699	36.8
161.13226	8.2
163.11121	3.0
165.07008	3.4
166.07838	3.5
167.08563	7.1
168.09409	4.8
169.10135	16.3
170.10956	5.4
171.11696	21.9
173.13251	25.9
175.14818	36.8
179.08498	6.2
181.10115	8.2
182.10907	9.3
183.11650	16.8
185.13229	19.2
187.14774	16.1
193.10155	6.5
195.11678	13.0
196.12422	6.4
197.13254	18.9
199.14857	7.4
201.16405	11.1
207.11649	8.3
208.12445	6.0
209.13242	11.3
211.14801	12.1
213.16354	5.6
219.11674	2.8
219.17448	3.2
221.13354	7.1
223.14821	13.2
225.16418	6.1
235.14781	7.1
237.16295	3.5
239.17810	3.5
247.14859	3.2
249.16394	2.9
249.77669	2.9
253.19582	3.9
257.19095	3.2
261.16458	4.6
265.19711	3.9
267.21225	4.4
273.16342	3.5
275.18152	3.0
285.22162	3.1
289.19470	4.8
327.07593	5.4
338.57269	2.5
345.25867	6.0
368.99384	3.1
495.26160	7.6
551.42487	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04801	1.0
53.03922	1.6
55.01864	2.2
55.05253	1.3
55.05501	15.2
57.03435	7.1
57.07069	36.0
65.03922	1.7
66.17297	1.1
67.05167	1.6
67.05499	29.5
69.03410	3.8
69.07065	12.3
70.28468	1.1
71.04972	3.5
71.08624	29.3
71.46124	1.1
71.46448	1.2
79.05486	11.6
81.03407	40.8
81.06570	1.6
81.07046	31.0
83.04970	6.7
83.08122	1.9
83.08607	24.6
85.02891	21.0
85.06532	1.3
85.10175	15.4
91.05467	15.2
93.07030	8.8
95.04957	13.8
95.08594	25.8
97.02863	1.4
97.06501	1.2
97.10157	10.7
99.08073	1.3
99.11738	1.1
105.07016	13.9
107.04944	2.9
107.08585	4.4
109.06483	2.8
109.10150	11.4
111.04406	2.1
111.08051	7.3
111.11716	3.1
113.06027	2.7
117.80992	1.0
119.08569	11.3
121.10105	5.7
123.11664	5.3
124.20266	1.0
125.09621	0.9
129.06984	5.8
131.08540	5.6
133.06488	2.0
133.10077	5.0
137.09642	1.7
137.13264	2.6
142.07782	2.2
145.10078	1.3
147.08084	1.1
147.11670	7.6
149.09630	3.2
157.10100	8.7
165.12790	2.1
165.16354	1.2
175.11174	11.0
193.12216	42.0
196.78104	1.1
211.13264	50.5
249.15138	1.2
267.15918	3.7
267.26877	3.9
313.60632	1.2
341.30496	3.3
513.45148	1.3
533.41711	1.6
551.43030	100.0
552.43713	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	552.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99146	0.3
70.69094	1.2
79.05432	0.6
80.04974	0.5
82.06509	0.6
91.05424	0.8
93.06982	1.6
94.06509	1.5
95.07284	1.6
96.08124	3.7
97.06481	0.7
104.14052	0.4
108.08089	3.0
110.09673	6.8
118.47504	0.4
120.04456	3.1
120.07351	0.5
120.08078	4.3
121.70281	0.3
122.06013	0.8
122.09612	0.6
124.07528	1.1
134.05965	0.3
136.07564	3.9
138.09132	7.4
146.05956	0.6
148.07495	1.4
150.09062	0.6
152.07022	1.4
152.10709	0.6
164.07014	1.0
166.07401	0.4
166.08641	7.2
180.10158	0.5
182.11662	0.6
190.31187	0.3
194.08083	0.9
196.09785	0.5
197.10704	0.7
206.08139	0.4
209.10706	1.0
211.12230	0.7
212.09384	0.9
213.10081	0.4
222.07877	0.6
222.11557	0.4
223.08629	1.8
223.12210	1.0
224.09305	0.8
225.10172	2.9
226.10909	0.8
227.11719	0.5
233.10658	0.8
234.11555	0.4
235.08554	1.5
235.12286	0.7
236.09320	1.2
237.10199	7.6
238.10895	2.1
239.08141	2.0
239.11758	4.1
241.09595	1.1
248.09348	1.5
249.10226	5.5
250.11047	2.0
251.08043	3.3
251.11740	5.2
252.08890	0.6
252.12538	0.8
253.09688	4.3
253.13408	0.4
254.10446	0.8
255.11285	1.0
261.10245	2.8
262.10898	1.4
263.07971	0.8
263.11722	3.3
264.08838	0.7
264.12439	0.4
265.09692	8.7
265.12653	0.6
266.10342	1.3
267.11270	5.4
268.11801	0.6
269.09122	0.6
271.10736	2.3
277.09766	2.4
278.07092	0.6
278.10416	3.3
279.07614	3.3
279.11209	8.4
280.08505	0.3
280.11978	1.5
281.09174	2.6
281.12762	1.7
282.09912	0.7
283.10782	6.4
283.14026	0.6
284.11545	0.5
285.12323	0.9
287.13870	1.6
289.09668	4.9
290.10538	0.4
291.11282	1.8
293.09183	2.1
293.12769	4.1
294.09979	6.0
295.10822	3.7
295.14291	0.7
296.11514	2.2
297.08795	0.6
297.12286	1.1
298.09604	0.6
299.10239	2.0
299.60571	0.4
306.09732	1.5
307.10736	1.8
308.11499	0.9
309.08740	0.7
309.12286	2.6
310.12994	0.7
311.10153	6.6
311.13782	1.8
312.10986	3.1
313.11716	1.4
314.12579	1.8
317.09024	0.5
321.08603	0.6
321.12180	0.8
323.10471	0.8
323.13916	1.5
324.11060	2.0
325.11728	1.4
326.12573	4.8
327.13397	7.1
335.10199	6.6
337.11682	0.9
339.10190	1.7
339.13358	48.0
340.10388	2.7
340.13574	0.4
352.10587	1.0
353.11438	0.6
354.12088	3.7
355.12817	13.6
356.13339	0.4
367.12860	30.3
368.13602	0.6
371.12210	0.5
373.14185	0.5
376.16278	0.6
386.14804	0.8
387.15564	0.9
399.15393	0.7
418.17593	0.6
451.21188	1.2
460.18646	1.5
474.19992	0.5
479.20410	1.6
488.11096	0.6
488.18146	12.8
492.21301	5.6
520.20758	100.0
521.20923	3.3
538.21869	0.6
552.23395	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	552.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	38.7
57.03446	12.2
57.07059	11.5
67.05484	44.4
69.03411	39.5
69.07055	67.1
69.91986	23.0
69.92401	47.3
71.04983	28.0
74.67181	11.5
79.05459	49.5
81.07059	100.0
82.00946	12.8
83.08607	23.6
85.02894	32.9
87.04440	13.9
91.05459	17.0
93.07018	99.9
95.04944	27.8
95.08585	69.7
97.06534	29.6
97.10159	88.2
105.07022	24.1
107.08599	75.6
108.42681	12.7
109.06533	11.9
109.10137	54.7
113.49586	11.8
117.07018	13.1
119.08576	31.9
121.06463	16.5
121.10138	84.4
123.11642	31.6
125.09584	19.2
133.10107	25.1
135.11656	56.2
137.05974	25.3
137.09550	20.1
139.11165	39.9
140.97745	13.3
143.10684	26.6
145.05055	12.4
145.10081	29.5
147.04382	17.1
147.11589	16.2
149.09558	11.3
149.13245	20.7
151.07475	15.7
152.07043	13.3
157.10179	13.3
157.12250	21.7
163.11140	31.0
167.07047	27.8
181.04970	18.9
181.12187	14.9
195.13780	17.4
204.80240	12.5
231.90529	12.9
275.20193	15.9
291.23099	36.2
293.21066	58.6
301.21768	65.5
319.22623	55.2
331.98914	12.7
337.23782	80.0
534.34027	20.5
552.32928	77.6
553.33643	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06839	5.3
55.01845	8.1
55.05499	51.9
67.05483	24.6
69.03409	21.7
69.07057	57.6
70.68307	13.2
70.68678	9.1
71.04965	15.6
79.05474	30.4
81.03412	8.5
81.07050	74.8
83.04966	10.1
83.08587	8.4
85.02879	26.0
85.06525	10.7
91.05452	21.7
93.07030	78.0
95.04935	16.2
95.08599	56.9
97.02847	12.4
97.06504	13.6
97.10156	100.0
103.05418	7.5
105.07021	32.3
107.08575	48.4
109.06472	8.6
109.10155	38.5
111.11703	11.2
117.06974	7.1
119.08573	30.6
121.10130	79.4
123.08065	16.0
123.11669	27.9
125.09602	21.6
131.08487	7.5
133.10109	21.0
135.07997	6.5
135.11700	41.6
137.05966	25.2
137.09586	16.4
139.11121	37.5
143.10654	31.9
145.10081	28.4
147.11641	10.6
149.09608	7.5
149.13217	17.3
151.11165	14.7
153.12672	7.7
157.10086	10.4
157.12230	16.6
159.11610	16.5
161.13145	7.7
163.11182	26.4
167.07005	7.6
173.13229	6.6
175.07347	7.5
175.11263	10.3
175.14806	6.1
179.10620	6.9
181.12178	34.7
189.09233	9.1
189.11137	11.6
189.12737	6.7
195.13751	12.7
220.83116	5.7
237.14819	7.2
273.22070	13.0
275.20111	19.5
285.15131	6.0
289.21671	9.3
291.23108	24.4
293.21051	75.8
301.21585	55.6
307.22644	16.7
312.10303	7.2
312.50415	5.9
319.22650	60.6
325.23764	10.2
337.23734	63.2
355.24902	10.2
413.22238	8.9
513.98517	6.6
552.32172	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86304	3.0
55.05507	5.0
60.04505	2.8
66.27449	3.0
67.05504	13.4
69.07067	6.2
69.81319	4.8
69.81734	11.5
71.08631	3.4
77.40781	2.7
79.05466	6.0
80.05011	4.9
81.07047	11.6
82.06581	8.2
83.08608	5.3
91.05470	10.3
93.07052	10.5
94.06570	18.9
95.07344	8.9
95.08614	10.1
96.08120	6.1
105.07018	5.3
107.08601	5.1
119.08549	6.1
121.10131	7.8
133.10187	3.6
176.98201	2.8
187.76154	3.0
188.84325	3.7
213.02226	2.8
233.22656	5.4
250.25311	13.2
262.25275	100.0
272.25830	4.4
280.26270	8.4
336.52612	2.8
508.94940	2.8
516.47614	10.5
534.49005	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	555.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34146	8.3
53.03918	12.9
53.91232	6.9
55.01838	9.2
55.05500	50.0
57.03424	23.9
67.05505	70.4
69.03400	15.9
69.07056	39.4
71.53873	11.9
76.54932	7.7
79.05479	59.6
81.03394	25.4
81.07040	61.4
83.04968	42.9
83.08591	18.4
88.09950	6.9
91.05458	56.8
93.07030	69.7
95.04947	40.4
95.08588	95.0
97.02901	9.1
97.06499	13.0
97.10185	9.4
105.07015	72.2
107.04928	16.4
107.08581	51.8
109.02841	10.1
109.06490	26.8
109.10159	20.1
111.04427	24.9
111.08012	8.5
112.87347	7.6
115.05467	11.3
117.06971	24.0
119.08558	59.8
121.06489	15.1
121.10125	30.2
123.08025	17.5
125.05917	8.3
125.09605	16.7
129.06967	26.0
131.08543	42.7
133.06589	8.2
133.10133	45.3
135.08032	15.0
135.11673	20.6
137.09576	10.0
139.07520	14.9
141.07014	12.4
142.07742	19.8
142.57388	9.0
143.08524	48.5
145.06453	17.0
145.10109	65.4
147.07938	10.9
147.11638	18.0
149.09602	9.8
151.07426	8.3
153.06972	10.8
155.08597	17.3
156.09334	16.6
157.10083	42.7
159.08064	28.6
159.11662	44.4
161.05963	10.0
161.09592	26.3
163.11090	11.0
163.98093	10.1
167.08530	20.1
169.10062	36.3
171.08044	15.5
171.11607	36.5
173.05980	9.0
173.09619	21.5
173.13263	11.8
175.11140	14.1
181.10147	19.1
183.11633	25.9
185.09584	28.5
185.13200	21.5
187.11110	25.7
187.14839	8.1
189.12718	17.3
195.11780	15.4
197.09607	14.9
197.13229	15.3
199.07446	15.8
199.11169	16.7
199.14812	11.5
201.12698	14.9
207.11624	13.1
209.09612	9.3
209.13272	14.7
211.11209	18.6
211.13091	10.5
211.14948	9.6
213.12733	12.8
215.10588	13.5
215.14131	10.5
217.12169	12.1
219.13832	9.2
221.13214	23.1
223.14761	13.3
227.14310	14.2
229.12289	12.1
239.14102	8.5
243.10381	8.1
245.15318	11.7
251.17863	9.9
253.15842	11.5
309.18472	7.9
311.19849	12.5
334.91040	7.5
419.25775	13.1
431.26019	12.4
433.27658	13.1
437.26801	27.6
449.26697	26.6
451.28882	9.4
459.25116	35.0
463.28296	13.7
467.27515	8.2
477.25958	22.6
481.29361	17.1
482.50558	9.9
495.26956	13.5
499.30408	17.1
537.28436	11.7
555.33240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	3.3
53.03948	11.4
55.01871	28.9
55.05503	25.9
57.03426	5.4
57.07070	17.1
59.04989	4.5
65.03931	4.4
67.05499	68.0
69.03416	5.4
69.07061	37.2
71.04985	5.1
71.08604	10.6
75.87555	2.1
79.05486	73.9
80.01773	2.5
81.03422	17.6
81.07048	67.7
83.04973	13.2
83.08595	14.2
85.10162	8.4
91.05474	83.1
93.07034	60.9
95.01302	10.9
95.04948	32.1
95.08595	54.2
97.06519	55.3
97.10168	6.4
98.98450	40.4
103.05409	2.3
105.07020	86.5
107.04933	25.4
107.08581	23.3
109.02852	5.8
109.06502	10.4
109.10172	13.5
111.08046	2.6
117.07027	23.6
119.08569	44.8
121.06474	5.4
121.10165	11.3
123.08068	9.3
123.11720	3.1
125.09666	3.0
128.06157	4.2
129.07021	11.5
131.08539	20.6
133.10120	39.0
135.08051	3.6
135.11661	9.3
137.09627	3.2
141.06871	2.3
143.08577	8.4
145.06512	2.5
145.10109	24.9
147.08029	2.6
147.11684	31.7
149.09599	9.4
149.13225	3.0
151.11208	2.6
151.71037	2.2
155.01035	41.7
155.08536	3.8
157.10149	6.9
159.11658	16.2
161.13255	13.1
163.11176	7.1
169.10118	4.3
171.11674	18.7
173.13313	4.4
177.12770	3.8
179.14288	19.7
183.11592	2.8
185.98314	2.3
187.11201	2.9
189.12694	5.8
205.12250	2.4
207.13739	9.4
215.17874	2.1
229.19344	2.7
239.23674	4.7
241.14388	2.8
247.20709	2.6
257.18985	7.6
259.20639	4.3
275.20035	100.0
276.20300	3.0
279.15918	8.2
293.21033	10.1
313.27338	32.2
317.06592	2.8
327.24780	2.5
349.23572	3.1
485.03583	2.1
555.36664	51.0
556.37195	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	557.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13360	1.7
53.29229	1.7
71.53348	2.7
77.00903	1.9
77.89088	1.7
81.03411	2.2
82.99832	2.0
85.02885	3.0
91.95850	1.6
95.77184	1.9
96.69894	1.6
97.02859	3.0
98.97574	2.1
101.00868	13.3
111.72213	1.5
113.00857	3.2
115.02430	1.5
116.71430	1.5
117.03989	2.0
119.01910	37.0
121.41337	1.5
127.02399	4.9
131.01901	16.1
133.03429	2.3
137.02930	5.3
139.03818	1.6
143.01888	23.5
145.03461	36.0
149.02922	4.0
155.01904	16.7
157.03435	15.5
159.05022	10.5
161.02933	35.1
163.03947	9.8
167.01845	8.0
169.03438	32.7
171.05005	13.0
173.02960	32.5
175.04514	2.7
179.01790	3.7
181.03401	3.9
183.05048	3.2
185.02924	44.6
187.04494	57.5
189.02347	8.1
191.04070	2.1
197.02927	20.7
199.04488	10.4
203.03979	21.5
211.04462	10.4
213.02397	7.2
213.05988	4.2
215.03993	16.8
219.91650	2.0
221.02937	4.6
221.05025	10.8
223.04559	3.4
227.04001	11.5
229.05507	3.9
231.03448	13.8
239.04134	4.0
239.06100	12.4
245.05037	100.0
246.05232	3.3
257.01364	3.3
257.05066	6.5
263.06107	25.3
271.06503	7.1
275.02484	31.4
275.06055	92.2
276.06482	2.7
287.02448	11.1
287.06033	6.2
289.07535	2.4
291.05490	3.0
293.03528	10.4
293.07141	11.1
305.03494	10.5
305.07153	18.0
315.05685	5.0
317.07095	3.3
335.04446	16.2
335.08270	9.3
341.03644	2.0
359.04282	9.8
365.09369	12.5
377.05429	24.8
383.10214	3.0
395.06595	32.9
437.09338	11.3
449.09161	2.8
539.10883	5.2
557.11572	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	557.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78862	0.5
56.96568	0.7
69.03430	0.9
71.56436	0.8
72.95367	0.5
77.00923	2.4
82.99909	2.1
85.02924	1.8
89.03940	1.5
95.01990	0.7
95.04996	1.1
97.02924	1.0
98.88400	0.6
98.97599	1.9
101.00855	6.2
105.00308	0.6
106.37690	0.6
109.01427	1.3
113.00864	1.3
117.03387	1.8
119.01910	22.9
121.02883	0.8
127.02383	3.2
127.03946	0.7
129.03957	0.9
131.01889	8.8
133.03493	0.9
135.04352	3.3
137.02921	4.0
139.02417	1.0
142.03493	1.0
143.01878	15.3
145.03499	19.1
146.99605	0.6
147.01378	1.0
147.05034	1.1
149.02963	2.5
153.03928	1.1
155.01865	11.5
157.03448	6.6
159.04994	3.9
161.02936	25.0
163.03836	23.4
164.04262	0.7
167.01874	5.9
168.05113	0.6
169.03438	24.5
171.05028	10.0
173.02945	21.3
173.06503	0.7
175.04485	2.7
177.00751	0.8
177.02295	0.8
179.01918	2.3
181.03528	3.1
183.05006	0.9
184.04530	0.7
185.02934	36.2
187.04504	33.1
189.02507	1.9
189.06088	1.6
191.03972	1.0
193.03444	1.0
195.04999	0.7
196.04555	1.0
197.02924	21.2
197.04745	1.2
198.03217	0.6
199.04478	4.1
201.00771	0.7
203.02065	0.5
203.03981	13.3
207.03426	0.7
208.04558	1.2
209.03059	2.6
209.04843	0.8
210.06120	1.2
211.04471	5.3
213.02434	2.9
213.06053	1.3
215.03984	20.8
217.05545	1.5
221.02945	9.3
221.05078	6.5
223.04520	2.0
225.02316	0.8
227.03990	8.3
229.05508	2.4
231.03532	4.8
233.05031	2.7
237.02876	0.7
238.25615	0.6
239.03943	5.1
239.06143	6.3
241.05460	1.4
243.03568	0.7
244.04427	0.6
245.05048	84.7
246.05328	2.0
249.94472	0.6
251.06236	0.9
253.05685	0.8
255.03719	0.8
257.01398	0.7
257.02206	0.6
257.05090	7.0
263.06149	17.6
271.04202	1.2
271.06677	2.0
275.02582	8.1
275.06067	100.0
276.06274	2.2
281.04724	1.3
286.07690	0.7
287.02527	3.1
287.06067	8.6
289.07938	1.3
291.05713	0.9
293.03519	2.9
293.07101	10.8
299.06015	1.4
305.03629	3.2
305.07117	19.6
316.08722	2.5
317.07343	3.8
319.01056	0.6
319.08688	2.1
323.08234	1.3
331.06598	1.1
335.04456	2.7
335.08130	11.0
347.08026	1.5
349.07571	2.5
359.04626	2.3
359.08505	1.1
365.09198	10.8
367.08902	1.0
377.05215	6.2
377.09366	2.1
383.09946	2.2
395.06384	10.5
418.10187	0.7
437.09213	16.7
449.09372	3.4
455.10352	3.3
467.10123	1.1
539.13531	2.5
557.14557	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99848	1.3
61.02932	1.0
69.03398	1.2
71.55783	0.8
71.56175	1.4
73.02898	1.1
77.00885	2.5
81.03400	0.8
85.02879	1.2
89.00893	1.0
89.58443	0.6
91.03958	0.7
95.01920	1.8
97.02856	1.6
101.00844	1.8
101.93785	0.7
109.02750	0.7
119.01922	5.6
127.02415	0.9
131.01875	2.7
135.01372	1.1
139.02425	1.4
142.20226	0.6
143.01872	2.1
145.03438	5.8
153.02374	0.8
155.01843	0.7
155.47287	0.6
157.03473	8.9
161.02937	1.7
169.03438	2.4
171.04979	0.8
173.02986	2.2
175.04489	2.1
181.03413	1.0
185.02956	3.7
187.04485	2.1
197.02892	1.5
203.04028	7.4
212.04465	1.7
215.03889	1.3
221.05037	23.7
222.05125	1.0
237.02788	0.9
239.06096	29.7
240.06493	0.9
245.05144	2.1
255.03850	1.0
256.50195	0.6
263.06107	43.5
264.06439	0.9
275.06085	100.0
276.06247	3.1
277.07764	1.4
287.06100	4.3
289.07663	8.4
291.05566	8.1
293.07196	1.4
294.52365	0.8
299.06052	1.6
305.07214	8.7
307.08661	0.8
317.07062	4.6
335.08060	0.9
335.54132	0.8
347.08145	1.1
359.08136	0.9
365.09213	11.4
365.59125	1.7
366.09567	0.9
373.58185	1.0
377.09332	6.3
383.10303	11.5
384.10498	0.8
395.10355	5.3
425.06729	1.3
425.56699	1.3
426.06311	1.1
453.11166	0.9
539.14502	18.9
557.15802	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	557.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98541	0.5
53.03937	0.6
53.97647	0.5
55.05496	0.7
59.18905	0.5
67.05482	1.5
69.03422	0.6
69.53304	0.6
71.28038	0.6
71.54160	0.7
79.05460	2.1
81.03410	0.8
81.07028	2.3
84.66763	0.6
85.02886	1.1
91.05498	2.6
93.03372	0.5
93.07020	1.5
95.04945	1.6
95.08587	1.1
101.68036	0.5
103.05448	37.6
104.05772	1.1
105.07025	1.4
107.04945	1.9
107.08583	1.0
109.06479	0.9
109.10168	0.7
111.04401	1.4
117.07009	0.6
119.04888	0.7
119.08611	0.6
121.06494	1.4
121.10113	0.8
122.03637	1.1
123.04471	0.8
125.05969	0.8
131.04907	100.0
132.05217	1.5
133.02914	0.5
133.06531	0.7
135.04341	0.8
137.05959	36.0
138.06281	1.0
145.10069	0.6
145.76534	0.6
147.04387	1.2
147.08096	0.7
147.11652	0.7
149.05980	0.8
151.03836	0.9
151.07544	0.9
153.05496	1.3
155.08403	0.5
161.05948	2.9
161.09575	0.9
163.07518	34.2
164.07823	0.6
165.05286	0.7
175.07544	1.1
177.05409	0.6
181.08598	0.8
189.09132	0.7
201.09142	0.6
207.10028	0.7
215.35855	0.5
241.08492	0.6
253.08496	1.1
303.12250	1.8
311.12628	0.5
329.13638	0.9
395.24039	2.1
459.27444	1.7
557.28595	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	557.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.41903	1.0
55.01867	42.4
55.02136	2.3
65.03939	3.4
67.05492	2.6
68.02634	1.3
70.06602	2.0
71.56486	1.7
79.05478	5.7
81.03427	2.4
81.07047	3.9
83.04975	3.8
85.02921	0.9
91.05468	7.8
93.03390	2.3
93.07000	4.7
94.04173	3.2
95.04964	13.0
95.08604	1.8
97.06541	2.8
99.04457	1.1
103.05459	31.8
105.07015	5.5
107.04943	11.2
107.08591	2.4
109.02869	1.2
109.06522	1.8
109.10151	1.0
111.04422	11.4
115.05444	2.2
117.07005	3.1
119.04913	2.9
119.08596	1.1
121.06479	8.5
121.10131	1.4
122.03658	6.8
123.04424	15.3
125.05968	5.6
127.03919	2.4
129.07013	1.1
131.04912	67.3
131.08614	1.1
133.02861	2.3
133.06493	3.4
133.10066	0.9
134.01984	0.9
135.04425	4.2
135.07991	1.8
137.05963	100.0
141.05495	1.7
143.08493	1.2
145.06482	3.0
145.10104	1.4
146.07185	1.2
147.04385	3.2
147.08067	1.4
149.05989	7.6
151.03891	21.5
151.05093	1.6
151.07494	4.5
153.05464	10.6
153.06822	1.5
159.08047	1.2
161.05981	10.7
161.09595	2.3
162.03117	1.1
163.03874	6.0
163.07533	31.9
165.05478	2.9
165.06940	1.1
165.09125	3.1
167.07022	4.0
169.06454	1.7
173.05948	2.0
175.07515	6.0
176.91463	1.0
177.05455	18.1
177.09062	1.7
178.06235	7.3
179.06995	2.6
181.04956	1.5
181.06465	2.5
181.08527	4.5
181.10001	0.9
182.07149	1.3
183.08104	1.3
187.07535	2.0
189.05431	1.4
189.09087	4.3
191.06960	2.1
193.06451	2.2
195.06514	43.1
196.07130	1.4
196.09625	1.0
199.07561	1.2
201.09164	1.7
205.08647	1.1
207.10147	3.1
210.06873	1.2
211.07512	2.1
212.08348	1.2
213.09140	2.0
217.08659	1.6
219.10172	4.3
221.05986	2.7
223.07535	1.5
225.09091	3.2
229.08601	2.1
241.08647	1.8
243.10403	1.0
253.08728	2.1
255.10213	2.7
257.08020	1.4
267.10257	1.8
267.91190	1.0
271.09644	1.4
279.10135	1.7
283.09619	1.4
285.11270	4.7
307.09918	1.2
327.11978	1.3
329.13892	1.6
513.19843	2.7
557.30286	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	557.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.1
55.01864	10.4
55.05259	2.7
55.05504	33.4
57.03413	7.3
65.03910	3.9
67.05495	61.3
69.03405	5.2
69.07056	19.1
70.93105	3.6
71.04967	7.9
74.39767	1.8
77.22254	1.8
79.05482	46.6
81.02974	3.0
81.03410	37.2
81.06584	3.7
81.07045	67.3
83.04971	12.6
83.08604	15.1
85.02887	2.2
85.06509	5.1
85.33321	2.1
91.04892	2.6
91.05470	52.6
93.06471	2.5
93.07035	42.9
93.35140	1.6
95.04962	27.6
95.08038	3.0
95.08595	36.1
96.05222	1.8
97.06481	8.1
97.10154	12.1
103.05428	2.0
104.10667	2.4
105.07011	41.0
107.04945	15.9
107.08583	26.7
109.06475	12.4
109.09472	2.6
109.10152	33.8
111.08062	6.5
115.05456	3.6
117.07024	18.0
119.07800	2.0
119.08578	23.1
121.06505	14.3
121.10109	9.6
123.04413	2.2
123.08078	10.0
123.11642	5.3
125.09602	8.4
128.06183	4.7
129.06979	14.6
130.07751	2.6
131.04878	3.1
131.08545	24.3
133.06467	10.3
133.09129	2.3
133.10110	43.4
134.95612	1.8
135.07991	7.2
135.11661	5.4
137.05920	2.3
137.09592	4.3
141.06960	6.4
143.08540	11.9
145.06503	9.3
145.10110	13.0
147.04390	2.3
147.08006	8.9
147.11647	8.3
148.20169	1.8
149.09607	9.3
149.13220	2.0
151.11174	14.0
155.08513	8.5
157.06508	2.9
157.10097	13.4
159.08051	11.4
159.11623	9.1
161.05977	3.3
161.09604	9.1
161.13194	2.6
163.07466	2.2
163.11147	5.6
167.08609	2.7
169.10114	8.5
169.12231	3.1
171.07991	6.3
171.11612	9.1
173.05952	2.7
173.09601	8.1
173.13179	2.7
175.07535	2.6
175.11160	11.8
177.12775	2.9
179.08589	1.9
181.10086	3.2
183.07948	2.4
183.11636	7.1
185.09543	6.4
185.13240	3.0
187.11186	5.6
189.09094	2.5
189.11137	3.1
189.12675	2.5
191.14301	2.1
193.12230	10.1
195.11673	6.0
197.09550	4.6
199.11102	4.8
201.12720	4.3
205.12134	3.6
209.13202	4.4
211.11140	2.7
213.12747	3.2
215.14456	2.4
217.22192	2.0
221.13220	2.0
225.12685	2.6
227.12732	2.8
232.07179	1.8
233.53094	1.9
239.14238	2.2
241.15820	2.2
243.13692	3.9
245.18964	3.4
253.11967	3.2
253.14288	32.7
257.15274	2.2
263.16592	2.0
267.15805	2.7
269.15155	2.0
269.18939	2.1
271.16672	2.2
273.18478	9.1
275.20047	4.5
285.18533	2.5
287.19980	27.5
289.18085	1.8
291.19449	10.4
295.20508	2.1
297.18414	2.7
301.21594	2.2
311.19778	2.2
313.21521	6.1
325.21719	2.0
329.20935	3.6
330.77588	1.9
341.21204	2.7
343.22690	3.5
365.20728	2.0
369.20364	2.8
403.24719	2.5
419.29651	2.7
447.28671	8.2
461.25391	10.2
465.29868	20.6
475.26721	3.0
483.30856	8.5
487.26593	3.1
488.91806	2.1
525.35278	5.8
527.34326	2.0
539.33557	27.4
557.34534	100.0
558.34851	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	557.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.01657	0.9
55.01867	10.6
55.05502	32.2
57.03416	3.6
57.07070	1.3
57.96448	0.9
59.04975	1.4
63.49026	1.0
65.03931	2.4
67.05494	37.8
69.03418	7.3
69.07054	20.7
69.42102	8.5
71.04967	3.7
73.00359	1.1
79.05480	38.6
81.03406	44.0
81.06570	1.9
81.07043	33.2
83.04968	7.5
83.08605	16.2
85.06520	1.8
89.53139	1.1
91.05468	36.3
93.07031	24.6
95.04955	23.8
95.08586	17.9
97.02880	6.0
97.06510	5.8
97.10152	17.3
103.05446	1.3
105.07011	24.0
107.04934	14.2
107.08576	19.0
109.06507	8.5
109.10135	11.3
111.04464	1.4
111.08054	5.2
115.05457	1.7
117.07008	12.7
119.08560	21.7
121.06480	9.9
121.10112	8.4
123.08049	5.1
123.11698	2.1
125.09615	13.2
128.06204	3.1
129.06985	10.7
131.04985	1.1
131.08556	16.9
133.06500	5.6
133.10121	12.8
135.08038	7.6
135.11687	4.8
137.09610	3.0
141.07010	3.3
142.07761	4.0
143.08566	6.2
145.06454	5.9
145.10115	12.9
146.07239	1.3
147.08080	7.0
147.11668	6.1
149.09590	5.7
149.13266	2.0
151.11110	1.9
153.09068	1.9
155.08556	4.0
157.06560	1.7
157.10100	8.3
159.08061	4.0
159.11658	6.8
161.05911	1.1
161.09601	3.6
161.13240	2.0
163.11157	4.5
165.12701	1.3
167.08524	1.8
169.10059	2.5
171.08057	1.8
171.10258	1.6
171.11671	3.9
173.05984	1.2
173.09618	3.5
173.13286	3.5
175.11215	6.6
177.08945	1.3
181.10165	2.1
183.11633	3.2
185.09615	3.8
185.13237	2.1
187.11140	2.8
189.09445	1.6
189.11206	10.0
189.12749	2.3
191.14246	1.9
193.12207	11.1
195.11638	1.6
197.09550	1.3
197.13269	2.3
199.11209	2.1
199.14876	1.7
201.12738	3.3
203.10536	1.4
205.12222	3.5
209.09717	1.3
209.13200	1.6
211.14691	1.2
213.12822	2.1
219.13724	12.5
223.13231	11.0
227.12735	11.0
227.18040	1.7
231.13747	1.7
245.18874	2.3
249.14818	1.8
251.18332	1.2
253.14217	2.6
255.17528	1.1
259.16995	1.4
267.15808	1.3
273.18420	12.6
275.20090	2.7
287.20175	1.7
291.19492	50.8
297.18500	2.0
299.10709	1.3
310.34137	1.2
313.21506	9.7
315.19427	2.6
347.22223	1.8
353.20920	1.8
365.23203	2.1
371.22040	1.8
389.23309	1.3
445.25748	4.7
447.28720	3.1
459.27054	1.5
465.29813	8.1
483.31018	8.8
529.35101	1.6
539.33673	22.0
557.34656	100.0
558.35205	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	557.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01867	10.8
55.05253	2.7
55.05502	33.6
57.03423	5.4
57.07061	1.7
59.04951	1.8
65.03923	2.4
65.05254	1.5
67.05498	38.4
68.70804	1.4
69.03416	7.2
69.07056	19.1
70.13017	1.3
71.04990	1.8
79.05124	0.9
79.05484	36.2
81.03407	47.5
81.07044	36.2
83.04961	6.3
83.08600	18.3
83.85184	1.3
85.06513	2.1
91.05468	34.9
93.07025	21.6
95.04955	27.5
95.08601	18.4
97.02889	7.5
97.06525	5.6
97.10152	17.4
99.08090	1.7
103.05486	1.5
105.07021	28.7
107.04949	16.8
107.08579	20.1
109.06503	7.6
109.10143	14.3
111.08073	4.9
115.05470	2.8
117.07003	14.7
119.04927	3.5
119.08562	18.4
119.42223	1.2
121.06501	9.4
121.10143	9.2
123.08054	4.0
123.11771	1.4
125.09625	15.0
128.06238	2.4
129.06995	10.9
131.04932	2.4
131.08559	14.4
133.06473	6.1
133.10106	13.2
135.04445	2.2
135.08009	6.7
135.11690	3.4
136.08244	1.3
137.09605	3.7
139.66367	1.8
141.06985	1.8
142.07780	3.9
143.08551	8.0
145.06445	7.2
145.10109	12.0
147.08006	8.4
147.11696	6.1
149.09624	4.8
151.11201	2.9
153.09103	2.7
155.08548	5.2
157.06476	1.6
157.10127	8.2
159.08041	5.1
159.11676	4.8
161.09628	5.3
163.11201	3.7
165.09073	1.7
165.12712	1.9
167.08658	2.5
169.10147	3.1
171.08083	3.1
171.10274	1.9
171.11673	3.2
173.09631	3.2
173.13220	3.3
175.11246	7.3
177.12756	1.5
181.10046	1.5
183.11707	3.3
185.09657	1.9
185.13187	3.3
187.11256	1.7
189.09569	1.8
189.11227	9.6
189.12691	2.0
191.14357	2.0
193.12186	11.5
199.11110	2.4
201.12813	3.3
205.12270	2.8
211.11243	1.8
219.13817	12.6
220.50113	1.2
223.13211	10.8
227.12663	10.3
229.66455	1.4
249.14738	2.1
253.14383	2.8
255.17319	1.8
271.13074	1.5
273.18472	11.1
275.20059	1.9
287.20059	1.9
291.19501	49.8
295.20731	1.6
297.18344	2.2
305.15509	1.4
311.20242	1.6
313.21542	9.9
315.19547	3.3
343.13144	1.6
347.22195	1.6
365.23499	1.5
371.22263	2.5
377.83685	2.0
379.00534	1.6
401.13828	1.5
419.29437	1.5
445.25870	4.3
447.28824	4.0
459.27802	1.9
465.29883	8.0
483.30875	9.4
539.33588	24.3
557.34656	100.0
558.35028	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	557.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50132	1.1
51.02358	1.3
52.15978	1.3
53.03937	5.1
55.01867	5.8
55.05504	22.7
57.03432	7.3
57.07070	2.9
63.58497	1.1
65.03931	2.2
67.05497	46.0
69.07059	18.4
69.29388	6.7
69.29813	4.8
71.04981	2.8
79.05480	40.1
81.03422	3.6
81.07045	47.6
81.07521	2.6
83.04961	3.8
83.08601	10.4
85.06542	3.1
86.54440	1.0
91.05470	38.6
93.07032	43.7
95.04977	6.8
95.08596	32.6
97.06529	4.2
97.10158	4.5
99.08050	1.4
103.05412	1.9
105.04514	2.2
105.07018	36.4
107.04947	5.3
107.08573	22.7
109.06512	5.1
109.10134	13.1
111.08102	1.7
115.05476	2.3
117.06997	20.1
119.08566	29.1
121.06509	2.9
121.10114	10.9
123.08088	3.7
123.11679	3.8
125.09633	2.1
128.06227	5.2
129.06993	22.8
130.07823	2.0
131.08553	39.1
133.06505	1.6
133.10117	20.7
133.11078	1.7
135.08063	3.1
135.11655	9.5
141.06938	9.4
142.07780	4.2
143.08548	24.8
143.09695	1.7
145.06493	1.5
145.10106	32.7
147.08051	4.0
147.11678	18.3
149.09598	2.2
149.13248	4.7
151.11165	1.7
153.07025	1.9
154.07771	2.4
155.08540	21.9
156.09361	2.1
157.10123	21.6
159.08072	1.8
159.11667	22.2
159.50264	1.1
161.09633	2.3
161.13239	11.5
163.11151	3.0
163.14810	1.9
165.07014	1.7
167.08565	8.8
168.09325	4.8
169.10101	25.2
170.10909	1.8
171.07950	1.5
171.11667	23.2
173.09605	2.1
173.13235	14.0
175.11127	2.8
175.14856	5.0
177.12782	2.9
178.25691	1.1
179.08574	4.0
180.09363	2.1
181.10106	16.6
182.10925	2.0
183.11655	17.6
184.12415	1.3
185.09650	1.8
185.13222	15.8
187.11061	2.9
187.14774	6.9
189.12691	2.9
193.10120	4.8
195.11685	15.9
195.13382	1.7
196.12515	1.2
197.13222	15.9
199.11185	1.6
199.14789	9.6
201.16379	2.8
205.10098	1.9
207.11758	6.1
207.13875	4.9
209.13228	11.0
211.14795	10.4
213.16351	11.0
215.17963	1.3
219.11736	1.4
221.13284	4.1
223.14812	7.3
225.16452	3.5
229.15945	1.1
231.21021	1.3
233.13316	1.5
235.14864	3.3
237.16414	4.9
239.18031	3.5
241.14174	1.8
241.19502	9.5
247.16939	2.8
249.16348	1.7
251.17876	2.1
257.19144	2.2
259.20529	13.5
263.17889	1.9
265.19797	1.6
277.19537	1.4
279.15948	4.3
281.17340	9.0
283.20728	1.5
287.20068	3.5
293.18848	1.8
295.20599	2.7
297.18967	1.7
297.22113	3.0
299.23563	1.5
307.20663	1.8
311.20212	2.1
311.23676	2.0
313.21625	1.6
313.25510	1.2
315.23203	1.9
321.22141	2.9
323.23822	3.1
325.21536	2.1
325.25211	1.6
327.23438	1.6
333.24338	3.9
335.23618	3.0
337.25262	1.4
339.23044	2.5
349.25232	1.3
351.23370	1.9
353.24857	2.8
419.33096	5.3
429.31409	6.5
435.32361	1.7
437.34152	12.1
447.32526	25.3
455.35748	2.2
465.33582	30.9
483.34760	20.5
484.35114	1.6
485.33661	1.8
501.35757	3.8
509.36151	1.3
511.37970	2.6
521.36334	8.7
527.37469	2.5
529.38721	8.2
539.37262	100.0
540.37836	3.5
557.38379	58.6
558.38623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39441	2.1
53.03931	5.7
54.18818	1.8
55.01864	6.5
55.05507	21.1
57.03432	7.2
57.07061	4.3
58.06591	2.0
59.06130	3.6
60.05666	2.3
65.03926	4.3
67.05154	3.1
67.05495	49.8
69.03453	1.8
69.07052	18.8
71.04976	4.3
71.57669	2.9
79.05482	44.7
81.03403	6.6
81.07050	50.0
83.04974	7.7
83.08622	13.7
84.00309	1.9
85.06520	2.9
91.05476	36.9
93.07036	44.9
95.04955	11.7
95.08594	36.5
97.06527	7.7
97.10152	7.4
105.07019	43.5
107.04953	8.3
107.08572	24.5
108.08953	1.9
109.06514	7.5
109.10139	13.0
111.08098	4.0
113.24522	2.1
115.05415	4.4
116.06255	2.5
117.06995	16.6
119.08568	31.8
121.06505	4.0
121.10119	14.6
123.08057	5.5
123.11660	2.7
125.09611	3.6
128.06197	5.0
129.06989	22.1
131.08540	32.9
133.10129	21.9
135.08052	3.8
135.11658	11.9
137.09599	2.7
141.06995	6.6
142.07811	4.7
143.08537	24.8
145.06396	3.1
145.10106	28.9
147.08119	3.1
147.11665	16.3
149.09619	4.8
149.13246	3.6
151.11125	1.7
153.06953	2.9
154.07788	2.3
155.08566	19.9
157.10106	24.5
159.08089	3.5
159.11710	19.5
161.09608	4.7
161.13240	11.2
163.11137	9.5
166.07877	1.8
167.08574	7.5
168.09352	1.9
169.10104	22.1
171.08015	2.1
171.11671	19.6
173.09612	3.3
173.13217	11.2
175.11130	3.6
175.14856	4.0
179.08586	4.1
179.14282	2.3
181.10069	11.9
183.11641	16.0
185.09651	2.3
185.13275	15.7
187.11266	2.5
187.14841	5.1
189.12639	2.8
193.10165	4.3
195.11673	12.6
197.13234	14.9
199.11049	2.4
199.14818	9.2
201.12700	2.2
207.11720	6.1
207.13716	3.9
209.13249	10.2
211.14853	7.7
213.16382	7.9
219.11774	2.4
219.17517	1.8
221.13336	4.2
223.14760	5.9
225.12669	1.9
225.16338	5.5
227.12630	8.6
235.14725	3.3
237.16373	2.7
239.17813	2.2
241.19496	7.0
252.14041	1.8
257.19113	3.3
259.20706	9.7
271.16910	3.6
275.20093	12.7
279.16013	4.2
281.17490	5.7
297.21982	2.2
307.20340	1.9
323.20059	2.0
323.23624	3.3
333.24249	3.3
335.23621	2.5
349.25168	2.7
353.24533	3.2
419.32956	3.8
429.31516	6.1
437.34247	11.5
447.32623	24.8
465.33704	30.6
483.34946	18.0
503.35004	3.4
511.37585	3.6
521.36200	7.9
529.38727	8.0
539.37317	100.0
540.37817	3.0
557.38739	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76066	3.3
53.03947	3.9
55.01856	10.3
55.05504	41.3
57.03415	7.6
57.07055	4.3
65.03912	5.3
67.05496	88.8
69.07057	23.9
69.64674	27.8
71.04988	6.0
79.05482	60.2
81.03395	10.9
81.07052	70.1
83.04949	6.7
83.08599	15.9
91.05469	53.0
93.07034	66.8
95.04957	20.9
95.08588	49.8
97.06523	7.3
97.10155	9.4
98.20761	4.3
99.08064	4.7
105.07013	44.4
107.04955	13.4
107.08588	37.3
108.15026	3.7
109.06561	4.8
109.10169	30.6
109.65370	4.0
117.06998	28.0
119.08553	25.0
121.10149	28.1
123.11693	6.9
125.09618	5.5
128.06184	7.4
129.06985	13.2
131.08557	35.4
133.10092	27.8
135.08044	6.1
135.11661	11.3
137.09578	4.3
141.06979	5.8
143.08527	18.6
145.06479	4.3
145.10080	29.8
147.08000	5.9
147.11658	12.2
149.13245	8.8
155.08525	10.5
157.10103	13.9
159.11617	23.3
160.93559	4.6
161.13301	6.5
163.11172	4.4
169.10118	10.7
171.11687	10.7
173.13225	10.8
181.10039	6.4
183.11687	6.1
183.75537	4.7
185.13225	8.1
187.11153	4.4
195.11652	5.4
197.13217	7.2
199.14915	5.5
205.12242	4.9
209.13275	6.0
223.13150	20.8
279.15802	5.5
399.91321	4.7
447.32755	9.3
465.33322	12.6
483.34818	4.2
504.33151	3.9
539.37097	35.9
557.38373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01864	2.4
55.05504	1.2
56.96543	1.1
57.03421	2.2
58.24829	0.8
61.02913	1.2
67.05497	3.9
68.99730	0.8
69.03416	4.1
69.07050	4.8
71.04972	2.5
71.10185	1.4
78.58656	0.8
78.78392	0.8
79.05079	1.1
79.05488	7.0
81.03395	0.8
81.07037	2.4
83.01334	1.9
83.04969	3.5
85.02894	11.0
89.03918	6.0
91.03921	1.0
91.05466	4.1
93.07029	1.9
95.04945	1.7
97.02895	4.4
97.06521	9.2
98.97591	1.2
99.04459	1.6
103.03896	0.9
105.07006	2.3
107.04937	2.3
107.08581	31.7
107.92320	0.9
109.02880	1.2
109.06487	2.2
109.09437	0.8
109.10146	19.8
111.04440	3.3
111.08138	1.0
115.05403	1.5
117.03374	4.7
117.07002	4.2
118.70293	1.0
123.04398	2.4
123.08036	1.1
125.05126	0.7
125.05946	5.0
125.09637	3.5
127.03891	4.9
128.98578	1.1
135.04411	8.9
135.08032	39.2
136.87473	0.8
137.09608	9.7
139.03893	1.3
143.07018	2.1
144.08060	1.6
145.02863	7.0
145.04953	4.9
153.09077	18.4
161.01282	0.9
163.03888	43.7
163.07518	51.6
164.04233	2.0
164.07872	1.0
177.05460	3.5
181.08559	20.5
199.09630	100.0
200.09993	1.6
217.10693	10.7
235.31989	0.8
237.00591	1.1
237.02921	1.4
249.02878	0.9
251.98187	2.6
252.98033	2.2
288.17691	0.9
293.08987	1.3
407.12238	1.5
408.02338	1.8
409.01904	1.0
485.78265	1.0
563.79987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
69.03423	10.7
69.07063	8.0
70.08342	2.1
79.05470	0.8
81.03409	0.9
83.04968	11.1
85.02904	3.8
86.42305	0.4
87.04459	0.6
89.03865	0.5
91.05479	0.7
97.02883	1.5
97.05895	0.7
97.06524	12.6
105.21869	0.4
107.04940	0.5
107.08610	0.5
117.03365	0.5
118.16606	0.4
125.05982	58.6
126.06287	0.6
127.03915	0.8
135.04402	0.9
135.08032	0.6
143.07024	100.0
144.07385	0.7
145.04958	1.3
147.04405	1.5
153.09067	0.4
163.03891	3.0
163.07478	0.5
180.08594	0.6
181.08597	1.5
199.09645	14.2
199.11470	0.8
217.10696	50.3
420.82889	0.4
577.30176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55637	3.8
69.03404	5.4
71.01178	9.8
76.87368	3.5
79.05515	5.0
85.02892	16.6
91.05455	13.4
94.04165	3.7
97.02838	4.7
103.05458	20.2
105.07004	11.4
107.04944	29.2
115.05423	6.0
119.04937	15.2
122.03616	5.2
125.93765	3.7
127.03906	6.7
131.04910	32.6
133.02824	5.1
133.06482	10.0
135.08057	10.0
137.05968	100.0
145.04909	4.7
147.04417	16.9
149.05966	10.5
151.07503	36.4
157.06441	3.4
161.05971	64.9
161.09578	11.1
162.06715	8.9
163.07526	84.4
175.07552	16.4
175.64267	3.6
177.05464	4.0
177.09071	17.8
179.07033	10.8
181.08635	12.9
189.09088	45.4
191.07060	4.9
207.10126	82.1
219.10147	7.6
221.11665	5.2
223.07613	4.0
227.10594	7.4
253.08548	4.2
253.12311	4.0
255.10234	6.9
267.92865	4.2
281.11890	4.2
285.11288	8.5
287.12769	22.2
297.11182	5.3
311.12735	11.9
313.14291	23.9
325.14359	3.7
331.15329	42.5
343.15387	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	558.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	10.7
71.01160	12.2
81.03406	11.4
85.02903	19.4
91.05460	16.3
97.02869	6.8
100.86279	5.2
103.05466	11.7
105.07047	20.5
107.04938	39.0
109.02889	7.1
119.04930	15.9
119.08595	5.5
121.06524	7.0
122.03587	6.3
127.03914	10.6
129.06992	6.9
131.04921	21.8
133.02853	22.2
133.06435	12.2
135.08026	9.0
137.05963	100.0
147.04399	19.3
149.05998	20.5
151.07535	35.1
157.06429	7.2
161.05981	94.3
161.09621	17.9
162.06801	6.9
163.07523	63.6
165.05560	5.7
165.09181	6.8
175.07489	8.3
179.07045	22.3
181.08577	10.5
189.09102	38.0
191.07130	13.9
207.10156	62.1
285.11176	6.2
287.12903	7.3
291.12250	12.2
297.11414	5.1
313.14325	8.9
331.15494	35.7
343.15427	10.6
383.07773	5.6
414.58020	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	558.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
57.07076	6.3
58.06581	2.3
58.64353	0.8
65.03938	0.8
67.05493	2.3
69.07046	1.7
70.00957	2.8
70.01375	2.1
70.06584	19.7
71.08619	4.2
79.05476	2.5
81.03404	1.6
81.07029	3.3
83.04975	1.2
83.08609	1.0
84.92825	0.9
88.07619	25.3
91.05470	2.5
92.34238	0.8
93.07040	1.9
93.44259	0.9
95.04946	2.2
100.57500	0.9
102.09175	15.0
105.06989	1.5
107.08559	0.9
108.05324	0.9
109.02878	0.9
127.06702	0.8
131.04939	1.2
131.08525	0.9
149.02330	51.6
149.03336	2.0
154.23579	0.8
162.69220	0.9
169.98160	0.7
175.03847	1.4
177.55939	0.9
193.03477	0.6
193.04944	54.2
200.20076	54.6
219.06520	1.6
225.05396	1.3
268.08884	1.0
269.04343	2.0
297.03967	3.7
313.07013	3.4
321.38763	1.0
341.06537	11.0
359.07492	5.6
385.09125	58.6
400.33383	0.9
540.25952	1.3
540.33771	1.6
558.26880	100.0
559.27338	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	559.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63004	0.3
52.13121	0.4
53.18373	0.3
55.05466	0.6
67.05479	0.5
69.03381	0.6
69.41246	1.4
69.41660	2.2
70.06533	0.8
79.05460	0.6
81.07030	0.9
84.08096	0.6
85.02869	1.0
85.64325	0.4
87.95055	0.4
91.05403	0.5
93.06994	0.8
95.08543	0.6
100.11187	0.6
103.05441	0.5
103.55338	0.4
105.06926	0.5
109.06465	0.5
109.10092	0.6
109.58418	0.5
121.06406	0.4
121.10052	0.5
131.04906	2.3
132.05206	1.2
133.94348	0.4
137.05943	0.7
163.07462	0.4
185.04172	0.6
185.24162	0.4
206.64366	0.5
217.08563	1.3
232.81821	0.4
365.48691	0.4
367.24387	2.0
379.24377	1.0
397.25558	87.6
398.25873	2.6
530.09949	0.4
551.56445	0.4
559.30829	100.0
560.31177	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	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
52.06017	1.3
53.00306	1.7
53.03933	5.3
53.15408	1.4
55.01869	8.6
55.05506	40.7
56.05812	1.3
57.03431	4.8
57.07060	2.9
65.03936	5.4
67.05497	72.3
68.05859	1.8
69.03425	6.0
69.07062	32.8
69.33156	11.8
71.04980	5.4
71.08623	1.9
79.05485	57.5
81.03416	4.3
81.07050	71.5
83.04973	6.5
83.08604	16.0
85.06533	4.5
85.24379	1.3
91.05476	48.5
93.07034	60.4
94.07381	1.4
95.04959	13.8
95.08599	37.5
97.02883	7.4
97.06518	8.1
97.10157	18.7
98.20747	2.3
99.00822	4.6
99.08092	1.6
103.05424	1.4
105.07017	39.2
107.04935	8.9
107.08584	42.4
108.53038	1.3
109.02861	5.7
109.06537	4.4
109.10142	15.0
111.04493	1.8
111.08038	7.0
115.05444	2.2
116.06187	1.7
117.06998	19.5
119.08572	25.5
119.09348	2.4
121.06509	6.0
121.10133	22.3
123.08083	4.4
123.11697	6.5
125.09634	13.9
128.06239	2.6
129.06995	9.5
131.08557	25.8
133.06476	3.5
133.10118	30.6
133.11055	2.0
135.08047	5.3
135.11696	15.5
137.09610	2.5
137.97804	1.3
139.11195	1.7
141.06993	1.8
143.08495	8.0
145.06459	2.6
145.10101	15.0
147.08046	6.7
147.11697	6.6
149.09637	3.8
149.13264	11.8
151.11176	5.8
153.09155	2.5
153.12828	1.7
155.08580	5.0
157.10143	6.8
159.08028	1.9
159.11659	16.1
160.90785	1.3
161.09633	9.6
161.13278	6.2
163.11165	3.6
163.14874	1.3
165.09074	2.5
167.08688	1.7
169.10159	5.0
171.08052	2.1
171.10370	1.3
171.11641	6.4
173.13203	7.0
175.11224	3.2
175.14780	2.7
177.12746	1.5
177.16490	1.3
179.10587	3.4
181.12222	1.7
183.11702	4.7
185.13269	4.5
187.11224	2.1
187.14847	3.2
189.09132	5.4
189.11220	5.9
189.12682	1.5
195.11783	1.7
195.13817	3.1
195.68886	1.3
197.09686	1.4
197.11641	2.4
197.13329	3.0
199.14850	3.2
209.13330	2.1
211.14990	1.6
219.27400	1.3
222.93398	1.3
223.13167	6.7
225.11150	6.8
227.12814	6.0
245.19078	1.9
255.17490	1.7
259.20480	2.6
261.22177	5.4
271.20410	1.7
273.18423	13.8
275.20068	2.8
277.21689	4.3
281.13904	4.9
281.19043	1.8
287.23752	5.1
291.19504	49.8
295.20401	1.5
297.21997	2.7
299.20221	2.1
301.21573	1.6
315.23044	13.2
333.24234	1.4
347.22202	2.7
403.29782	1.8
421.31073	5.7
431.29269	2.3
439.31982	3.3
439.51563	1.7
449.30807	7.5
457.33212	5.1
464.82132	1.4
467.31601	13.0
485.32855	9.7
513.35828	9.6
513.84705	1.5
515.37604	1.9
523.33582	3.5
531.36841	10.4
541.35168	31.2
559.36249	100.0
560.36438	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	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.9
53.03931	6.7
55.01862	8.7
55.05505	49.8
57.03416	5.1
57.07070	2.4
59.04983	4.7
60.99916	1.5
65.03924	6.2
67.05496	72.5
69.03419	5.0
69.07056	20.2
71.01893	1.7
71.04968	5.1
79.05485	61.3
80.21828	1.6
81.03393	5.1
81.06573	4.1
81.07046	72.4
83.04968	7.8
83.08617	23.0
83.76083	1.7
85.06539	2.8
91.05467	55.2
93.07031	65.1
93.07622	3.1
95.04952	11.6
95.08595	45.1
97.02861	4.2
97.06525	6.9
97.10155	22.0
99.00806	9.5
103.05505	2.1
105.07023	46.7
107.04951	7.7
107.08583	48.4
109.02882	10.1
109.06477	5.0
109.10150	19.6
109.95924	1.6
111.04453	1.8
111.08084	7.3
115.03938	2.1
115.05434	3.1
117.07004	17.2
119.08571	29.2
121.06477	5.7
121.10126	25.1
123.04468	2.0
123.08054	3.1
123.11704	5.5
125.09621	18.5
127.03890	1.6
128.06212	4.1
129.06955	11.8
130.07788	2.1
131.08556	27.1
133.06427	3.0
133.10118	46.2
135.08051	6.9
135.11668	17.6
137.13174	1.7
141.06961	4.3
142.07796	2.3
143.08545	14.5
145.06494	2.8
145.10098	18.2
147.08046	4.3
147.11633	11.6
149.09590	4.9
149.13248	7.2
151.11229	10.0
153.12715	3.0
155.08554	7.1
157.10091	11.0
159.08017	4.0
159.11665	14.2
161.09604	17.6
161.13266	7.6
163.11142	4.3
169.10094	2.2
171.08046	2.2
171.11696	8.8
173.09570	2.8
173.11929	2.0
173.13234	10.8
175.11116	3.7
175.14838	2.6
179.10652	9.2
181.10107	3.9
181.12192	1.9
183.11687	5.7
185.13228	7.1
187.11276	4.0
187.14806	5.0
189.09122	7.6
189.11089	8.3
189.12683	2.7
191.10641	2.9
195.11703	2.9
197.13300	4.3
199.14806	4.2
201.12773	2.5
207.10153	2.7
209.13269	4.0
211.14835	2.1
223.14847	2.6
225.11157	12.3
225.16347	2.1
227.12743	7.5
241.19385	2.8
243.21063	2.4
259.20599	5.4
261.22107	12.7
271.20660	2.2
271.40680	1.7
273.22229	2.0
277.21637	5.2
281.13934	8.5
287.23676	6.0
289.21646	3.3
291.19635	2.4
297.21997	4.2
297.76196	1.8
313.21582	3.0
315.23111	17.2
317.98175	1.8
333.24182	2.3
341.21167	2.2
387.24609	2.0
387.75778	1.8
392.44818	1.8
403.29834	3.3
421.30878	9.8
431.29492	2.0
439.31885	4.0
449.30579	14.2
457.33252	3.3
467.31473	23.6
485.32474	17.3
513.35712	18.0
515.37512	3.8
523.34082	6.3
527.37622	1.8
531.36890	20.7
541.35156	53.3
542.35693	1.8
559.36218	100.0
560.36224	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	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
52.06017	1.3
53.00306	1.7
53.03933	5.3
53.15408	1.4
55.01869	8.6
55.05506	40.7
56.05812	1.3
57.03431	4.8
57.07060	2.9
65.03936	5.4
67.05497	72.3
68.05859	1.8
69.03425	6.0
69.07062	32.8
69.33156	11.8
71.04980	5.4
71.08623	1.9
79.05485	57.5
81.03416	4.3
81.07050	71.5
83.04973	6.5
83.08604	16.0
85.06533	4.5
85.24379	1.3
91.05476	48.5
93.07034	60.4
94.07381	1.4
95.04959	13.8
95.08599	37.5
97.02883	7.4
97.06518	8.1
97.10157	18.7
98.20747	2.3
99.00822	4.6
99.08092	1.6
103.05424	1.4
105.07017	39.2
107.04935	8.9
107.08584	42.4
108.53038	1.3
109.02861	5.7
109.06537	4.4
109.10142	15.0
111.04493	1.8
111.08038	7.0
115.05444	2.2
116.06187	1.7
117.06998	19.5
119.08572	25.5
119.09348	2.4
121.06509	6.0
121.10133	22.3
123.08083	4.4
123.11697	6.5
125.09634	13.9
128.06239	2.6
129.06995	9.5
131.08557	25.8
133.06476	3.5
133.10118	30.6
133.11055	2.0
135.08047	5.3
135.11696	15.5
137.09610	2.5
137.97804	1.3
139.11195	1.7
141.06993	1.8
143.08495	8.0
145.06459	2.6
145.10101	15.0
147.08046	6.7
147.11697	6.6
149.09637	3.8
149.13264	11.8
151.11176	5.8
153.09155	2.5
153.12828	1.7
155.08580	5.0
157.10143	6.8
159.08028	1.9
159.11659	16.1
160.90785	1.3
161.09633	9.6
161.13278	6.2
163.11165	3.6
163.14874	1.3
165.09074	2.5
167.08688	1.7
169.10159	5.0
171.08052	2.1
171.10370	1.3
171.11641	6.4
173.13203	7.0
175.11224	3.2
175.14780	2.7
177.12746	1.5
177.16490	1.3
179.10587	3.4
181.12222	1.7
183.11702	4.7
185.13269	4.5
187.11224	2.1
187.14847	3.2
189.09132	5.4
189.11220	5.9
189.12682	1.5
195.11783	1.7
195.13817	3.1
195.68886	1.3
197.09686	1.4
197.11641	2.4
197.13329	3.0
199.14850	3.2
209.13330	2.1
211.14990	1.6
219.27400	1.3
222.93398	1.3
223.13167	6.7
225.11150	6.8
227.12814	6.0
245.19078	1.9
255.17490	1.7
259.20480	2.6
261.22177	5.4
271.20410	1.7
273.18423	13.8
275.20068	2.8
277.21689	4.3
281.13904	4.9
281.19043	1.8
287.23752	5.1
291.19504	49.8
295.20401	1.5
297.21997	2.7
299.20221	2.1
301.21573	1.6
315.23044	13.2
333.24234	1.4
347.22202	2.7
403.29782	1.8
421.31073	5.7
431.29269	2.3
439.31982	3.3
439.51563	1.7
449.30807	7.5
457.33212	5.1
464.82132	1.4
467.31601	13.0
485.32855	9.7
513.35828	9.6
513.84705	1.5
515.37604	1.9
523.33582	3.5
531.36841	10.4
541.35168	31.2
559.36249	100.0
560.36438	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	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.4
55.05511	32.0
57.03426	14.9
57.07035	4.5
65.03937	5.0
67.05494	85.1
69.07066	22.7
69.29580	10.2
69.29976	38.5
71.04994	7.1
79.05479	96.7
80.52364	4.1
81.03394	9.4
81.07046	70.7
83.04966	12.5
83.08596	9.0
84.70660	3.9
91.05470	72.6
93.07030	100.0
95.04955	26.9
95.08593	57.1
97.06529	7.1
97.10161	6.4
98.21449	6.4
105.04472	5.0
105.07008	49.5
107.04955	6.4
107.08588	35.6
109.06536	5.4
109.10138	18.1
117.07005	18.1
119.08572	27.7
121.10121	22.2
123.11713	5.2
128.06204	5.3
129.06973	15.6
131.08559	17.6
133.10091	23.0
135.11694	11.9
140.62048	4.4
143.08551	16.1
145.10118	16.5
147.11664	46.9
157.10211	4.8
159.11642	7.0
161.13251	13.5
169.10162	4.7
171.11679	29.2
173.13318	5.2
179.75410	4.4
189.12808	6.7
207.13811	29.6
261.22180	10.1
279.15717	5.8
281.17462	54.9
335.25742	48.3
423.27176	4.7
449.33243	4.9
467.35425	6.5
541.38751	68.5
559.39874	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	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.1
52.41074	3.3
53.03935	8.6
55.01857	6.9
55.05507	27.2
57.03435	16.3
57.07053	5.6
65.03913	3.7
67.05495	100.0
68.99920	3.1
69.07069	23.0
71.04974	8.2
71.45646	6.4
71.84382	3.3
75.01320	3.0
79.05486	89.7
81.03407	7.8
81.07052	83.8
83.04969	14.0
83.08595	10.4
85.06533	4.4
86.34120	3.8
91.05471	65.3
93.07028	90.4
95.04964	21.4
95.08601	52.6
97.06504	10.9
97.10169	5.9
105.07023	59.6
107.04939	10.2
107.08586	35.3
109.06492	7.9
109.10172	19.2
111.08070	4.5
117.07018	16.0
119.08582	29.6
121.06494	3.8
121.10136	15.2
123.08076	7.7
129.06987	15.6
131.08563	20.4
133.10066	18.7
135.11678	13.5
143.08553	16.0
145.10078	22.7
147.11671	37.9
149.13226	5.1
159.11720	8.3
161.09618	7.2
161.13248	13.3
169.10147	6.8
171.11693	26.9
173.13255	11.0
175.11281	3.6
181.10059	4.6
185.13251	6.4
187.11407	3.5
187.14871	4.7
189.12772	9.1
199.14799	3.8
207.13766	23.0
243.21024	6.7
261.22049	8.0
265.56522	3.7
279.15973	4.0
281.17441	48.5
335.25723	43.7
354.98248	4.0
431.33133	4.2
449.34134	4.4
467.35294	7.0
485.36313	4.7
497.35217	4.0
517.25348	4.0
541.38947	67.6
559.40063	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	559.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17695	2.9
53.03927	8.9
55.01853	3.7
55.05502	35.6
57.03426	9.4
65.03920	5.9
67.05499	100.0
69.07069	23.6
69.07384	5.1
71.04969	4.3
71.45284	4.0
79.05484	83.6
81.03382	9.4
81.07046	87.7
83.04958	13.9
83.08598	13.5
91.05467	68.5
93.07030	98.9
93.62719	2.8
95.04948	23.0
95.08591	55.4
97.06523	4.0
97.10158	5.6
105.07016	52.6
105.24859	2.9
107.04922	7.4
107.08588	45.5
109.06485	9.6
109.10133	20.1
111.08059	4.3
115.05368	3.0
116.01456	2.8
117.07053	16.4
119.08558	44.3
121.06521	3.8
121.10148	23.2
123.08039	5.2
123.11659	6.3
125.07302	3.1
127.07529	3.3
127.71861	3.3
128.06259	4.1
129.07011	16.7
131.08527	21.8
133.10124	27.0
135.11694	19.7
143.08508	11.7
145.10083	18.0
147.11661	38.2
149.13185	8.0
157.10092	6.0
159.11710	5.2
161.09506	4.2
161.13258	16.1
163.14861	4.8
167.07024	3.1
169.10068	4.2
171.11681	23.2
173.13248	6.6
183.11676	3.2
183.24095	3.1
187.14842	4.2
189.12718	7.7
197.13235	4.7
207.13835	18.3
231.79951	3.5
261.22147	14.0
279.15912	7.8
281.17426	37.0
289.14026	3.6
321.37033	3.4
335.25732	57.3
349.57175	4.0
437.04440	3.5
449.33823	5.7
467.35330	7.1
485.36087	5.5
513.35675	5.8
541.38788	92.8
559.40570	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41426	1.1
55.01852	1.8
55.05503	1.8
57.03423	1.0
62.88330	1.0
65.38182	1.0
67.05495	10.3
69.03410	3.0
69.07030	1.4
70.87808	2.8
70.88170	1.4
79.05484	2.3
81.07038	10.9
85.02885	5.0
91.05469	1.5
93.07034	2.1
95.04926	2.6
95.08593	6.6
97.02853	1.9
99.04436	2.0
99.08083	1.8
109.10138	60.8
111.04408	4.5
119.08574	2.8
121.06451	1.2
121.10114	3.4
121.96165	1.1
123.04453	1.3
124.87536	1.1
125.05962	4.6
127.03892	1.6
137.09595	52.8
147.08014	7.2
155.10645	29.2
159.88933	1.0
163.03839	1.9
165.09088	58.4
183.10143	37.7
183.11783	2.4
201.11189	100.0
216.79535	1.0
219.10175	2.1
219.12233	36.3
290.41495	1.1
300.07861	1.0
345.15619	2.0
356.34363	1.1
363.16486	6.3
544.19342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68187	0.9
55.01853	1.1
55.05506	2.3
67.05170	0.8
67.05500	9.4
69.03429	1.3
69.07055	1.0
69.24685	0.8
70.77888	2.3
79.05475	1.5
81.07045	11.5
85.02897	3.5
93.07029	2.0
95.04930	2.1
95.08578	6.0
97.02876	1.5
97.06523	0.8
99.08054	1.5
109.02849	1.4
109.10139	52.4
111.04424	3.8
119.08567	2.9
121.10113	3.5
123.04390	2.2
125.05972	4.7
136.07542	0.9
137.09593	46.5
138.60892	0.9
141.72537	0.8
143.06960	0.9
145.04924	1.1
147.04436	1.1
147.08034	5.5
155.10649	27.2
163.03912	2.5
165.09088	48.9
183.08871	0.8
183.10139	30.9
201.11192	100.0
202.11586	1.6
219.12238	47.5
304.11365	0.9
581.76373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.6
67.05506	2.5
69.03407	2.8
69.07006	1.6
70.06577	4.3
81.07036	3.7
81.22980	1.3
82.02659	1.4
85.02881	2.7
91.05460	1.8
93.07027	3.1
95.04947	1.5
121.10105	2.0
127.08620	1.5
133.10146	1.8
137.05983	1.8
215.87109	1.5
237.02722	1.8
312.07635	1.5
328.06253	1.8
369.10031	1.8
372.08905	2.5
387.10715	2.9
390.10013	4.0
417.11975	2.2
531.15283	7.3
561.17206	100.0
562.17621	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	561.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01865	14.0
55.05485	4.2
57.03423	4.8
61.02916	5.4
61.33706	3.6
65.03919	5.0
67.05479	8.0
68.99794	6.9
69.03418	26.2
71.04991	5.9
71.54932	5.6
79.05464	7.3
80.89434	4.1
81.03394	21.1
81.07038	10.0
83.04971	9.6
85.02902	54.5
87.00816	22.0
91.05478	16.0
93.07051	8.0
95.04962	8.4
97.02888	16.7
97.06503	4.1
99.04489	5.6
103.05450	7.5
105.01863	5.5
105.07025	6.7
107.04958	9.3
107.08545	7.6
109.02845	10.9
109.10157	5.5
111.04420	7.5
115.03934	21.4
115.05406	6.6
117.06956	4.7
119.04922	6.4
121.06470	6.0
121.10114	4.7
122.03644	8.6
127.03891	18.1
129.06969	6.8
131.04932	7.1
133.10126	5.7
137.05974	89.4
139.03847	3.7
149.06013	4.6
151.03900	66.2
151.05029	6.7
151.07530	23.8
155.08499	4.6
157.06477	4.3
159.08075	6.2
160.07619	5.3
161.06012	23.9
161.07202	3.3
163.07523	12.9
169.06490	5.2
175.07494	34.3
177.05347	5.2
177.09131	6.4
181.06459	5.8
187.07550	14.5
189.09117	7.1
190.07784	3.6
191.07018	4.6
195.10185	12.2
199.07526	6.3
201.09024	3.6
203.07010	7.9
207.08063	4.5
209.08051	100.0
209.09868	8.3
211.07538	7.3
213.09203	3.8
215.06972	5.2
217.08633	4.8
219.04880	4.5
219.08194	7.0
219.10106	4.2
221.09474	6.6
222.06767	4.0
225.09024	4.8
229.08452	4.9
231.04587	3.8
231.08034	5.2
235.07466	5.0
237.10345	4.1
238.10509	10.8
245.09686	5.8
247.07391	5.1
248.08374	6.3
249.08961	9.1
250.06247	7.6
252.12531	15.4
253.08545	5.4
253.12923	22.9
257.08383	4.4
261.08862	9.1
261.11325	8.8
264.07819	7.6
265.08636	21.0
267.10159	5.6
274.09741	4.6
276.07870	5.0
277.08426	7.9
278.09357	6.8
279.10117	8.2
286.10663	12.5
291.10193	18.3
293.08087	5.3
293.11612	5.4
294.08777	4.1
295.09634	5.0
297.11176	9.2
301.08578	4.9
303.09900	6.5
305.11523	5.1
306.08920	4.8
307.09619	10.7
308.10352	8.5
309.11160	50.3
311.12851	16.5
317.11600	7.0
321.11203	13.9
323.12726	13.2
325.14288	5.2
333.10846	6.2
334.12036	4.8
335.12747	15.2
337.10648	4.3
337.14224	4.9
339.12384	7.7
341.13852	38.7
343.15384	10.5
347.12863	7.1
349.14075	5.5
351.12329	4.3
353.14142	19.0
354.95709	4.9
355.15372	12.3
359.12708	4.9
361.14249	5.5
363.11911	4.3
365.13730	9.0
367.15430	18.5
379.15186	8.2
385.15622	4.2
389.13290	7.3
397.16077	8.3
403.15338	14.8
421.16388	39.3
439.17377	10.7
457.18576	8.7
491.16800	3.9
525.17596	10.6
543.18793	5.9
561.18689	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	561.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
68.19693	1.3
69.03419	1.1
69.99738	2.6
70.00150	2.9
70.06612	1.0
79.05486	2.6
81.07058	2.5
85.02915	1.0
91.05469	5.3
95.08607	1.3
103.05419	1.6
105.07014	3.0
107.04974	2.6
111.46968	1.1
115.05437	3.2
117.05728	1.9
117.06998	2.0
118.06522	14.9
119.04945	4.2
119.08563	1.4
121.06506	2.6
122.03593	1.4
127.03849	1.7
130.06512	18.7
132.08076	19.3
133.06506	1.3
137.04904	0.8
137.05957	21.4
137.08267	1.0
142.06503	3.7
143.07301	1.8
144.08081	11.1
145.02808	4.3
146.06000	48.5
147.04388	4.4
149.05949	3.3
151.07564	2.6
159.09163	54.1
160.07596	3.8
161.05969	34.1
162.06708	1.6
163.07527	2.6
165.07018	2.1
166.07745	1.2
169.07634	1.3
169.37311	1.0
170.06079	6.3
175.07545	3.1
177.05458	12.1
179.07014	4.3
179.08476	1.4
185.07123	3.5
187.08685	2.5
188.07047	100.0
191.07005	3.8
193.06448	2.5
194.07303	3.2
203.07008	82.1
205.06593	2.5
205.09740	41.7
210.06697	1.2
217.08504	2.9
221.05951	4.4
221.07959	1.4
222.06772	3.8
225.09096	3.0
231.07660	1.9
233.05951	1.7
233.08044	7.5
235.07620	1.5
237.09155	3.6
238.06184	1.5
239.07175	1.6
246.09207	1.1
250.06247	1.5
253.08592	4.8
264.07730	1.5
265.08588	12.2
267.10205	4.4
270.09079	1.2
271.09634	1.7
275.07037	1.6
276.10281	1.3
278.11710	3.0
285.11093	9.5
290.11810	1.7
292.07346	3.4
294.13605	1.1
295.09726	1.6
297.11212	13.3
307.09561	8.3
309.11154	1.2
315.12241	4.4
321.11212	1.4
327.08752	2.0
327.12219	16.7
339.12250	10.9
353.14844	2.1
357.13324	7.8
361.15375	3.2
375.70731	1.1
399.10519	1.3
399.27075	2.3
407.15967	5.5
485.20581	5.2
513.20178	1.5
515.21948	16.7
531.21222	4.8
543.20721	1.7
561.21844	1.5
561.31641	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	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.1
51.48540	1.8
51.60194	1.7
53.03930	6.8
54.16076	2.0
55.01860	8.9
55.05506	50.6
57.03427	8.5
59.04985	2.4
65.03925	4.9
67.05496	83.4
69.03409	4.3
69.07056	25.8
71.04979	10.2
72.82502	1.7
73.06539	2.0
73.61211	1.9
79.05479	54.0
79.05940	2.8
81.03401	12.1
81.07042	79.0
83.04964	16.9
83.08609	27.7
85.02856	3.3
85.06524	5.5
91.05468	38.8
93.07032	55.2
95.04961	11.4
95.08587	54.5
97.06496	10.1
97.10152	34.9
105.04511	2.5
105.07011	43.3
107.04944	7.5
107.08582	44.3
109.06509	5.6
109.10132	30.4
111.04425	10.1
111.08079	9.3
115.05421	3.2
117.06997	20.5
119.08566	36.1
121.06512	6.0
121.10118	21.7
123.08051	5.8
123.11680	8.3
125.09604	29.7
128.06209	3.4
129.07042	10.7
130.07857	2.6
131.08545	33.4
133.06505	3.8
133.10112	25.1
135.08003	5.7
135.11682	22.8
135.56015	1.9
137.09583	2.9
137.13219	2.8
139.11092	2.6
142.07814	2.0
143.08533	13.1
145.10103	39.3
147.08014	5.4
147.11694	21.5
149.09601	6.2
149.13235	7.8
152.12314	2.2
153.09081	2.3
153.12703	10.5
155.08517	6.9
157.10101	13.3
158.07126	2.1
159.08032	3.0
159.11642	18.2
161.09721	4.3
161.13252	10.9
163.11169	16.4
167.08510	2.9
169.10089	8.5
171.10286	2.9
171.11586	11.1
173.09547	3.4
173.13249	14.9
175.11261	4.2
175.14809	3.9
177.12709	3.5
179.14294	2.2
181.10178	3.6
181.12239	9.6
183.11652	6.2
185.13309	6.3
187.11130	3.1
187.14795	7.2
189.11182	16.9
189.12717	3.3
191.10643	5.4
192.09401	1.8
193.12222	5.8
195.11664	3.7
197.13252	4.6
199.14825	5.9
199.71648	2.0
201.16310	3.7
209.11671	7.2
211.13120	3.1
211.14888	3.4
215.18024	2.3
227.12717	39.9
227.14786	2.4
241.19392	2.9
243.21014	3.0
245.13730	3.2
259.20560	7.4
261.18680	2.2
261.22067	13.6
267.15823	3.0
277.21515	5.1
279.23282	2.8
283.15326	18.1
283.20313	2.5
285.16791	2.5
291.23303	2.3
292.11047	2.3
297.22308	3.3
299.23557	18.5
301.21625	5.4
315.23041	4.0
317.24606	11.2
333.24185	4.8
335.25922	12.7
375.25638	3.0
415.29184	2.6
423.32480	2.9
433.30853	9.0
445.09836	2.3
451.31992	18.0
469.33182	17.6
487.34286	10.1
515.37012	5.6
525.35608	24.4
543.36725	100.0
561.37738	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01863	5.9
55.05500	19.2
57.03428	12.1
57.07055	2.2
61.74539	2.0
62.64635	2.0
65.03916	2.1
67.05495	64.3
69.03418	4.0
69.07063	19.1
70.01421	12.0
71.04984	9.1
73.02899	2.2
78.89846	1.8
79.05481	51.8
81.03385	2.6
81.07043	69.0
83.04984	5.3
83.08620	11.2
91.05470	30.5
93.07026	65.9
93.07613	3.5
93.14530	1.8
95.04952	7.9
95.08594	75.9
97.02874	1.9
97.06519	3.8
97.10178	3.5
99.04425	4.8
104.11582	2.2
105.07007	25.4
107.04956	8.2
107.08571	45.5
109.06504	4.4
109.10143	19.3
111.04395	2.5
111.08088	2.6
117.06996	11.1
117.33230	2.5
119.08554	18.1
121.06513	5.6
121.10133	31.0
123.08106	2.6
123.11683	10.7
125.06000	2.9
131.08556	12.2
133.10101	13.5
135.08057	3.1
135.11665	49.9
137.13145	2.1
139.07556	2.3
143.76492	1.8
145.10098	33.8
147.11647	6.8
149.13228	8.0
151.11122	2.6
159.11697	7.0
161.13208	4.2
163.11159	50.4
163.14842	6.1
173.13264	5.7
175.14861	2.8
181.12222	7.9
187.14832	3.0
227.12750	100.0
243.21111	9.2
261.22098	29.5
283.15366	39.5
296.01453	2.2
317.24783	11.2
335.25745	68.2
469.33554	2.8
529.38489	4.0
543.36768	39.6
561.40149	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	561.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37251	1.5
54.37546	1.5
55.01865	3.8
55.05296	1.5
55.05506	14.6
57.03433	8.0
57.07074	1.4
65.03939	2.6
66.55955	1.5
67.05496	45.9
69.07059	10.9
69.45484	13.1
71.04977	3.6
79.05480	42.2
81.03403	2.7
81.07044	50.6
83.04965	5.7
83.08589	10.7
91.05466	19.0
93.07028	53.9
95.04932	6.9
95.08593	60.1
97.02885	3.5
97.06517	6.1
97.10171	2.9
99.04453	3.2
102.16763	1.3
105.07007	14.5
107.04948	6.2
107.08578	39.6
109.06486	3.3
109.10148	14.8
117.07017	11.1
117.64401	1.4
119.08588	14.2
121.06480	4.8
121.10133	20.6
123.08116	1.6
123.11718	4.1
125.06002	2.0
125.09659	1.4
129.06960	1.8
131.08545	9.3
133.10094	9.2
135.08066	2.4
135.11667	48.3
139.21843	1.5
139.26236	1.3
145.10092	27.7
147.11708	3.4
149.13242	5.7
159.11699	4.5
161.13214	3.4
163.11156	45.4
163.14807	4.2
173.13295	3.1
177.16071	1.4
181.12178	11.8
187.14784	3.5
209.11620	2.3
227.12740	100.0
243.21106	4.1
261.22098	23.0
279.23126	2.1
283.15356	43.4
317.24689	9.3
335.25754	48.6
381.07123	1.7
543.36749	31.3
561.38293	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	1.2
53.03934	5.5
53.55349	1.1
55.01857	1.6
55.05502	25.0
55.50844	1.3
57.03419	4.1
57.07064	2.9
59.04988	1.9
63.14560	1.1
65.03931	4.4
67.05492	82.5
69.03413	2.6
69.07056	22.1
69.44804	2.3
69.45199	9.3
71.04980	53.4
77.03910	1.6
79.05480	67.7
81.03401	1.7
81.07041	100.0
83.04974	11.3
83.08610	10.8
85.06524	8.0
91.05463	63.6
93.00997	1.2
93.07027	67.0
95.04959	9.5
95.07967	2.1
95.08589	36.8
97.06512	9.5
97.10153	3.5
99.08096	2.6
100.33838	1.2
101.31310	1.2
103.05403	1.2
105.04543	1.9
105.07009	36.3
107.08578	33.8
109.06530	3.3
109.10141	14.8
111.08087	4.1
117.07013	10.3
119.08547	14.9
121.10119	23.5
123.08046	2.1
123.11675	17.0
129.06999	2.9
131.08542	15.1
131.27750	1.2
133.10103	30.8
135.11646	14.1
137.13219	1.4
142.07681	1.1
143.08551	2.1
145.10092	9.4
147.11688	6.5
149.13246	12.3
151.11136	13.4
157.10155	3.1
159.11658	12.2
161.13196	5.6
163.14841	1.5
167.14380	1.2
171.11710	3.0
173.13298	5.1
175.14825	2.0
177.12810	4.0
179.14236	1.9
183.13774	17.0
185.13379	1.3
187.13315	2.1
187.14850	3.2
195.13861	4.5
201.14729	1.9
201.16454	1.3
248.97681	1.3
261.22198	4.5
269.17480	2.0
283.19022	2.1
285.16953	3.5
285.22067	1.3
317.24582	2.0
361.27338	2.2
363.25372	2.8
437.33694	2.1
474.07513	1.2
511.38248	1.9
517.38776	23.9
529.38831	19.7
530.39215	1.4
560.46631	1.5
561.41486	65.2
562.41528	3.1
587.09039	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	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05961	1.2
51.02378	1.7
53.03929	6.2
55.01863	4.3
55.05504	25.1
56.36182	1.0
57.03424	4.3
57.07067	2.8
65.03931	3.7
67.05497	76.5
69.03422	3.9
69.07059	21.6
69.51265	1.3
71.04985	48.3
71.42651	1.0
71.54099	2.1
77.03958	1.1
79.05484	60.9
81.03416	3.8
81.07047	100.0
82.07404	1.5
83.04963	10.9
83.08604	13.4
85.06541	7.1
91.05472	62.1
92.05768	1.7
93.07033	61.9
95.04951	9.1
95.08592	45.8
97.06516	11.1
97.10155	5.4
99.08057	2.6
103.05382	1.5
105.04528	1.7
105.07017	37.8
107.04924	1.7
107.07856	1.9
107.08582	38.6
108.23437	1.3
109.06498	6.3
109.10144	21.4
111.04430	1.9
111.08085	5.4
117.06993	12.6
119.08567	20.4
121.06507	2.7
121.10136	24.8
123.08058	3.4
123.11687	15.8
125.09595	1.7
127.07440	1.2
129.06993	5.8
131.08543	18.9
133.06528	1.6
133.10112	34.1
135.08006	2.1
135.11667	18.0
137.09727	1.4
137.13231	1.8
141.06895	1.8
142.91907	1.1
143.08528	5.5
145.10110	11.9
147.08093	1.8
147.11678	10.0
149.09615	3.1
149.13245	14.2
151.11137	11.4
153.12708	1.1
155.08557	2.1
157.10075	5.3
159.11674	13.8
161.09625	1.2
161.13220	7.2
163.11131	4.3
163.14778	2.5
167.14316	1.6
169.10115	2.6
171.11699	3.6
173.13257	7.1
175.14769	3.6
177.12758	4.1
179.14375	1.6
181.12303	1.5
183.13806	13.1
185.13246	2.7
187.13269	3.6
187.14796	3.6
189.11241	1.2
191.10666	1.5
193.12317	1.7
195.11797	2.1
195.13802	5.2
199.14763	1.2
201.14746	1.7
201.16388	1.6
209.13353	1.4
227.12688	5.8
227.16359	2.5
243.21138	1.2
253.14279	2.6
253.17845	1.9
259.20660	2.5
261.22156	5.6
269.17368	1.8
271.20569	1.5
275.20135	1.5
283.15424	3.1
283.18976	2.3
285.16846	2.4
291.19681	1.7
303.52988	1.3
317.24603	2.5
327.23419	1.4
335.25723	4.3
361.27109	1.7
363.25421	3.6
411.24927	1.3
437.34012	3.4
455.35303	1.7
469.32803	2.1
517.39044	19.1
525.35083	1.7
529.38861	30.6
543.36432	10.8
561.41614	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
53.19093	0.9
55.01873	2.9
55.05503	22.5
57.03437	5.1
57.07069	3.8
58.23949	1.0
59.05000	1.9
65.03935	4.2
67.05498	92.3
69.03429	4.0
69.07063	20.0
71.04985	46.4
79.05485	66.9
81.03425	2.6
81.07049	100.0
83.04971	10.7
83.08607	13.3
85.06520	7.5
91.05473	67.3
93.07035	66.1
95.04978	9.5
95.08598	40.7
97.06514	9.1
97.10188	4.7
99.08102	2.6
105.04531	1.8
105.07019	36.1
107.08580	35.8
109.06505	5.4
109.10147	18.8
109.10902	1.6
111.08095	5.6
115.05478	1.7
117.07006	10.4
119.08567	18.5
119.09314	1.4
121.06523	1.4
121.10139	22.7
123.08098	2.9
123.11690	18.6
125.09635	2.7
129.07034	3.2
131.08557	20.1
133.10104	31.0
133.11031	2.1
135.08154	1.8
135.11678	18.8
143.08591	2.9
144.09071	1.1
145.10118	8.7
147.11688	7.0
149.09650	1.6
149.13237	14.6
151.11176	13.5
153.12790	1.3
157.10094	1.9
159.11658	13.6
161.13309	5.3
163.11078	1.3
163.14828	1.6
167.14404	1.2
169.12189	1.3
171.11714	2.3
173.13313	4.3
175.14966	1.4
177.12836	4.1
179.14398	1.7
183.11978	1.4
183.13765	18.0
187.13347	3.6
187.14864	2.7
195.13779	6.1
215.14508	1.1
227.12744	2.3
227.16457	2.5
254.54111	1.2
259.20685	1.8
261.22278	4.2
267.15970	1.8
269.17450	2.5
277.21561	2.0
283.19147	4.4
285.16855	5.9
293.21225	3.0
335.25772	3.1
361.27524	2.9
363.25412	2.3
380.04572	1.2
433.30981	1.4
451.32294	1.5
517.38849	26.5
525.35889	1.9
529.38794	11.6
543.37000	6.0
561.41522	75.9
562.41846	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	562.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
55.05508	19.6
57.03434	15.5
67.05495	24.2
69.03423	5.5
69.07060	4.2
70.31950	5.3
71.04978	4.9
73.77183	2.4
79.05482	22.9
81.03410	100.0
81.07050	23.5
83.04975	12.8
83.08614	20.8
85.02893	12.7
91.05473	30.2
93.07040	18.8
95.04964	28.0
95.08606	13.4
97.02899	4.9
97.10127	6.7
100.88065	2.8
105.07018	23.6
107.04919	7.3
107.08589	9.8
111.08065	7.5
117.07036	3.3
119.08548	17.0
121.06477	5.1
121.10115	5.8
125.09612	4.7
126.93147	2.4
128.06192	2.4
129.06975	9.2
131.08580	13.0
133.10091	8.0
145.06461	3.2
147.08060	8.1
147.11667	11.6
149.09561	8.1
155.08522	3.1
157.10114	11.9
171.11710	2.5
175.11140	13.4
193.12233	33.9
211.13237	22.8
224.88748	2.6
267.15884	98.6
273.14816	3.2
285.17023	18.5
310.12973	2.7
349.21619	4.8
367.22714	6.0
385.23691	15.5
403.24658	3.1
433.20523	2.5
433.26086	7.1
441.26205	5.6
459.27374	51.6
477.28351	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2091
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
52.19055	0.3
55.91277	0.3
56.70504	0.5
57.46376	0.4
69.60227	0.4
70.89287	0.6
70.89608	0.7
71.38583	0.4
73.53448	0.4
83.01067	0.4
85.00129	0.4
91.05476	0.5
92.39907	0.4
95.01082	1.0
96.01856	0.7
107.04900	0.9
113.02119	1.7
119.04918	0.5
137.05971	2.1
147.04382	0.6
159.04163	0.7
163.07542	1.3
185.04187	2.4
201.03615	0.6
202.06088	1.0
203.05228	7.7
204.07523	3.1
272.19232	0.4
304.29559	0.5
318.71988	0.4
337.12411	0.4
353.13687	1.0
365.12170	0.4
366.12613	0.5
383.14743	0.8
563.20923	100.0
564.21368	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	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
53.35067	2.7
55.01856	6.4
55.05505	44.4
57.03427	14.9
65.03928	4.5
67.05495	100.0
67.45581	2.3
68.05849	3.1
69.03413	7.7
69.07053	33.7
69.33605	2.4
69.85318	6.6
69.85728	11.0
71.04967	12.7
73.02892	3.4
79.05484	69.4
80.05814	2.8
81.03414	18.2
81.06567	4.7
81.07047	93.2
81.27398	2.8
83.04963	9.3
83.08604	20.4
85.06519	4.3
91.05469	56.7
93.07032	75.7
95.04940	12.7
95.08035	4.5
95.08601	68.1
96.08938	3.6
97.06513	13.0
97.10151	17.3
99.08057	3.6
105.07013	51.8
107.04972	2.4
107.08578	44.5
109.02858	2.6
109.06499	7.6
109.10139	35.4
111.04411	2.9
111.08074	7.4
111.11703	3.9
115.05465	4.1
117.07002	17.5
119.08572	40.1
120.08926	2.4
121.06483	4.5
121.10131	37.0
123.08034	8.6
123.11658	11.0
125.09585	13.4
128.06160	2.8
129.06981	11.6
131.08548	39.8
133.10103	35.5
135.08052	6.7
135.11687	22.8
137.09639	5.5
137.13255	5.6
139.11185	6.4
141.06870	3.9
142.44327	2.5
143.08543	15.0
145.10109	27.5
147.07990	3.8
147.11668	25.5
149.09616	8.5
149.13225	11.2
151.11061	3.5
155.08540	7.0
157.10114	10.5
159.11646	18.7
161.09613	3.2
161.13220	12.3
163.11143	5.0
163.14774	5.3
165.12726	5.2
168.09367	2.9
169.10091	7.0
171.11720	10.3
173.13239	13.5
175.14757	6.6
177.12697	4.4
181.10124	3.7
183.11589	7.2
185.13281	9.2
187.14793	5.8
189.11205	7.9
193.12195	6.8
195.11754	4.0
195.13696	4.4
197.13264	4.3
199.14824	5.5
203.12773	4.3
211.14845	4.7
213.16492	5.0
227.12766	5.8
229.14304	5.5
239.16257	4.1
241.14339	4.6
241.19699	3.2
259.15366	4.3
259.20477	5.2
261.22128	6.1
263.23740	3.0
267.15851	11.3
271.20496	5.3
285.21954	3.9
287.18454	3.4
287.23676	6.6
289.21555	13.2
291.23050	4.9
299.23764	2.9
301.25122	7.7
303.23071	6.3
323.23465	3.2
335.25607	13.0
347.26221	2.8
351.25220	3.0
363.25284	4.3
417.26105	3.4
417.31305	3.8
435.32578	14.0
453.33459	15.9
471.34665	17.4
509.35785	6.2
527.37286	41.0
545.38251	64.5
563.29883	5.1
563.38898	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29704	2.8
53.03933	6.2
55.01866	9.9
55.05503	34.8
56.02530	2.7
57.03420	12.0
62.68931	2.8
65.03933	4.9
67.05495	100.0
69.03387	4.9
69.07062	27.4
71.04971	8.3
79.05486	63.2
81.03419	25.9
81.03854	3.8
81.07043	95.2
83.04964	13.3
83.08602	26.3
85.02900	9.0
85.06525	5.4
91.05469	49.4
92.06218	2.6
93.07034	57.5
95.04961	18.1
95.08595	63.4
97.06522	19.2
97.10153	17.5
99.08064	4.4
105.07023	45.4
107.08575	40.9
109.06495	6.6
109.10140	38.0
111.04444	7.9
111.08066	8.8
113.09663	3.9
117.07022	17.9
117.32669	2.6
119.08569	40.5
121.10133	22.4
123.08028	3.5
123.11697	14.3
125.09620	14.2
129.06985	11.2
131.08554	35.3
133.10118	25.6
135.11674	24.6
143.08566	10.7
145.10104	25.3
147.08052	4.6
147.11665	23.4
149.09637	4.7
149.13199	9.4
153.12657	3.5
155.08524	5.4
157.10107	20.8
159.11688	21.3
161.13234	10.7
163.11172	8.7
163.14862	4.1
169.10127	8.4
171.11685	12.2
173.13258	18.0
175.11166	11.0
176.50491	2.5
177.12845	3.3
181.12230	6.9
183.11639	6.1
185.13223	8.7
187.14796	6.2
189.11194	7.0
189.12756	4.2
191.10625	3.9
193.12202	19.9
195.11742	3.8
197.13251	4.9
199.14783	5.1
211.13252	26.2
211.14972	3.4
213.16512	3.2
223.14821	2.8
227.12747	9.5
229.14333	5.8
247.16960	2.9
261.22101	12.5
261.31757	3.1
263.20181	2.8
269.17245	3.1
277.21799	3.1
285.16885	13.4
285.22043	4.5
301.21725	3.8
301.25146	3.0
303.23135	10.8
317.24927	6.8
335.25815	12.9
359.26160	3.4
379.38089	3.0
432.35812	3.5
435.32327	8.5
453.33267	12.8
470.92465	2.9
471.34644	11.1
473.32367	5.6
487.34259	4.2
527.37244	32.5
545.38245	77.7
563.39606	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	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01867	9.0
55.05498	35.9
57.03424	8.8
57.07067	4.5
59.05000	5.1
60.01887	2.0
61.78371	2.0
64.69793	1.9
65.03935	5.6
67.05494	97.8
69.03410	2.6
69.07056	23.5
69.08170	2.1
70.82781	5.5
71.04979	8.3
79.05478	56.3
81.03416	23.1
81.06564	5.3
81.07043	100.0
81.83164	2.1
83.04958	16.9
83.08606	22.3
85.02897	7.8
85.06509	2.8
91.05466	52.6
93.07035	63.9
95.04958	20.9
95.08592	58.4
96.08875	2.4
97.06525	11.4
97.10152	22.4
99.04427	2.2
99.08078	5.9
102.74687	2.4
105.07013	48.6
107.04954	5.0
107.08582	41.8
109.06509	8.2
109.10139	40.8
111.04424	6.7
111.08072	8.6
117.07011	16.4
117.20492	2.3
119.05887	2.1
119.08555	40.2
121.06511	6.8
121.10122	29.9
123.08038	3.8
123.11663	18.0
123.12256	1.7
125.09605	19.5
128.06212	3.7
129.06956	12.3
131.08536	25.1
133.06488	3.5
133.10110	31.7
135.08055	5.0
135.11671	24.4
137.09604	5.9
141.07022	3.0
142.07747	2.8
142.17470	2.4
143.08545	8.2
145.10085	24.8
147.08043	2.3
147.11678	24.1
149.09605	4.0
149.13199	10.5
151.11147	5.2
153.12708	6.4
155.08545	6.0
157.10101	15.1
159.08069	2.6
159.11646	22.5
161.13252	12.7
163.11177	9.9
163.14777	4.1
165.12755	4.8
167.10684	2.2
169.10118	5.1
171.11702	9.4
173.13194	17.2
175.11174	6.1
175.14848	6.4
181.10115	2.9
181.12251	8.0
183.11664	7.3
185.13263	6.8
187.14751	5.5
189.11188	7.5
193.12181	19.9
195.11667	3.6
197.13272	5.0
199.14778	6.0
201.16342	4.7
207.11459	2.9
211.13217	25.8
211.14915	4.0
227.12602	14.6
229.14243	3.8
243.21164	3.5
245.19016	3.1
259.20779	2.9
261.22098	21.5
267.15921	6.5
279.23431	3.3
283.15390	2.2
285.16821	13.8
285.22040	6.2
299.23608	4.4
301.21768	2.6
301.25363	4.6
303.23175	10.1
315.57901	2.5
317.24692	6.4
329.24554	2.3
335.25754	22.4
359.26086	3.4
435.32437	12.5
448.83292	2.3
453.33627	13.5
471.34720	14.8
473.32385	4.7
487.34079	4.9
489.35565	4.9
509.36035	2.5
527.37329	32.6
545.38275	83.8
545.46606	4.4
546.38147	3.9
563.39368	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01862	8.1
55.05506	45.1
57.03425	8.8
57.07066	4.6
64.00233	2.1
64.06940	2.1
65.03925	4.3
67.05496	100.0
69.03404	4.4
69.07060	26.4
71.04987	9.7
71.36507	4.5
79.05485	51.9
81.03391	20.4
81.07048	96.1
83.04974	11.7
83.08608	28.4
85.02881	6.5
85.06542	6.0
91.05469	55.0
93.07035	68.3
95.04963	18.9
95.08593	64.8
97.06518	12.3
97.10143	20.4
99.08086	4.6
105.07014	49.5
107.04926	3.2
107.08585	44.3
109.06531	8.8
109.10137	31.8
111.04436	8.6
111.08087	9.2
113.09664	2.5
115.05389	3.7
117.07005	19.5
119.08572	47.5
121.06504	3.0
121.10130	33.4
123.08045	6.7
123.11692	12.1
125.09578	13.4
128.06256	2.8
129.06976	14.0
131.08554	32.8
133.06497	3.8
133.10126	27.6
135.07996	4.0
135.11664	21.3
137.09642	4.9
137.13268	5.7
139.11198	4.4
141.06978	6.2
142.07803	2.7
143.08560	12.9
145.10106	25.1
147.08075	3.5
147.11667	27.8
149.09627	7.1
149.13200	11.8
151.11189	3.6
153.12779	4.4
155.08597	5.9
157.10114	16.4
158.78105	2.3
159.08089	2.3
159.11676	22.2
161.13228	13.4
163.11206	7.7
163.14850	3.5
165.12801	3.2
169.10147	4.1
171.11650	12.0
173.13216	16.4
175.11211	7.0
175.14787	5.7
177.12825	3.3
181.12239	4.7
183.11702	4.9
185.13211	5.8
187.14885	5.9
189.11298	8.4
189.16335	3.7
191.10661	3.1
193.12221	17.6
195.11682	3.0
195.13779	3.1
199.14883	6.7
201.16429	5.0
209.13286	3.6
211.13237	24.0
223.14833	3.3
227.12718	13.1
229.14377	7.1
243.21152	3.8
261.18729	2.6
261.22000	11.3
267.15921	5.9
269.17456	3.4
277.21613	3.9
279.23111	4.8
283.14972	2.4
285.16940	8.7
285.22003	5.7
299.23807	3.5
301.21808	3.5
301.24881	5.9
303.23184	7.7
316.58163	2.5
317.24561	2.6
327.23117	3.6
335.26071	13.0
351.25787	2.4
359.25681	3.4
435.32645	14.1
447.14764	3.0
453.33395	16.0
458.16013	2.9
471.34500	15.9
473.32657	4.6
487.34088	5.2
489.34918	4.3
527.37231	33.8
545.38263	71.8
563.39087	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01862	8.1
55.05506	45.1
57.03425	8.8
57.07066	4.6
64.00233	2.1
64.06940	2.1
65.03925	4.3
67.05496	100.0
69.03404	4.4
69.07060	26.4
71.04987	9.7
71.36507	4.5
79.05485	51.9
81.03391	20.4
81.07048	96.1
83.04974	11.7
83.08608	28.4
85.02881	6.5
85.06542	6.0
91.05469	55.0
93.07035	68.3
95.04963	18.9
95.08593	64.8
97.06518	12.3
97.10143	20.4
99.08086	4.6
105.07014	49.5
107.04926	3.2
107.08585	44.3
109.06531	8.8
109.10137	31.8
111.04436	8.6
111.08087	9.2
113.09664	2.5
115.05389	3.7
117.07005	19.5
119.08572	47.5
121.06504	3.0
121.10130	33.4
123.08045	6.7
123.11692	12.1
125.09578	13.4
128.06256	2.8
129.06976	14.0
131.08554	32.8
133.06497	3.8
133.10126	27.6
135.07996	4.0
135.11664	21.3
137.09642	4.9
137.13268	5.7
139.11198	4.4
141.06978	6.2
142.07803	2.7
143.08560	12.9
145.10106	25.1
147.08075	3.5
147.11667	27.8
149.09627	7.1
149.13200	11.8
151.11189	3.6
153.12779	4.4
155.08597	5.9
157.10114	16.4
158.78105	2.3
159.08089	2.3
159.11676	22.2
161.13228	13.4
163.11206	7.7
163.14850	3.5
165.12801	3.2
169.10147	4.1
171.11650	12.0
173.13216	16.4
175.11211	7.0
175.14787	5.7
177.12825	3.3
181.12239	4.7
183.11702	4.9
185.13211	5.8
187.14885	5.9
189.11298	8.4
189.16335	3.7
191.10661	3.1
193.12221	17.6
195.11682	3.0
195.13779	3.1
199.14883	6.7
201.16429	5.0
209.13286	3.6
211.13237	24.0
223.14833	3.3
227.12718	13.1
229.14377	7.1
243.21152	3.8
261.18729	2.6
261.22000	11.3
267.15921	5.9
269.17456	3.4
277.21613	3.9
279.23111	4.8
283.14972	2.4
285.16940	8.7
285.22003	5.7
299.23807	3.5
301.21808	3.5
301.24881	5.9
303.23184	7.7
316.58163	2.5
317.24561	2.6
327.23117	3.6
335.26071	13.0
351.25787	2.4
359.25681	3.4
435.32645	14.1
447.14764	3.0
453.33395	16.0
458.16013	2.9
471.34500	15.9
473.32657	4.6
487.34088	5.2
489.34918	4.3
527.37231	33.8
545.38263	71.8
563.39087	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	565.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51407	1.1
69.03436	2.2
69.19775	1.0
70.06605	1.7
71.04961	1.4
71.29745	1.8
71.30089	1.6
76.05628	1.1
81.07072	1.3
85.02898	2.1
85.06555	1.4
91.03928	1.2
96.54219	1.1
97.02872	2.0
108.30461	1.1
137.05968	1.7
163.28700	1.4
170.09647	1.4
177.04285	1.4
181.15327	1.1
182.08401	1.6
197.10728	8.2
203.07060	1.4
209.10840	3.3
211.08675	3.4
212.09387	1.5
213.10158	2.7
221.10835	1.2
223.08588	2.0
224.09441	6.6
225.10207	21.4
226.11002	1.8
227.08171	1.8
228.08998	1.9
235.08647	2.1
237.10156	11.1
238.10965	6.2
239.08072	3.2
239.11790	3.6
240.08958	2.3
240.12595	1.3
241.09633	1.9
249.10364	3.0
251.08093	16.9
252.08987	2.7
253.09718	30.0
254.10426	1.9
255.11293	4.5
256.11719	1.9
265.09708	24.6
266.10510	27.6
267.07904	3.0
267.11267	16.5
268.11954	3.7
269.09363	1.4
270.09650	1.6
275.13739	1.4
277.09631	1.7
279.07657	3.7
281.09201	20.4
282.09897	2.8
283.10782	4.2
284.11380	3.1
293.09171	16.0
294.09964	28.8
295.10733	22.6
296.08508	1.9
296.11389	9.8
297.08881	1.9
311.10211	4.6
312.10919	6.4
321.08701	10.6
322.09406	4.9
329.11279	3.3
330.12039	5.9
339.09695	38.6
340.10468	12.5
341.11395	1.5
344.13425	3.0
357.10315	1.6
358.11450	1.8
390.13663	2.2
409.09967	1.4
441.12802	3.8
443.14423	1.5
447.13742	3.0
450.86038	1.3
459.13715	1.5
469.12393	22.3
471.13922	10.8
487.13425	30.4
497.11832	11.4
505.14368	3.2
515.12946	100.0
516.13300	5.0
519.15985	2.9
533.13806	6.4
547.15784	6.0
565.20941	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	565.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.3
70.06580	1.1
71.53490	0.7
71.54340	1.1
71.54729	1.2
82.70457	0.8
83.19858	0.8
85.02903	2.0
96.46603	0.9
111.74860	0.7
119.04932	0.9
144.08044	2.7
147.04391	3.4
161.10684	1.1
163.03914	3.3
177.09142	3.5
185.04237	4.0
191.92781	0.8
199.61221	1.0
203.05351	2.0
221.11911	1.2
224.34103	0.9
230.77266	0.9
240.09425	0.8
241.10451	100.0
242.10947	1.1
247.06303	0.9
280.69162	1.0
297.08832	1.0
332.37717	0.9
371.12222	1.0
403.15695	93.3
404.16205	2.3
515.12744	1.4
565.20990	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.3
57.07057	5.3
57.10700	1.8
65.03919	2.6
67.05489	14.9
69.03416	3.7
69.07053	5.6
69.26679	11.2
69.27117	8.0
77.09167	1.8
79.05490	10.6
81.07048	13.3
82.43010	2.1
90.67771	1.8
91.05466	12.8
93.07036	21.9
95.04970	3.7
95.08600	21.9
101.80066	1.9
105.07022	26.0
107.08575	14.5
109.06480	3.6
109.10156	12.3
117.07040	4.3
118.51306	2.1
119.08581	21.0
121.06496	2.5
121.10138	18.1
123.08066	8.7
123.11736	3.3
128.06209	2.5
129.06984	6.4
130.07816	1.9
131.08543	11.7
133.10107	12.5
135.08046	3.8
135.11697	6.8
137.09599	4.6
141.07005	2.9
142.07806	6.9
143.08514	11.0
145.10083	14.8
147.08006	12.3
147.11703	4.3
151.07536	10.6
155.08498	3.6
156.09335	6.5
157.10138	19.0
158.10901	2.7
159.11708	8.8
161.09671	4.0
161.13338	4.7
163.11198	3.3
165.09093	26.1
167.08511	3.6
168.09378	2.7
169.10135	6.1
170.10883	2.5
171.11691	12.7
173.13229	7.0
175.14868	3.4
179.08582	3.4
180.09213	2.4
181.10126	7.1
183.11682	8.5
185.13242	16.8
187.14844	2.8
189.12697	2.3
192.09460	2.1
193.10062	4.3
194.10962	3.9
195.11678	8.8
196.12419	3.3
197.13232	7.3
199.14784	2.9
199.70793	1.9
203.14311	13.0
207.11717	6.1
207.13853	3.5
208.12502	3.7
209.13217	7.5
211.14717	3.4
213.16298	4.3
218.10815	2.3
219.11748	2.1
221.13223	4.6
221.15324	44.4
222.13895	3.0
223.14813	3.0
225.16373	3.2
231.11671	4.1
235.14825	3.7
237.16525	3.0
245.13283	2.4
251.18040	3.7
263.17929	2.6
265.19614	5.5
269.17374	2.8
277.19565	3.9
279.21030	3.9
287.20178	2.6
291.21182	2.3
345.98825	2.2
357.25839	7.0
385.28986	8.6
473.33868	4.2
485.34308	4.1
530.38885	2.3
547.39575	6.9
549.68469	2.4
565.40363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.2
55.05505	17.5
57.03434	8.9
57.07074	28.0
58.72493	3.3
58.80745	3.2
67.05501	46.6
68.05861	3.6
69.07063	14.5
69.20496	33.3
69.20916	8.3
71.08624	23.0
79.05484	30.7
81.03412	26.4
81.07043	39.8
83.08615	12.2
85.10167	11.9
91.05453	16.6
93.07037	18.3
93.07548	3.3
95.04961	69.7
95.08596	27.3
97.10173	7.1
105.07030	18.6
107.04962	13.5
107.08579	20.3
109.02870	9.9
109.06514	5.7
109.10142	13.0
111.04475	4.3
117.07043	6.0
119.08575	17.3
121.06467	6.8
121.10140	15.2
123.04422	68.2
123.11710	9.5
129.07008	8.4
131.08601	4.5
133.10158	9.6
135.08078	7.1
135.11703	8.6
137.05940	6.3
143.08553	11.0
145.10100	17.3
147.08054	5.1
147.11731	4.5
149.09584	6.8
157.10124	5.5
163.11179	17.1
171.11702	9.6
173.09618	9.4
189.12735	12.9
207.13768	16.8
217.12202	12.2
235.13249	100.0
238.91777	3.4
253.14262	4.6
302.68918	3.5
309.16995	57.6
313.27298	89.5
458.87479	4.0
464.62109	3.9
547.39795	48.7
565.40808	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25489	1.1
53.03947	1.7
55.01862	1.9
55.05501	1.5
57.03426	2.6
59.04301	1.0
61.02903	2.7
61.23853	1.0
67.05474	1.3
69.03422	11.9
70.06577	2.5
70.70392	2.0
70.70753	2.0
71.04979	9.3
73.02898	2.2
79.05473	5.6
81.03394	3.3
81.07047	7.9
85.02901	20.8
85.06509	1.5
86.09630	1.0
88.71764	0.9
91.03917	1.7
91.05462	10.9
93.07034	14.0
95.04951	2.6
95.08588	1.9
96.04458	1.1
97.02879	10.1
97.06512	1.2
98.11743	0.9
99.04446	36.7
101.26335	1.0
103.05474	0.9
104.84028	0.9
105.07021	58.1
107.04943	3.5
107.08593	10.9
108.05238	1.0
109.02862	2.5
109.06491	3.0
111.04440	1.1
111.08004	1.2
114.05521	1.4
115.05451	1.1
115.10730	1.0
117.06985	2.7
119.04935	2.1
119.08577	13.3
121.06506	6.3
123.08071	5.1
123.11729	1.1
127.03920	7.7
128.06190	3.0
129.07069	1.0
131.08519	2.3
133.06491	7.5
133.10115	60.1
134.10352	1.1
135.11656	2.6
136.07591	1.3
137.05957	6.7
143.08534	9.1
145.04932	7.3
145.06097	1.3
145.10074	6.5
146.07234	4.3
147.04370	1.2
147.08032	17.0
149.00365	0.9
151.07506	5.8
151.11159	1.7
159.07976	1.3
161.09599	100.0
163.05981	3.0
163.11166	59.1
165.09126	1.0
167.06995	1.0
171.08086	2.3
174.06741	2.2
179.10655	41.2
189.09087	34.1
207.10153	68.5
225.08984	1.7
225.11179	25.4
287.05472	3.1
288.05704	5.1
303.04950	9.7
323.14554	1.8
331.15482	2.3
333.13202	1.6
351.14337	20.7
369.15283	2.7
377.01602	1.0
407.54575	1.1
504.61084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27325	2.1
57.03394	2.7
67.05512	2.0
69.03422	12.0
69.73937	14.1
71.04974	8.1
73.02895	1.9
76.40802	2.1
78.26753	2.4
79.05476	6.4
81.07041	15.8
85.02892	15.9
91.05497	10.8
93.07050	18.1
95.04964	2.9
95.08579	2.6
97.02895	16.9
99.04447	31.3
105.07011	35.7
107.08572	11.6
109.06512	5.6
111.08064	9.7
119.08533	4.2
121.06511	3.3
123.08069	3.7
128.06139	2.9
131.08566	2.3
133.06490	4.0
133.10109	50.2
137.05954	7.9
143.08554	9.2
145.04941	4.5
145.10123	3.3
151.07527	4.6
151.11183	4.0
161.09589	69.2
163.05922	2.8
163.11172	14.5
179.10638	26.9
189.09016	22.4
192.16827	2.5
207.10100	20.3
222.09534	2.4
225.11180	100.0
226.11444	2.3
267.48520	2.3
292.69589	2.2
303.04950	6.6
351.14221	2.5
369.15186	2.9
435.09448	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	566.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
57.03426	2.1
69.03405	5.2
71.04955	4.1
71.57194	2.0
73.02892	4.4
79.05483	4.4
81.07053	1.9
85.02898	11.0
90.81991	1.4
91.05450	6.6
93.07043	15.8
97.02888	9.5
99.04442	6.6
105.07014	41.8
107.08575	11.4
114.09125	2.5
115.03908	1.5
119.04879	2.4
119.08570	3.0
121.06489	1.8
122.17781	1.4
123.08018	4.9
127.03904	3.2
133.06473	4.0
133.10098	38.1
135.11655	2.9
137.05948	4.8
145.04967	2.5
145.10097	7.6
151.07518	5.1
161.09590	30.3
163.11165	100.0
179.10651	59.6
179.11858	0.9
189.09071	20.3
189.78531	1.5
207.10127	24.2
225.11237	16.4
229.04886	1.8
291.41699	1.5
303.04965	22.1
324.52707	1.4
339.95786	1.4
351.14200	2.5
375.44992	1.6
566.42438	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	566.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43718	2.4
63.85090	2.7
64.43134	2.3
69.16406	2.4
71.53004	4.3
77.25385	2.8
81.07067	3.0
85.02889	7.1
91.05463	9.4
93.07053	3.1
95.04941	3.4
96.78571	2.9
99.04440	8.3
99.85743	2.6
105.07016	4.5
119.04905	4.2
121.06485	2.8
129.07007	5.3
137.05946	28.5
149.05956	5.3
151.07521	49.3
157.06442	3.9
161.05968	5.8
161.09589	8.0
163.07520	7.3
167.08594	5.4
175.07521	3.6
177.09077	5.3
189.09076	20.1
195.08043	6.8
198.39821	2.8
207.10179	9.6
221.05891	3.5
223.07536	5.0
225.11284	5.4
227.10616	13.7
249.09071	3.0
253.08612	5.3
253.12347	6.9
255.10222	13.0
281.11746	4.5
285.11206	8.3
287.09982	2.9
287.12851	26.2
313.14294	24.5
331.15353	100.0
332.15939	4.5
343.15237	3.5
370.27713	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	566.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97313	2.2
71.04974	2.0
71.06146	5.0
85.02853	5.1
91.05471	5.7
95.04935	2.0
97.02856	2.3
99.04453	10.9
103.05481	3.0
105.07024	5.7
113.46207	1.9
119.04926	6.1
119.08565	3.4
128.46289	2.1
129.06979	4.6
133.10089	2.3
137.05945	26.0
147.08058	3.2
149.05956	4.1
151.07515	33.0
157.06465	3.5
161.05919	3.8
161.09584	9.0
163.03743	2.4
163.07561	11.3
163.11172	2.3
174.06787	2.7
175.07590	2.6
177.09123	3.2
179.10634	3.2
189.09100	16.4
195.07954	5.3
207.10143	8.6
209.09497	2.3
210.06670	3.0
212.73296	2.2
221.09625	3.5
221.11644	2.4
223.07475	3.8
225.09219	2.2
225.11221	6.3
227.10625	9.8
253.08623	4.5
253.12267	5.0
255.10194	12.0
255.12422	1.9
267.10266	2.4
281.11673	2.9
285.11221	7.7
287.12738	23.2
313.14276	22.3
331.15350	100.0
343.15320	3.8
386.23163	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	567.1335
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01852	1.1
57.03432	6.7
59.06110	1.1
61.02906	2.0
69.03426	8.4
70.06580	0.7
70.63277	2.0
71.01328	1.3
73.02911	13.7
81.03401	0.9
81.07043	0.8
85.02908	3.8
85.07646	1.5
87.04468	0.7
91.05463	0.9
93.07043	0.5
94.60014	0.5
95.04973	0.8
97.02258	0.8
97.02888	15.6
98.56860	0.5
99.04438	1.4
106.07348	0.5
109.02855	1.1
111.00787	0.7
111.09628	0.5
115.03924	7.3
117.03554	0.5
121.02892	0.9
121.06440	0.6
121.97021	0.5
123.04468	0.7
127.03911	0.7
129.17058	0.5
133.04913	1.5
133.10132	0.8
137.02336	6.5
139.03914	0.6
153.01799	4.3
154.18359	0.5
161.09619	0.9
162.09914	0.6
163.03845	1.4
165.01843	2.0
173.05980	0.6
183.02939	1.4
183.04456	0.7
187.03944	0.7
195.02902	0.7
201.05463	1.4
207.10118	0.9
211.06042	2.5
217.54189	0.6
219.02954	0.6
225.11258	2.5
226.11604	1.0
229.04932	3.5
229.06940	1.2
247.05922	1.0
257.04477	3.2
274.04697	0.7
285.03842	1.4
299.05536	0.8
303.04980	100.0
304.05392	1.3
313.07040	0.6
315.04984	9.1
316.05783	0.9
327.04956	2.7
329.06561	2.2
339.94894	0.6
341.06610	2.2
345.05997	8.5
353.06662	2.4
357.05646	1.0
369.06030	6.9
381.05896	2.7
399.07108	8.2
417.08029	3.9
435.09232	11.1
535.59497	0.6
567.12964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1338
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
57.03431	8.1
58.14690	0.8
58.37171	0.8
61.02905	2.4
68.99799	1.3
69.03422	8.4
69.70167	2.5
69.70578	3.7
70.06577	1.9
71.01340	1.4
73.02903	12.4
76.06448	0.8
79.05479	1.7
81.03402	1.8
81.07053	1.5
81.95371	0.8
85.02895	8.5
91.05470	2.4
93.07027	3.8
95.04924	1.4
95.08533	1.2
97.02886	13.7
99.04432	2.2
105.07019	8.8
106.07339	2.6
107.08561	1.5
109.02901	0.9
114.09148	2.7
115.03924	8.3
119.04929	1.5
119.08575	1.2
121.02837	0.8
121.10120	0.9
123.08062	1.5
127.03902	1.6
133.04955	2.1
133.10110	6.4
134.10449	3.8
135.11700	1.3
137.02327	4.1
137.05943	1.5
139.03909	1.0
145.04973	1.2
145.10139	1.7
149.02341	1.2
151.11108	0.9
153.01802	3.5
161.09543	5.0
162.09938	2.6
163.11162	19.2
164.11519	9.7
165.01877	2.7
179.10666	11.1
180.11015	5.5
189.09102	2.4
190.09486	2.2
201.05460	1.0
207.10153	3.1
208.10519	3.1
209.16489	1.0
211.05914	0.9
225.11180	3.3
229.04993	4.4
229.07076	1.6
257.04373	2.2
273.78769	1.2
303.04947	100.0
315.04904	3.1
319.04486	3.6
327.04657	1.6
341.06308	1.4
345.05994	4.0
345.10175	1.3
353.06564	1.9
369.06030	3.8
381.05734	1.3
399.06970	3.7
405.12555	1.2
417.08084	1.8
435.09247	5.4
475.34671	1.0
558.99384	1.1
566.42603	3.2
567.43066	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	567.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77805	0.5
67.94337	0.5
69.03407	0.8
70.06580	0.8
70.30127	1.9
79.05477	0.8
85.02869	1.0
88.21664	0.6
91.05473	0.8
96.70127	0.5
97.21957	0.5
116.71915	0.5
117.07021	2.1
137.06006	0.7
138.58505	0.5
143.07262	1.2
144.08067	100.0
145.08476	0.7
147.04390	1.3
153.01849	1.0
161.10730	18.0
163.03909	2.5
232.71646	0.5
405.16635	0.9
567.21674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96523	0.2
60.65509	0.2
67.76031	0.2
69.36700	2.0
85.57079	0.3
89.03928	0.3
89.61015	0.2
91.05470	0.3
95.04989	0.3
96.86317	0.2
97.02924	0.2
115.05427	0.4
117.03393	0.2
117.07012	1.9
123.04325	0.2
132.08073	0.3
135.04391	0.3
143.07285	1.1
144.08063	100.0
145.02814	0.3
145.06516	0.5
145.08392	1.3
161.10722	19.9
162.10994	0.3
163.03867	2.6
164.04272	0.3
266.91202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75689	2.6
53.03938	5.4
55.05498	13.1
55.73341	2.8
57.07065	10.8
67.05505	21.3
69.03416	6.8
69.07056	12.8
71.57062	4.2
79.05497	22.9
81.07049	35.6
91.04924	5.5
91.05466	47.3
93.00137	3.5
93.07034	60.3
95.04967	8.2
95.08595	41.9
105.07024	75.0
107.08576	46.0
109.06516	4.9
109.10133	25.6
115.05389	4.0
117.07014	10.5
119.08563	75.2
121.06527	3.7
121.10125	36.9
123.08042	14.2
123.11707	11.6
128.06223	8.0
129.06996	11.2
130.07753	5.9
131.08563	24.2
133.10124	39.1
135.08026	8.7
135.11685	19.1
137.09598	15.5
141.06966	4.1
142.07774	10.7
143.08554	25.4
144.09299	5.8
145.10110	49.9
147.08012	23.4
147.11661	12.3
149.13303	3.2
150.77841	3.3
151.07523	13.2
155.08560	13.1
156.09348	7.6
157.10094	28.3
158.10896	4.0
159.08032	5.1
159.11671	21.1
160.84492	3.7
161.13245	7.6
163.11143	8.8
165.06976	6.3
165.09081	41.9
167.08485	7.6
168.09291	6.4
169.10147	20.4
170.10902	7.5
171.11644	21.4
173.13257	12.1
175.14775	10.0
181.10109	9.6
181.12216	7.9
183.11644	15.1
185.13168	7.8
187.14809	6.2
189.12726	4.5
191.14366	4.2
193.10181	4.5
194.10867	7.4
195.11732	9.7
196.12488	3.5
197.13213	9.1
199.14841	6.6
203.14256	17.5
207.11696	8.0
209.13260	10.1
209.15155	3.4
211.14847	9.1
221.13406	3.6
221.15340	85.1
223.14771	5.8
225.16429	6.4
233.13228	3.7
237.16379	10.3
249.16261	3.8
284.29398	6.7
298.19189	3.8
312.21127	3.6
359.27234	6.7
426.51443	3.6
475.35349	9.5
549.40228	5.1
567.41827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79704	2.3
53.03938	5.3
55.05502	15.9
57.07066	8.2
57.18550	2.7
67.05494	26.6
69.03413	2.8
69.07063	15.1
70.01885	9.7
70.76269	2.5
79.05477	33.1
79.36389	2.6
81.06579	2.9
81.07045	55.3
83.08611	9.0
85.06548	4.3
91.05476	52.1
93.07038	66.2
95.04952	12.7
95.08591	45.6
97.06498	6.3
98.21529	2.8
103.05435	4.9
105.07017	84.7
107.08583	70.3
109.06522	5.7
109.10149	40.7
115.05438	5.1
117.07011	18.9
119.08566	100.0
121.06522	5.0
121.10127	60.3
123.11694	20.7
128.06194	15.8
129.06973	14.3
130.07793	7.0
131.08546	41.0
133.10104	56.6
135.08057	6.1
135.11678	34.8
137.09595	5.1
141.06958	7.6
142.07730	17.7
143.08556	36.5
144.09326	6.7
145.06465	3.2
145.10101	65.2
147.07961	3.7
147.11679	23.2
149.09578	3.3
149.13266	4.7
154.07759	3.2
155.08516	20.7
156.09296	9.8
157.10100	43.9
157.11278	3.8
158.10855	4.5
159.11682	34.5
161.09700	3.3
161.13219	18.4
163.11118	3.0
165.06993	6.4
167.08517	7.6
168.09315	5.9
169.10132	22.6
170.10872	5.0
171.11665	26.1
173.09689	2.8
173.13246	28.9
175.11165	3.1
175.14780	23.4
179.08606	7.3
179.14192	3.9
180.09256	3.7
181.10075	14.2
182.10876	8.5
183.10168	3.7
183.11688	25.4
184.12308	3.7
185.13171	14.0
187.14822	16.7
189.16293	4.4
191.08514	3.1
191.14354	3.7
193.10126	12.1
194.10864	7.2
195.11670	22.9
196.12433	4.0
197.13257	21.0
199.14813	6.0
201.12802	2.8
201.16333	7.4
203.14330	4.8
203.83368	2.8
206.10875	6.5
207.11676	12.4
208.12378	3.8
209.13245	14.7
211.11264	3.2
211.14787	12.9
213.12569	3.1
213.16385	7.0
219.11586	4.2
220.12170	3.9
221.13225	9.6
223.14835	11.7
225.16435	6.4
231.11703	8.2
232.12660	3.5
233.13200	6.6
235.14757	9.8
237.16360	6.8
239.17870	5.1
241.19431	4.0
245.13232	6.5
247.14821	6.5
249.16370	8.5
251.17940	5.0
253.19386	3.4
254.23285	2.7
259.14774	6.4
261.16299	5.7
263.17889	4.8
265.19467	4.5
267.21176	4.1
273.16379	4.1
275.17825	6.2
277.19446	4.7
282.26492	2.9
283.20792	2.5
295.25732	2.7
297.47324	2.8
345.25760	3.1
494.79977	3.0
531.39038	3.9
537.40607	2.8
549.40833	16.6
567.41614	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05510	1.7
57.03428	1.9
61.02926	1.5
67.05495	4.3
69.03419	9.9
69.52338	4.9
69.52753	1.9
71.04979	3.3
79.05473	5.5
81.03408	3.2
81.07041	4.8
83.04952	1.6
85.02892	19.8
85.06518	0.9
91.05476	3.7
93.07027	17.8
95.04956	2.8
95.08626	1.5
97.02877	7.2
97.06501	3.4
99.04440	13.1
101.06024	0.9
105.07017	24.8
106.07381	1.0
107.08576	22.3
109.02870	2.7
109.06534	1.7
111.08067	1.7
117.06998	3.2
119.08559	9.8
121.06498	9.1
121.10123	30.6
123.08072	2.3
127.03898	6.2
130.07761	0.9
131.08514	1.9
133.10101	1.8
135.08002	5.0
135.11670	9.2
139.07536	0.9
145.04951	4.5
145.10097	20.9
145.11125	1.6
147.11697	2.2
149.05873	1.2
149.09639	4.1
161.09636	1.1
163.06067	2.9
163.11160	65.3
164.11488	1.4
173.09607	3.4
179.10641	1.0
180.08617	1.4
181.12202	24.0
191.10649	39.7
209.11700	37.2
227.12746	100.0
244.15508	1.0
303.05063	1.7
304.05322	2.2
319.04446	0.9
335.15173	1.2
337.21243	0.8
353.15958	16.0
371.17090	6.8
373.14172	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	568.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.1
51.02377	1.6
55.05501	13.4
55.37299	1.2
57.07059	7.6
59.04987	2.2
65.03916	3.3
67.05499	14.5
69.03423	2.1
69.07061	11.3
70.72571	3.1
70.72943	2.7
79.05483	21.0
80.06251	4.7
81.07044	37.3
83.04964	3.3
83.08604	4.4
85.06513	4.6
91.05466	42.5
92.06242	3.3
93.07027	52.7
94.07813	2.1
95.04955	43.4
95.08588	27.6
97.10107	1.6
103.05450	3.1
105.07012	78.7
106.07814	4.1
107.08575	46.2
107.09280	3.0
108.09388	2.0
109.06493	5.7
109.10127	17.2
111.08040	1.9
115.05421	3.9
116.06255	3.3
117.06989	25.8
118.07807	3.0
119.04891	1.5
119.08561	100.0
120.09432	7.7
121.10119	32.2
123.08057	15.2
123.11691	6.1
128.06194	11.1
129.06978	17.5
130.07773	11.2
131.08543	50.7
132.09340	10.3
133.10104	56.1
134.10812	4.7
135.08026	6.1
135.11656	16.4
137.09593	5.5
138.10341	7.1
139.11116	2.3
141.06987	6.4
142.07747	19.5
143.08536	40.7
144.09340	13.7
145.06476	1.9
145.10101	86.7
146.10854	5.4
147.08037	3.2
147.11662	28.4
149.09581	4.8
149.13283	3.8
151.11189	3.1
153.06897	3.0
154.07730	2.7
155.08528	16.1
156.09320	16.0
157.10106	49.3
158.10893	12.8
159.11668	43.4
160.12427	5.6
161.09598	5.1
161.13226	9.2
163.11125	4.5
165.06982	5.2
166.07808	3.1
166.91394	1.5
167.08554	9.1
168.09317	5.3
169.10101	24.3
170.10904	8.6
171.11661	34.6
172.12466	6.9
173.09537	1.8
173.13243	27.2
174.13908	2.3
175.11198	1.4
175.14796	19.2
177.12735	4.2
178.07776	1.8
179.08524	9.0
180.09291	3.1
181.10085	17.0
182.10851	5.7
183.11673	29.7
184.12514	6.3
185.09599	1.6
185.13228	27.8
186.13983	6.5
187.14792	14.5
189.12677	3.6
191.14240	11.9
192.09270	3.0
192.15059	1.8
193.10077	8.1
193.15941	2.3
194.10876	10.8
195.11661	20.4
196.12430	8.3
197.13240	29.0
198.13960	4.9
199.14755	10.5
201.12770	3.7
201.16357	6.4
203.14305	3.5
206.10741	3.2
207.11700	10.0
208.12436	5.4
209.13216	25.3
210.13991	3.9
211.14778	19.0
212.15527	2.0
213.12714	1.5
213.16394	6.1
215.14244	1.4
217.15804	6.5
219.11714	2.4
219.17360	1.8
220.12476	3.2
221.13197	8.5
222.13982	2.9
223.14743	12.1
224.15558	4.0
225.16312	7.7
226.17160	2.9
227.14203	2.6
227.17970	2.5
231.11972	1.6
233.13194	1.9
234.13945	3.0
235.14845	4.6
237.16364	9.0
238.10469	1.4
238.17023	1.4
239.17889	4.3
240.18669	1.9
243.17462	1.9
247.14813	4.4
249.16313	4.6
251.17818	2.3
253.19565	2.2
255.17545	2.3
257.18976	2.0
259.20435	2.0
261.16357	3.9
263.17938	6.0
265.19424	4.3
267.21027	2.7
270.19531	2.7
272.21371	2.2
275.18005	1.9
277.19446	3.8
281.19168	1.8
283.20450	4.1
284.29376	2.9
285.22186	3.1
291.21103	1.7
297.22009	3.6
305.22516	1.7
309.21945	1.8
323.23666	7.3
337.25308	1.6
338.26004	43.8
347.23706	2.0
349.24954	1.9
351.27097	1.6
363.26971	1.9
397.29056	1.8
415.29901	2.1
420.30066	2.7
429.31174	1.8
430.32211	10.2
476.36465	12.9
568.42670	27.6
568.56042	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	569.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
69.03432	2.4
70.06573	3.0
71.54556	1.8
81.03394	1.0
85.02893	6.1
90.19559	0.9
97.02867	2.6
120.04464	2.5
123.69246	0.9
138.05495	3.7
147.04413	1.8
178.05031	3.1
185.07162	1.0
188.03406	4.3
196.06044	4.0
199.08652	1.1
206.04486	1.6
210.09189	1.0
213.10243	2.0
223.08603	1.6
227.08096	3.1
237.10307	3.8
239.08092	1.1
239.11746	2.0
239.40483	1.0
241.09624	5.3
243.11288	1.3
245.09163	2.7
251.08110	5.1
255.07632	5.2
255.11168	1.4
265.09650	7.3
266.10654	1.5
267.11276	2.3
268.09662	2.5
269.09213	22.2
271.40674	1.0
273.08676	6.1
279.07574	11.2
280.08371	1.6
283.10803	5.5
284.09183	1.7
285.12305	1.9
293.09106	12.5
295.10898	2.8
297.08685	33.5
301.11597	1.4
311.10181	5.7
313.11868	2.4
314.10120	1.4
315.09711	18.6
321.08591	10.2
325.11600	4.5
329.11301	3.9
332.11292	1.1
333.10788	11.9
339.09735	17.8
343.12894	9.4
357.10864	6.2
367.14777	0.9
371.12302	9.2
375.11606	4.7
389.13382	100.0
390.12469	3.1
396.24008	1.0
407.14462	31.8
593.74249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
69.03432	2.4
70.06573	3.0
71.54556	1.8
81.03394	1.0
85.02893	6.1
90.19559	0.9
97.02867	2.6
120.04464	2.5
123.69246	0.9
138.05495	3.7
147.04413	1.8
178.05031	3.1
185.07162	1.0
188.03406	4.3
196.06044	4.0
199.08652	1.1
206.04486	1.6
210.09189	1.0
213.10243	2.0
223.08603	1.6
227.08096	3.1
237.10307	3.8
239.08092	1.1
239.11746	2.0
239.40483	1.0
241.09624	5.3
243.11288	1.3
245.09163	2.7
251.08110	5.1
255.07632	5.2
255.11168	1.4
265.09650	7.3
266.10654	1.5
267.11276	2.3
268.09662	2.5
269.09213	22.2
271.40674	1.0
273.08676	6.1
279.07574	11.2
280.08371	1.6
283.10803	5.5
284.09183	1.7
285.12305	1.9
293.09106	12.5
295.10898	2.8
297.08685	33.5
301.11597	1.4
311.10181	5.7
313.11868	2.4
314.10120	1.4
315.09711	18.6
321.08591	10.2
325.11600	4.5
329.11301	3.9
332.11292	1.1
333.10788	11.9
339.09735	17.8
343.12894	9.4
357.10864	6.2
367.14777	0.9
371.12302	9.2
375.11606	4.7
389.13382	100.0
390.12469	3.1
396.24008	1.0
407.14462	31.8
593.74249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3829
Annotation	Integracin C
Peak:m/z	Relative Intensity
53.03933	4.9
55.01862	5.6
55.05510	16.9
57.03431	2.9
63.47160	1.3
65.03941	3.1
67.05500	47.8
67.05864	2.6
69.03436	2.5
69.07072	12.5
71.01339	2.7
71.04988	3.7
71.54187	1.6
71.54565	2.0
73.06508	1.3
79.05486	43.9
79.14469	1.5
81.03418	16.2
81.07053	40.1
83.04982	5.9
83.08611	8.6
85.06545	1.7
91.04946	2.5
91.05473	28.4
93.07041	41.1
95.04340	3.0
95.04961	51.9
95.08601	23.2
97.06513	3.7
97.10162	7.0
97.25885	1.4
99.08087	1.4
105.04495	2.4
105.07029	22.6
107.04946	9.6
107.08588	20.9
109.02905	4.4
109.06522	5.0
109.10130	10.4
115.05508	1.8
117.07033	16.4
119.08569	14.0
121.06485	5.5
121.10139	15.8
123.04414	29.9
123.08063	2.2
123.11733	3.0
125.09627	4.7
129.06989	9.6
131.08556	12.7
133.06487	1.8
133.10121	11.0
133.22789	1.6
135.08049	5.4
135.11671	10.9
137.09578	2.1
141.06946	2.6
142.07771	1.7
143.08539	8.2
145.06488	3.4
145.10097	16.7
147.08049	4.6
147.11676	7.6
149.05978	2.2
149.09723	2.5
149.13251	3.3
153.09152	3.9
155.08546	5.2
157.10060	8.0
158.69540	1.4
159.08012	2.2
159.11636	7.7
161.13216	2.9
163.11160	11.2
167.08611	2.4
169.10109	3.8
171.08038	2.3
171.11667	5.9
173.09615	5.8
173.13293	4.5
181.10107	2.4
183.11697	2.5
185.13304	4.0
187.14821	2.5
189.12787	4.5
191.10724	3.5
193.10100	1.8
195.11714	1.7
197.13312	2.7
199.11238	3.5
199.14874	2.0
207.12050	1.6
207.13730	8.0
217.12250	6.8
235.13249	42.5
235.15508	2.3
253.14343	2.0
261.22134	2.6
273.14908	2.7
291.15881	1.9
306.24973	1.6
325.25067	3.3
370.87814	1.4
419.50754	1.5
459.32507	1.9
477.33664	5.6
495.34726	3.6
495.41757	1.9
551.37170	7.0
569.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38481	1.4
53.03928	5.1
54.84951	1.8
55.01862	3.8
55.05505	25.7
57.03421	4.8
65.03932	5.3
67.05496	62.8
69.03411	3.0
69.07056	14.8
69.54887	9.0
69.55295	2.6
71.01327	2.3
71.04973	3.5
75.39702	1.6
77.92564	1.6
79.05482	56.5
81.03419	19.0
81.06565	3.2
81.07042	49.5
83.04946	5.8
83.08612	11.8
91.05473	33.5
93.07034	51.7
95.04356	3.1
95.04955	49.1
95.08597	35.3
97.06503	4.9
97.10159	8.4
98.21461	3.3
100.48671	1.6
105.07017	28.2
107.04949	11.7
107.08585	27.2
109.02850	6.2
109.06501	5.0
109.10165	11.6
111.08014	2.7
115.05424	2.9
117.07000	17.9
119.08569	19.2
121.06487	6.2
121.10140	22.1
123.04418	32.3
123.08086	4.1
123.11667	3.5
125.09586	5.1
128.06213	2.0
129.06966	12.1
131.08527	16.4
133.06473	3.1
133.10117	14.4
135.08009	5.5
135.11684	16.1
141.06955	3.1
143.08543	12.5
145.06467	5.2
145.10080	19.2
147.08018	4.9
147.11641	7.7
149.13257	4.9
153.09058	4.2
155.08527	6.5
157.10126	4.9
159.08067	3.0
159.11688	8.3
161.13158	5.3
163.11137	10.3
163.14841	2.7
169.10085	5.5
171.08080	1.6
171.11670	9.6
172.00677	1.9
173.09593	7.5
173.13217	4.1
175.11214	2.0
175.14766	2.0
179.08498	1.7
181.10057	3.9
183.11671	3.0
185.13223	3.6
187.14838	1.9
189.11217	1.9
189.12704	7.4
191.10681	4.2
193.10034	1.6
195.11720	2.5
197.13297	3.4
199.11148	2.6
199.14838	3.4
205.12216	2.0
207.13783	5.8
217.12207	6.5
227.12759	2.0
227.73537	1.8
233.13237	1.8
235.13252	40.6
261.22141	4.4
274.93869	1.6
291.15884	4.3
305.63275	1.8
325.25229	3.1
363.25806	2.0
459.32376	3.3
472.92636	1.7
477.33621	6.2
511.95569	1.6
551.37018	8.2
569.38190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3828
Annotation	Integracin C
Peak:m/z	Relative Intensity
51.02364	1.5
52.94912	1.0
53.03939	6.1
55.01851	4.2
55.05257	1.5
55.05503	22.0
57.03413	3.1
57.07059	1.7
59.27682	0.9
65.03917	4.3
67.05494	62.1
69.03414	2.3
69.07058	16.0
70.73021	2.5
70.73366	1.6
71.01311	2.0
71.04962	3.6
78.65843	1.1
79.05479	47.4
80.05822	1.2
81.03399	16.6
81.07045	40.8
83.04964	3.8
83.08601	8.6
91.05465	33.7
93.07033	46.1
93.21436	1.0
95.04954	41.9
95.08593	28.1
97.06519	3.6
97.10147	9.9
103.05399	1.9
105.04467	1.6
105.07013	23.9
107.04937	8.1
107.08575	23.6
109.02870	2.3
109.06499	4.7
109.10147	11.9
109.26299	1.1
111.08066	2.5
115.05438	1.6
117.06996	14.1
119.04906	1.3
119.08556	20.1
121.06492	6.0
121.10123	16.7
123.04408	27.6
123.08050	1.9
123.11653	3.7
125.09642	6.2
128.06195	2.6
129.06981	12.7
130.07739	1.8
131.04866	2.4
131.08568	14.5
133.06512	2.1
133.10120	11.0
135.08022	4.3
135.11665	11.6
136.27519	1.2
137.05904	1.1
137.09631	1.6
141.06960	3.0
143.08542	9.9
145.06454	4.3
145.10085	18.0
147.08020	4.4
147.11676	9.6
149.09561	2.4
149.13214	3.5
153.09090	1.9
155.08571	5.4
157.06396	1.4
157.10094	8.2
159.08049	3.0
159.11664	6.4
161.09595	2.8
161.13220	3.8
163.11153	11.0
167.08496	1.3
169.10080	5.7
171.07983	1.6
171.11639	7.8
173.09596	5.2
173.13222	5.4
175.14679	1.2
177.12698	1.3
181.10120	3.6
183.11694	4.2
185.09650	1.6
185.13234	3.4
187.11130	1.2
187.14738	2.0
189.11188	3.2
189.12714	6.3
189.36501	1.2
191.10603	3.3
195.11678	2.5
197.09630	1.9
199.11192	1.8
199.14783	1.6
205.12061	1.8
207.13715	5.8
209.13228	3.5
211.14749	2.1
217.12251	6.7
223.13167	2.2
227.12682	2.8
235.13232	35.5
235.15536	2.0
261.22113	4.1
273.14798	2.6
291.15948	3.0
325.25107	3.1
365.24689	1.3
383.60822	1.3
459.32574	3.1
477.33633	6.8
479.82315	1.4
495.34714	2.8
513.35364	1.2
551.37006	8.5
569.38177	100.0
570.38354	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	570.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
56.04996	0.4
57.06814	0.4
57.07069	5.7
58.06590	2.4
61.82323	0.3
69.07049	0.6
69.19928	0.4
70.06582	15.5
70.42548	0.3
71.08614	2.9
71.57443	0.7
71.57854	0.6
72.08131	0.5
74.06026	0.4
77.03905	0.5
81.06973	0.3
84.08100	0.3
85.10153	1.0
86.09700	0.3
88.07618	19.9
91.05511	0.4
95.04941	0.9
102.09166	15.4
103.05433	0.4
105.03377	15.5
129.09090	0.4
131.04889	0.9
137.64520	0.4
139.03839	0.4
144.59036	0.4
147.04527	0.4
149.02338	11.4
149.05957	64.8
150.06328	0.4
157.28679	0.4
175.03903	0.6
181.06454	2.0
193.04955	10.7
212.23747	0.9
219.06480	1.2
256.26315	52.2
257.26633	0.6
297.07535	13.8
341.10150	57.4
342.10504	0.8
570.34155	100.0
571.34448	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	571.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61387	0.8
55.84294	0.8
56.96535	2.0
69.03410	2.5
71.54320	1.1
81.03416	0.9
82.99845	1.5
85.02889	1.9
85.68835	1.0
91.05443	1.3
97.02844	1.3
98.97572	3.3
101.00861	5.0
103.02438	0.9
105.00313	1.2
109.02841	1.0
110.86591	0.7
116.98578	3.0
116.99324	0.9
119.01909	22.9
119.84142	0.9
121.01614	1.0
126.05508	2.4
128.98560	1.2
131.01891	6.7
133.03433	2.1
134.99648	1.0
135.04391	1.4
137.02910	4.0
138.05466	1.3
143.00104	1.2
143.01881	12.5
145.03474	7.9
146.99576	1.3
147.01324	1.1
155.01869	10.9
155.05530	1.3
157.03436	5.1
158.99655	1.6
159.01205	1.0
159.05014	1.0
161.02930	21.9
162.03059	1.1
163.03818	7.2
167.01846	3.9
167.05522	2.0
168.01993	0.9
169.01891	1.0
169.03435	3.2
170.99724	1.0
171.01270	0.9
171.04996	5.3
173.02946	21.4
173.06577	2.8
175.02881	1.2
175.04443	1.6
177.00620	2.0
179.01921	1.5
181.03448	1.3
183.01428	0.9
183.03461	1.0
183.05026	2.6
184.04510	1.8
185.01297	1.8
185.02951	31.7
185.06529	4.3
186.03070	1.4
187.02948	1.4
187.04465	4.2
189.00639	2.2
191.03969	2.6
195.05099	1.4
197.02931	13.7
197.06560	2.6
198.98495	1.2
199.04562	3.1
201.00725	3.2
201.02448	1.1
203.03963	10.8
204.08632	3.1
209.02922	2.1
209.06567	2.5
211.02815	1.0
211.04570	1.9
213.06012	1.3
215.02242	1.4
215.04021	11.1
217.05582	1.0
219.01782	2.8
221.02902	2.9
223.04543	2.1
225.06104	1.0
227.03976	9.3
227.07660	1.3
229.05598	4.4
237.02686	1.6
239.03999	2.1
241.05524	2.0
245.05052	100.0
246.05177	2.5
247.04530	1.3
247.06851	4.2
253.05502	3.3
257.05054	7.4
259.06662	1.1
261.02841	4.2
263.06146	11.3
265.05515	1.2
271.06570	19.2
272.06522	2.7
275.02914	1.5
275.06131	15.8
277.00073	2.9
277.07639	1.1
279.03812	2.3
281.04645	1.0
281.57114	0.9
283.06448	2.0
286.07507	1.7
289.07660	69.8
290.07919	1.8
293.07114	3.1
295.06808	1.2
301.07617	8.1
303.09085	1.8
305.07205	17.9
307.05423	1.6
307.08752	18.2
308.95822	1.0
312.09183	2.1
313.07578	5.9
317.07318	0.9
319.08533	3.6
325.07797	1.3
330.10251	2.6
331.08698	6.7
335.08115	3.9
337.09790	2.0
343.08652	1.1
349.06366	1.5
349.09741	6.8
355.08905	1.7
361.09711	3.9
365.09296	14.2
373.09921	5.9
391.11151	7.5
397.09253	3.3
409.12006	2.2
453.10822	1.1
571.17523	7.9
599.11749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	3.5
71.52232	1.4
71.52643	1.5
77.00893	1.4
82.99872	1.7
85.02880	4.5
87.04475	1.4
90.68464	1.2
91.05429	1.9
97.02853	3.7
98.97559	4.1
101.00835	6.8
113.00819	1.5
116.98643	1.3
119.01906	23.9
127.02364	1.7
127.03887	2.1
131.01904	9.1
135.04404	2.2
137.02937	3.2
138.05562	1.4
143.01872	17.7
145.03496	10.7
149.02904	2.4
155.01859	11.6
155.05443	2.1
157.03473	9.6
159.05000	1.5
161.02931	24.6
161.86548	1.4
163.03778	10.4
167.01823	5.8
167.05537	2.0
169.03445	3.1
170.99709	1.6
171.04970	5.3
173.02951	21.4
173.06491	1.8
175.04581	2.4
177.00705	1.7
179.01894	2.5
183.04968	3.7
185.02950	35.8
185.06575	2.9
187.04486	5.3
193.03601	1.9
196.04597	1.9
197.02936	13.8
197.06496	2.4
199.04459	4.3
201.00711	1.3
201.02328	1.4
203.03963	16.2
208.04489	2.1
209.03004	1.5
209.06540	3.2
210.04758	2.0
211.04536	4.1
213.05956	1.4
215.00363	1.7
215.03961	10.4
216.04506	1.8
221.02905	5.7
221.05022	6.8
225.06142	1.5
227.03967	12.4
229.05582	3.2
231.62361	1.5
233.04974	1.5
237.02823	1.7
239.03935	4.1
239.06113	4.5
245.05043	100.0
246.05161	1.8
247.06821	7.0
253.05556	3.9
257.05066	7.3
261.02634	1.7
263.06125	16.6
265.07764	2.1
270.56790	1.8
271.03598	2.0
271.06564	19.8
275.06088	25.6
277.07837	2.2
281.07159	2.4
283.06503	2.9
286.07541	1.9
286.35315	1.3
289.04343	5.0
289.07642	77.9
290.07446	1.7
293.07050	4.5
301.04282	2.1
301.07596	10.7
305.07166	17.8
307.08725	19.8
312.09338	2.3
313.07675	4.5
319.05423	3.0
319.08722	3.8
328.53403	1.3
331.05203	1.9
331.08624	9.6
335.08170	4.3
337.09601	2.7
349.09940	6.4
355.08688	1.6
361.09830	3.7
365.09369	14.3
373.05646	2.7
373.09799	6.9
383.10181	2.5
391.06860	4.1
391.11209	7.5
397.09695	6.9
539.11450	1.7
553.16132	3.0
571.17273	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	572.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43800	1.4
66.74062	1.4
69.22394	11.8
69.22817	4.0
80.29590	1.2
82.13355	1.2
85.02903	4.5
91.05470	7.7
93.07040	3.5
95.04914	1.8
97.02874	1.3
103.05453	5.8
105.07014	6.1
107.04938	4.0
109.06489	2.3
119.04912	9.0
121.06506	7.3
122.03671	2.4
131.04929	6.8
133.06497	5.3
135.04431	2.9
137.05952	50.9
147.04372	10.0
149.05966	26.3
150.06825	1.5
151.07504	2.8
153.05414	3.5
161.05957	100.0
162.06709	8.7
163.07544	6.1
174.06729	1.9
175.07529	12.7
179.06981	7.8
179.57758	1.4
188.04698	2.6
191.06996	4.0
193.06398	3.5
195.06537	6.4
203.07008	66.2
210.06737	3.9
215.07024	1.6
221.05954	7.3
221.08023	39.1
225.09047	8.3
233.08017	16.3
237.09085	2.3
238.06255	2.8
249.11169	5.5
250.11594	5.2
251.11812	3.5
253.08583	18.4
254.09386	2.1
265.08582	6.3
267.10138	6.4
270.08694	2.7
277.08688	4.0
285.11203	60.0
295.09702	3.8
297.11246	11.8
307.09738	2.8
309.11115	7.7
325.10605	11.0
327.12225	80.3
339.12253	6.2
345.13254	41.7
357.13312	11.6
506.09457	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	572.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23731	0.9
50.54058	0.9
53.39606	0.8
62.14148	0.9
69.03434	1.2
70.06580	1.9
70.69955	2.9
73.01869	1.0
78.04701	1.4
78.88062	0.9
79.05488	3.4
85.02895	3.4
86.09726	1.1
91.05497	4.0
94.04189	2.7
95.04947	2.8
103.05437	7.7
105.07036	2.5
107.04945	5.6
111.04395	1.3
115.05473	1.2
117.07053	1.3
121.06475	1.6
122.03631	4.8
123.04410	1.6
124.05199	2.1
128.06197	1.2
131.04913	13.8
133.06471	3.4
135.04366	1.2
135.08069	5.8
137.05959	100.0
143.08607	1.6
145.06451	2.4
147.04388	1.9
147.07925	2.1
149.06036	1.2
151.07495	8.6
152.04788	1.0
158.07213	1.1
161.05974	4.0
163.07530	35.7
165.09158	1.4
166.72415	1.0
167.07025	56.3
171.08028	2.6
174.06796	2.5
175.07574	6.0
177.09052	3.1
179.07014	2.7
181.04973	1.0
187.07599	2.8
188.08290	1.7
189.09106	3.9
193.06978	0.9
193.08487	4.8
201.09129	2.5
203.10678	4.2
207.10147	1.7
219.10167	3.1
221.11792	1.8
222.91315	1.1
227.17236	1.0
233.11729	3.1
247.09367	1.9
249.10921	2.5
251.12714	1.5
261.09137	1.7
265.12326	1.2
293.11749	2.5
325.14316	13.0
357.16934	29.6
375.17996	20.7
386.31287	1.0
410.14951	3.8
411.16080	4.5
465.08075	1.1
534.52521	1.0
572.19952	3.0
573.21045	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	573.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01856	6.7
55.05502	13.0
56.52868	2.0
57.03421	7.2
59.04985	2.0
65.03941	3.6
67.05495	23.3
69.03410	2.8
69.07055	6.0
69.46767	2.1
71.01360	3.3
71.04971	3.4
71.56410	2.5
72.73974	1.9
79.05482	19.5
81.03406	62.4
81.07053	33.0
83.04967	5.7
83.08612	11.2
84.35303	2.1
85.02894	17.4
91.05470	24.9
93.07050	15.2
95.01312	3.3
95.04947	17.0
95.08593	10.5
97.02864	2.8
97.06520	3.4
97.10162	4.7
103.05459	4.6
105.07016	23.2
105.32662	1.9
107.04935	9.6
107.08582	9.2
109.02873	2.8
109.06538	3.1
109.10135	5.3
111.08060	6.2
115.05456	8.1
117.07052	10.3
119.04943	4.1
119.08553	11.1
121.02730	2.2
121.06495	5.4
121.10130	7.8
123.04360	5.6
123.08027	3.1
123.11687	5.3
125.09599	3.2
128.06239	3.1
129.06969	8.5
130.88544	2.4
131.04913	9.4
131.08517	11.1
133.06474	8.4
133.10104	9.8
135.11714	4.3
137.05960	2.6
141.06970	3.5
141.39656	1.9
143.08546	4.4
145.06482	7.3
145.10109	4.6
147.04399	7.3
147.08101	3.4
147.11758	4.9
149.09619	3.9
151.03938	11.1
155.08592	5.3
157.06471	3.6
157.10194	4.3
159.04494	5.4
159.08035	5.2
160.05174	23.2
161.05931	25.9
161.09616	6.1
163.11192	3.5
171.08113	3.5
173.05951	28.9
173.09589	3.4
175.07451	2.8
175.11154	6.7
181.12268	2.6
183.08173	2.9
183.11650	2.3
187.07568	5.0
189.09077	3.1
189.11295	3.8
193.12222	13.1
203.07059	8.6
203.10666	4.7
211.11314	4.1
211.13219	19.4
243.13788	7.6
253.12213	2.6
259.50269	2.2
271.13245	25.2
273.14975	3.4
276.44376	2.2
283.15363	4.3
285.14618	30.8
289.14362	22.2
301.14319	3.2
313.14233	26.5
315.15823	3.5
331.15329	14.7
345.16907	12.4
387.18063	12.6
405.18997	5.7
463.24542	3.9
481.25772	6.1
499.26404	3.9
552.42346	2.2
555.29211	20.4
556.30383	3.2
573.30450	100.0
573.48822	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	573.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01869	2.4
55.05494	9.2
57.03426	5.8
67.05495	21.9
69.03416	2.9
69.07043	6.9
69.14259	2.1
71.54663	2.2
74.10103	2.0
79.05486	17.2
81.03411	63.8
81.07047	21.1
82.01491	1.9
83.04967	6.1
83.08609	13.5
85.02891	27.3
91.05462	22.5
93.07062	13.1
93.71052	2.2
95.01322	2.7
95.04964	16.5
95.08598	12.9
95.76427	2.0
97.02883	3.1
97.06516	2.1
97.10187	3.7
103.05478	5.4
104.06268	3.5
105.07021	23.6
107.04951	7.9
107.08601	8.7
107.45972	2.2
109.02865	5.0
109.06538	2.9
109.10176	2.4
111.04507	2.5
111.08058	5.3
115.05426	11.0
117.07022	7.3
119.05006	2.7
119.08569	14.3
121.06531	3.7
121.10136	3.9
123.04419	4.1
123.08051	2.9
125.09647	2.1
128.06262	2.7
129.06984	9.4
131.04857	10.6
131.08569	6.6
133.06477	6.7
133.10095	4.9
135.11661	2.6
141.06967	2.4
145.06487	6.3
145.10098	3.7
147.04391	7.0
147.08086	3.3
147.11694	3.5
151.03941	3.4
157.10135	5.8
159.04405	6.9
159.08072	4.4
160.05211	20.0
161.05948	24.5
161.09622	6.6
165.12881	2.4
173.05971	20.1
175.11203	6.0
186.06711	2.5
187.07498	6.4
189.09161	5.0
193.12230	13.0
199.07503	2.2
203.07068	3.3
203.10674	5.3
211.13251	19.2
227.12711	3.7
243.13896	7.9
271.13284	28.4
273.14624	4.4
285.14740	7.3
285.17093	9.1
289.14331	23.0
295.13696	2.4
313.14346	6.9
331.15442	2.6
345.17032	10.2
387.17862	3.0
405.19135	2.7
555.29071	11.8
573.30524	100.0
573.48511	4.0
574.30511	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	573.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01874	12.8
55.05504	34.4
55.11044	2.6
57.03426	8.4
57.07064	6.8
58.67687	2.0
65.03922	3.4
67.05498	78.6
69.03424	5.0
69.07056	25.5
71.05001	3.4
73.02895	2.2
74.09712	16.3
79.05484	92.5
81.03408	11.7
81.07046	100.0
83.04965	13.3
83.08605	17.2
85.06542	5.3
91.05471	80.7
93.07035	74.4
93.07621	3.4
95.04958	29.6
95.08595	53.9
97.06534	20.1
97.10162	8.4
98.21503	5.1
99.08080	3.2
103.05431	3.1
105.07023	65.4
107.04933	17.4
107.08587	33.2
109.06524	16.4
109.10136	16.4
111.08062	3.3
117.06996	19.9
119.08570	41.8
121.06493	9.9
121.10130	17.1
123.08052	9.4
123.11737	5.6
125.09605	6.3
128.06180	3.9
129.06989	18.4
131.08566	22.8
133.06445	3.7
133.10115	27.8
135.08031	7.4
135.10753	2.3
135.11658	12.9
137.09581	3.5
143.08583	12.5
145.06474	2.6
145.10077	27.1
146.69427	2.0
147.08011	4.2
147.11684	38.8
149.09598	14.7
149.13249	4.3
151.11143	3.6
155.08536	3.0
157.10060	6.3
159.11674	9.7
161.09607	6.7
161.13260	15.1
163.11169	10.7
165.12680	3.6
169.10129	3.8
171.11647	23.9
173.09485	2.9
173.13242	4.5
183.11662	3.3
189.12726	8.8
207.13817	19.0
227.12825	5.5
229.19412	3.9
229.65927	3.2
239.17940	4.9
247.20499	6.1
253.14388	2.9
257.19003	10.9
267.15964	7.7
273.18488	4.0
275.20038	64.5
281.17416	35.6
291.19308	2.8
293.21030	5.8
349.23688	19.1
475.30322	5.3
555.36774	27.3
573.37451	22.5
573.48468	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	573.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63300	0.8
51.98804	0.9
53.03930	2.1
55.05506	15.1
57.07067	33.6
62.98248	2.2
65.03934	2.0
66.12460	0.7
67.05495	40.7
69.03423	0.9
69.06708	1.3
69.07055	15.0
70.20363	4.7
71.04975	1.9
71.08619	24.7
79.05481	27.7
80.94841	18.0
81.07046	37.6
83.04934	1.1
83.08611	15.4
85.06512	1.5
85.10173	13.7
86.04655	0.8
91.05465	16.1
93.07030	32.1
95.04960	3.7
95.08591	40.0
97.06538	1.0
97.10156	8.4
99.11720	1.8
104.99258	44.1
105.07018	9.4
105.99612	1.3
107.08585	13.9
109.10133	15.3
111.08098	1.0
111.11712	1.7
111.25738	1.2
117.07032	2.4
119.08578	6.6
121.10130	14.5
123.11671	4.7
125.13281	1.9
131.08540	5.8
133.10109	5.9
135.11678	7.6
137.13248	2.1
145.10095	2.9
147.11708	3.0
149.13255	4.0
156.94862	1.1
159.11656	3.3
161.13275	3.5
162.95166	0.8
163.14757	1.3
167.92653	0.9
173.13252	3.2
174.13823	0.9
175.14838	1.4
177.59756	0.8
182.55540	0.9
184.88918	2.4
186.99527	14.5
187.14819	1.4
230.47066	0.8
239.23613	8.7
243.21016	2.1
244.95387	18.3
261.22110	6.4
268.99796	22.9
269.02533	1.9
270.00052	1.2
313.27441	3.9
317.24539	4.0
353.99649	0.8
354.11627	0.9
377.63574	0.9
408.95926	1.2
409.90027	0.9
567.91467	2.1
573.48682	100.0
574.48785	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	574.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39556	6.0
69.58825	13.1
69.59238	36.3
73.73207	7.3
80.56950	5.6
91.05473	13.2
95.04951	8.5
105.07037	7.1
115.05488	6.4
119.04884	16.4
121.06499	11.5
129.06984	8.7
131.04976	7.3
137.05971	100.0
147.04395	15.6
151.07545	40.9
161.05986	81.6
161.09590	18.6
162.06606	8.1
163.07536	7.9
174.06711	8.0
175.07547	25.1
189.09035	46.4
190.47879	6.7
195.10155	10.3
207.10162	62.5
211.07538	9.6
219.08067	15.2
219.10176	47.5
223.07536	6.7
225.09088	13.0
235.32701	5.9
237.09056	11.8
248.08192	6.8
251.10652	7.5
253.08582	16.4
255.10167	13.4
265.08502	15.8
279.10132	8.7
283.09579	16.7
285.11240	9.9
297.11169	37.2
309.11380	8.7
311.12753	10.7
329.13824	54.7
331.15314	14.4
337.14294	10.5
355.15369	30.8
479.20511	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	575.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05503	5.6
55.71819	1.6
57.03446	1.9
63.12080	1.6
64.24485	1.9
67.05489	8.3
69.07045	3.8
71.04961	1.9
71.53064	2.8
74.83968	1.6
79.05495	9.0
81.03402	6.9
81.07064	11.4
83.04967	1.8
83.08598	4.2
91.05450	6.1
93.07034	7.4
95.04963	3.8
95.08585	6.8
105.07002	4.3
107.04939	3.0
107.08591	3.5
109.10158	2.7
115.05444	2.5
117.03378	2.3
117.05731	1.9
117.07012	3.0
119.04944	1.9
119.08543	2.9
121.06461	4.4
121.10140	3.1
123.08027	2.0
129.07024	4.3
130.06511	11.2
131.08492	4.3
132.08080	22.1
133.06506	2.4
133.10106	4.4
137.05978	16.6
142.06464	4.9
143.07288	5.4
144.04353	3.6
145.02826	7.0
145.05156	2.1
145.06398	1.9
146.78000	1.8
147.04391	4.2
149.05960	3.6
155.25140	1.8
158.09612	2.2
159.09172	55.1
160.07565	88.7
161.05945	21.0
169.09987	2.5
170.06009	14.1
175.07489	3.4
177.05475	19.5
179.07010	3.3
185.07132	10.1
187.08730	3.0
202.08614	100.0
203.04117	2.1
203.07028	51.2
203.08781	3.0
209.11528	2.5
219.11270	44.6
221.06004	3.1
222.06714	2.7
225.09128	3.4
233.08038	5.8
237.09084	4.4
245.09154	2.1
253.08536	4.4
265.08514	10.6
285.11102	4.5
290.11774	3.6
297.11246	10.3
307.09622	4.9
315.12122	5.8
327.12225	8.5
339.12289	4.4
350.13806	2.7
357.13211	2.8
361.15802	2.7
389.15018	1.9
395.15891	2.8
485.20740	6.6
497.92032	2.1
515.21588	20.7
543.20496	2.1
545.22247	2.9
575.23553	3.6
575.31049	11.6
575.50116	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03940	8.1
54.54288	1.2
55.01869	12.9
55.05504	48.1
56.87597	1.4
57.03432	12.3
57.07049	3.0
58.97556	1.2
59.04977	1.6
64.90182	1.3
65.03932	4.9
67.05496	61.6
69.03422	13.1
69.07057	38.7
70.79039	3.3
71.04993	7.8
78.68229	1.5
79.05482	59.4
81.03406	42.0
81.07045	68.5
82.07376	1.4
83.04967	16.7
83.08129	2.3
83.08605	29.7
84.13165	1.4
85.02891	16.3
85.06526	3.8
91.05472	56.7
93.07030	42.0
95.01340	1.4
95.04953	33.8
95.08594	28.0
97.02872	9.5
97.06525	10.5
97.10159	25.4
99.08083	3.1
103.05476	2.2
105.07021	39.5
107.04950	20.2
107.08581	31.3
109.06503	12.1
109.10150	15.5
111.04432	4.9
111.08076	9.6
113.05970	2.8
115.05444	3.5
117.07005	14.4
119.04962	2.7
119.08568	36.7
121.06486	6.1
121.10120	18.4
123.08057	12.7
123.11684	6.6
125.09631	17.3
127.07481	1.8
128.06265	2.0
129.06992	14.0
130.07776	1.7
131.08562	19.4
133.06523	6.9
133.10101	17.6
135.08046	7.5
135.11707	6.6
137.06023	1.7
137.09602	6.8
141.06958	2.8
142.07729	2.6
143.08521	7.1
145.06454	2.7
145.10094	14.7
145.38721	1.5
146.07292	1.5
147.04424	1.9
147.08031	10.3
147.11664	15.7
149.09616	8.5
149.13213	2.3
153.09026	2.7
153.12808	1.8
155.08533	3.4
155.10600	1.6
157.10088	13.5
159.11685	5.6
161.09602	4.4
163.07605	1.4
163.11203	5.7
165.09100	4.2
165.12781	5.1
169.10150	2.9
169.12184	1.5
171.10281	1.9
171.11656	4.8
173.09659	2.7
173.13254	3.8
175.09828	2.1
175.11125	12.4
177.12730	1.6
181.10075	1.7
181.12231	2.3
183.11714	3.2
185.13211	1.7
187.11266	3.2
187.13290	1.4
189.11205	14.0
189.12747	2.0
193.12216	28.3
194.12573	1.4
195.13684	1.8
199.11116	2.0
205.12202	3.3
209.11667	1.6
211.13249	34.3
219.13762	10.6
223.13231	17.0
225.07634	1.5
227.12779	10.7
227.18018	1.9
229.14308	1.7
245.13803	1.7
245.19023	4.0
247.49117	1.6
249.14915	5.0
253.14110	1.7
255.17471	3.2
263.20029	1.8
267.15869	21.8
273.18466	28.7
273.21198	2.1
275.20035	8.1
283.15503	2.3
285.16986	4.5
291.19495	100.0
292.19943	4.2
293.21039	2.1
297.18597	2.0
310.32672	1.7
313.21658	4.5
315.19421	2.7
333.20636	2.3
347.22244	4.2
349.23752	2.7
365.23245	8.2
445.24820	1.6
465.29681	2.8
539.33679	3.9
557.34662	27.9
575.35712	80.1
575.50189	3.5
576.36121	6.6
593.91089	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	575.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.4
55.01867	14.2
55.05504	50.1
57.03432	16.4
57.07066	4.8
59.04982	2.6
65.03934	6.4
67.05495	90.9
67.05858	4.4
69.03412	10.5
69.07060	33.6
69.25869	25.3
71.04978	17.8
78.72335	2.0
79.05482	82.4
81.03409	48.6
81.07046	100.0
83.04963	26.2
83.08604	30.5
85.02885	18.0
85.06528	9.5
87.04430	2.1
90.50714	2.0
91.05467	84.6
93.07033	79.4
95.04964	38.3
95.08591	58.3
95.28716	2.4
97.02882	4.3
97.06525	13.6
97.10175	19.9
97.72373	2.5
98.21487	4.4
99.08080	3.9
103.05486	3.7
105.04531	2.9
105.07015	67.4
107.04935	18.2
107.08576	45.9
107.09251	2.4
109.06512	11.7
109.10139	28.7
110.72886	2.1
111.04410	2.7
111.08047	11.9
113.06018	3.1
115.05428	6.1
117.07004	29.6
119.08566	48.3
121.06490	12.8
121.10114	29.4
123.08060	9.5
123.11674	7.4
125.09591	16.0
128.06229	6.0
129.06998	24.1
130.07703	3.3
131.08554	44.0
133.06464	9.0
133.10114	45.9
135.08037	13.9
135.11688	15.6
137.09642	6.9
139.07506	3.5
141.06982	6.4
142.07776	6.4
143.08540	20.7
145.06531	4.5
145.10098	33.6
147.08029	9.6
147.11656	21.5
149.09599	17.8
149.13264	3.3
151.11172	16.9
153.06946	3.0
153.12743	3.3
155.08528	13.8
157.10088	25.3
159.08023	6.2
159.11671	21.2
161.09615	8.1
161.13185	5.0
163.11183	8.2
165.12746	4.8
169.10110	12.3
171.11652	13.9
173.09625	4.9
173.11839	3.5
173.13235	9.9
175.11186	12.1
175.14879	3.3
177.09134	2.7
177.12691	2.9
179.10675	4.1
181.10165	6.0
183.11681	10.4
185.09616	2.5
185.13258	9.7
187.11208	4.5
189.11208	7.7
189.12756	4.9
191.10576	2.6
193.12196	30.0
195.11685	6.3
197.13275	6.2
199.11200	3.8
199.14839	4.6
209.13266	5.3
211.13235	28.1
211.14893	2.7
217.15987	3.2
223.13176	4.5
225.16431	3.2
227.12816	7.2
227.18036	2.9
245.18997	4.3
251.12737	3.0
253.14281	12.1
255.17532	4.2
263.20059	5.0
267.15884	16.4
271.20563	3.2
273.18506	32.8
275.19998	3.4
285.16943	5.8
287.20004	4.0
291.19464	48.1
293.19086	2.5
299.23734	8.0
309.20578	4.6
313.21686	3.4
343.22781	2.6
347.22290	8.8
349.21378	2.4
365.23260	6.7
421.25931	5.5
433.30930	12.7
451.32196	8.7
463.27081	3.1
469.33170	4.4
507.34689	3.0
517.35321	11.2
525.35590	30.9
539.33984	5.4
543.36841	34.1
557.33801	16.3
575.35278	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93966	2.0
52.26487	1.9
52.54731	1.8
53.03926	5.9
55.01865	12.7
55.05260	3.5
55.05506	47.0
57.03435	14.1
57.07062	4.0
59.04993	3.8
60.09886	1.8
60.16746	2.0
63.25505	1.9
65.03925	5.7
66.23811	1.8
67.05497	100.0
69.03407	8.4
69.07063	28.9
70.88834	2.1
71.04980	14.0
71.27304	5.4
77.03886	1.8
79.05482	71.5
79.95845	2.0
81.03407	35.5
81.07047	94.1
83.04977	17.4
83.08606	35.9
85.02890	17.0
85.06524	8.8
88.59550	1.9
91.05470	83.0
93.06462	4.1
93.07033	70.2
94.69897	2.2
95.04964	28.8
95.08592	64.6
97.02863	6.4
97.06506	12.5
97.10162	21.3
99.08076	7.5
103.05422	3.3
105.04527	2.1
105.07021	67.0
107.04935	12.4
107.08583	36.8
109.06508	11.6
109.10139	30.2
111.04417	2.4
111.08047	10.1
115.05451	5.7
116.93462	2.0
117.07005	23.7
119.08562	45.6
121.06492	14.6
121.10127	31.0
123.04438	2.2
123.08035	11.5
123.11671	8.4
125.09616	14.6
128.06197	5.9
128.71849	2.0
129.07002	23.3
131.08551	34.9
133.06477	7.6
133.10112	43.8
135.08067	10.8
135.10754	2.4
135.11652	11.9
137.09596	6.0
141.06984	4.0
142.07748	6.2
143.08548	20.0
145.10104	29.3
147.08028	9.1
147.11691	19.3
149.09616	14.9
151.11156	9.2
153.09149	2.8
155.08540	10.4
156.09312	3.8
157.10114	22.3
159.08078	6.0
159.11694	18.9
161.09599	12.4
161.13290	7.2
163.11180	8.1
163.14899	2.3
167.08514	4.9
169.10086	13.6
169.12292	2.9
171.11632	14.2
173.09543	3.3
173.13245	11.5
175.11179	14.1
175.14825	3.9
177.09036	2.6
177.12750	3.6
179.08490	2.4
181.10129	5.6
183.11650	8.9
185.09572	2.4
185.13240	12.8
187.11238	2.7
187.14799	5.0
189.11174	8.3
189.12688	4.9
193.10435	3.9
193.12173	18.7
195.11668	8.0
197.13274	8.6
199.11278	2.3
199.14818	5.5
201.12810	2.9
205.12114	2.6
209.13235	7.8
211.13197	23.2
213.16284	2.5
217.15807	3.3
219.13907	2.3
223.15001	3.4
227.12691	10.8
227.17921	3.6
237.16348	2.3
245.18913	6.2
253.14368	7.0
255.17429	2.3
263.20245	2.9
267.15866	8.8
273.18533	25.7
275.19894	3.4
283.20740	2.4
285.22076	6.1
287.19949	4.3
291.19449	30.1
292.19861	2.1
299.23685	6.9
301.21509	4.1
303.19620	2.5
309.20078	2.2
313.21918	2.3
347.22040	6.8
365.22906	4.9
373.23926	2.7
415.29526	3.6
421.25488	5.5
433.31030	15.4
451.32001	12.5
469.33221	5.5
499.34222	2.5
507.34692	4.5
517.35321	19.6
525.35699	35.9
543.29224	3.5
543.36853	40.5
557.36920	13.5
575.36591	32.0
575.50269	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	575.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05507	42.4
57.07069	69.5
58.07399	1.2
58.94968	0.8
59.04965	1.2
65.03943	1.8
67.05498	44.5
68.05841	1.3
69.07061	78.0
70.69864	1.2
70.70206	2.5
71.04981	1.1
71.08624	60.4
79.05486	7.7
81.07050	78.8
83.08612	69.1
84.08987	1.1
85.10175	35.0
91.05466	2.1
93.07029	7.1
94.38935	0.8
95.08598	100.0
97.10162	62.2
99.11710	5.9
105.07077	1.0
107.08604	4.5
109.10149	61.2
111.11707	44.9
113.13308	3.1
119.76095	1.0
121.10126	3.2
123.11697	26.6
125.13261	18.9
126.99914	0.8
127.14814	2.8
133.10202	1.2
135.11662	2.2
137.13229	12.2
139.14801	5.6
141.16380	1.3
149.13220	1.7
151.14801	10.6
153.16344	2.2
163.14861	1.6
165.16391	9.9
167.17941	1.4
179.17911	4.7
193.19478	2.3
207.20959	1.5
227.71857	0.9
235.24159	1.0
245.32208	1.0
249.25774	1.7
263.27332	1.1
265.25232	1.6
277.29031	1.3
288.60034	1.0
291.30420	3.0
305.32141	1.7
361.38242	3.6
502.04138	1.1
557.60132	15.0
575.41498	1.8
575.50085	23.9
575.61017	14.8
576.50751	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	577.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56745	2.0
53.00281	1.9
53.03941	6.3
55.01875	9.7
55.05255	3.9
55.05505	46.8
56.05849	2.0
57.03427	7.5
57.07066	5.5
59.04977	2.8
61.64957	2.0
61.91140	1.7
65.03941	4.8
67.05496	100.0
67.05866	4.9
69.03424	4.7
69.07066	24.2
71.04979	6.4
71.54506	2.8
79.05484	50.2
81.03404	4.5
81.07048	95.8
83.04971	10.6
83.08607	27.4
85.05943	2.0
85.06519	7.3
89.06374	2.0
91.05472	44.2
93.07028	63.2
95.04966	11.6
95.08598	67.0
97.02876	3.0
97.06515	11.1
97.10159	30.5
99.00819	9.1
99.08052	3.2
103.05450	1.9
105.07014	44.1
107.04960	6.6
107.08571	42.6
109.02876	9.5
109.06496	4.1
109.10151	38.4
111.04411	6.5
111.08070	7.8
112.67474	2.1
115.05421	2.5
117.07008	17.5
119.08571	32.6
121.06509	6.7
121.10137	23.6
123.08035	2.5
123.11691	16.4
125.09637	20.1
127.03844	3.1
128.06200	2.9
129.07014	10.5
129.95529	2.0
131.08574	24.8
133.10109	39.6
135.08029	4.0
135.11668	21.2
137.09592	3.4
137.13228	5.5
143.08559	14.8
145.10100	17.7
147.08070	3.3
147.11662	16.7
149.09610	4.4
149.13173	11.1
151.11177	12.8
153.12741	3.3
155.08525	6.9
157.10091	11.8
159.11659	15.5
161.09589	16.9
161.13249	9.2
163.11183	7.3
163.14836	2.6
169.10092	6.5
171.08064	6.4
171.11667	8.4
173.09532	3.4
173.13254	11.8
175.11238	3.0
175.14828	5.1
179.10678	7.4
181.12213	5.0
183.11726	6.0
185.13254	8.1
187.14740	4.3
189.09164	7.1
189.11235	11.5
189.12749	3.4
191.10521	2.3
193.10126	2.3
193.12541	2.1
197.13287	4.5
199.14893	4.4
207.10127	2.6
209.13345	2.6
211.14810	5.7
213.16429	3.5
221.13397	2.2
223.14799	2.8
225.11110	15.4
227.12700	21.7
241.19476	4.0
243.12206	5.0
243.21039	4.7
254.93459	2.1
259.20618	9.0
261.22089	22.9
277.21606	7.1
279.23114	6.1
281.13873	8.0
283.15512	4.4
287.23630	6.8
289.21628	3.3
297.22052	4.5
299.14804	25.0
299.19955	2.6
301.16190	2.4
313.21750	3.5
315.23160	13.0
317.24847	3.1
333.24289	5.5
335.25885	21.2
403.30170	2.6
421.30887	7.0
431.29642	4.1
439.31909	6.8
449.30414	7.6
457.33176	4.9
467.31561	17.2
467.37277	3.4
471.27353	2.1
485.32535	13.2
495.34821	2.7
497.35800	2.4
513.35895	13.6
531.36768	13.8
533.38147	2.4
541.35278	41.9
545.38300	3.1
559.36218	39.3
577.09528	4.4
577.36859	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	577.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01862	8.9
55.05502	43.2
57.03425	10.2
57.07056	7.7
59.05005	3.0
65.34748	2.5
67.05495	94.9
69.03413	3.1
69.07059	24.5
71.04992	7.0
71.54128	3.5
79.05477	56.9
81.03409	4.5
81.07046	100.0
83.04974	10.1
83.08601	27.3
85.06535	4.8
85.24771	3.0
91.04948	4.8
91.05466	50.5
93.07033	55.6
95.04958	8.6
95.08591	65.5
97.02911	3.2
97.06521	9.6
97.10148	31.6
99.00809	6.9
105.07013	47.5
107.04950	5.2
107.08580	47.3
108.93903	2.7
109.02886	7.9
109.06554	3.5
109.10128	36.3
111.04477	6.5
111.08049	5.6
117.06993	16.2
119.08559	36.4
121.06507	8.7
121.10124	31.3
123.08067	6.9
123.11694	16.4
123.18252	2.8
125.09602	20.9
128.06230	5.5
129.07007	9.5
131.08528	29.7
133.06580	2.6
133.10106	41.7
135.08064	4.9
135.11676	26.8
137.13205	3.4
141.06992	3.7
143.08549	10.5
145.10104	25.6
147.08014	4.2
147.11694	20.7
147.12709	4.4
149.09586	3.8
149.13239	14.2
151.11183	5.2
153.09096	3.0
153.12680	2.9
155.08597	4.2
157.10124	10.4
159.08009	5.4
159.11644	21.9
161.09622	9.7
161.13264	13.0
163.11234	4.6
163.14740	2.7
167.08514	4.3
169.10121	6.1
171.08105	4.0
171.11703	9.9
173.13268	12.8
175.14864	7.5
179.10687	4.3
181.10135	2.8
181.12224	6.0
183.11734	4.5
185.13287	9.3
187.14809	10.0
189.09174	6.4
189.11203	15.9
189.12718	3.9
195.11610	4.2
197.11652	2.9
197.13312	3.6
199.14792	6.5
201.16382	3.7
209.13239	3.5
211.14804	3.4
213.16260	3.4
221.13220	3.1
223.16820	3.1
225.11125	18.1
227.12773	17.0
241.19519	4.1
243.12244	7.2
243.21011	7.5
245.13860	3.8
259.20569	6.8
261.22092	30.2
277.21637	8.3
279.23380	5.0
281.13812	6.8
283.15445	4.4
287.23636	5.2
299.14874	24.0
315.23102	13.8
316.23196	2.8
317.24637	4.9
333.24100	6.7
335.25735	26.5
403.30301	3.6
421.31149	11.5
431.29254	4.5
439.31943	8.0
449.30399	10.9
450.84900	3.2
454.84442	3.4
457.33090	8.0
467.31592	21.8
485.32516	21.4
495.34204	3.9
513.35706	18.8
515.37061	4.7
523.34357	3.3
531.36786	15.4
541.35083	46.6
559.36121	51.6
577.36792	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	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08831	2.4
53.03933	10.4
55.01860	17.0
55.05503	34.9
57.03436	16.2
60.38529	3.0
64.81342	2.6
65.03921	5.6
67.05155	4.5
67.05500	68.4
69.03406	6.3
69.07051	27.0
69.42968	23.3
71.04970	8.0
75.88477	2.8
79.05041	5.6
79.05479	75.0
81.02956	4.7
81.03408	50.4
81.07048	100.0
83.04990	19.1
83.08601	28.9
85.02902	22.2
85.06523	6.1
85.84237	2.6
91.05460	70.4
92.05807	3.4
93.07033	55.4
95.04955	38.1
95.08595	42.7
97.02894	4.0
97.06533	21.1
97.10162	13.9
98.21449	5.8
99.08103	4.6
103.05453	2.6
105.04523	3.4
105.07017	57.9
107.04935	15.7
107.08572	34.5
109.06519	19.0
109.10133	25.8
111.04451	5.3
111.08065	10.5
115.05492	2.8
116.06238	3.4
117.07002	17.2
119.08566	43.6
121.06480	3.8
121.10124	28.2
123.04436	3.2
123.08069	12.6
123.11687	8.9
125.09630	10.5
128.37769	3.2
129.06992	18.1
131.08560	31.6
133.06496	3.6
133.10115	37.5
135.08026	6.3
135.11646	9.6
137.09590	6.4
139.88628	2.7
142.07799	3.7
143.08557	7.1
145.06511	2.9
145.10121	21.4
147.08052	8.7
147.11673	32.7
149.02324	7.0
149.09624	22.8
149.13210	5.0
151.11211	3.8
155.08563	4.8
157.10104	17.9
159.11656	11.1
161.09547	5.1
161.13240	5.1
163.11176	11.8
165.09111	2.6
165.12730	8.8
169.10097	4.0
171.11690	6.2
173.13252	6.5
175.11165	11.2
177.12756	5.8
183.11674	6.2
185.13261	4.5
187.11195	3.4
189.11215	8.2
193.04955	4.2
193.12196	35.2
195.13661	2.8
197.13284	3.6
199.14693	3.8
211.13261	36.7
219.13716	3.1
223.13301	4.1
227.12741	9.4
229.14186	3.9
229.19586	3.7
239.17772	4.4
247.20512	4.7
257.18961	7.9
267.15887	22.7
269.17401	5.1
273.18701	4.2
275.20032	67.2
285.16837	15.7
291.19516	5.3
293.21005	12.0
301.21533	4.6
349.23709	26.5
449.30075	3.9
451.52228	3.0
461.28973	4.4
467.31537	5.0
479.29880	7.8
485.32327	3.8
541.35339	13.2
559.36151	29.2
577.09631	27.1
577.37347	36.9
578.10315	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
55.01860	16.7
55.05508	38.3
57.03424	12.6
57.25531	3.6
58.71997	3.3
65.48983	3.2
67.05502	74.4
69.03411	6.9
69.07072	31.1
71.04977	6.8
71.52957	4.9
79.05490	58.3
81.03418	39.4
81.07055	100.0
83.04982	21.2
83.08617	26.4
85.02911	19.3
85.06559	4.5
90.08746	3.6
90.42592	3.1
91.05464	63.4
93.07036	53.1
95.04977	32.6
95.08591	44.9
97.02909	5.6
97.06525	22.7
97.10175	18.8
105.07030	60.4
107.04962	20.9
107.08599	34.6
107.16569	3.1
109.06533	19.0
109.10134	19.6
111.04461	4.5
111.08092	11.5
117.07007	8.0
119.08583	44.9
121.06496	7.2
121.10133	22.8
123.08078	11.9
123.11656	17.7
125.09621	9.9
129.07022	17.6
131.08563	31.2
133.06476	3.6
133.10126	30.1
135.08064	5.7
135.11700	8.4
137.09605	6.9
142.07761	4.2
145.10153	15.6
147.08061	6.4
147.11682	39.2
149.09613	18.9
149.13171	4.1
151.11163	3.4
157.10170	17.0
159.07999	4.3
159.11687	10.4
161.09619	4.9
161.13283	5.0
163.11182	8.0
163.14856	4.5
165.12766	11.5
169.10081	4.4
171.11630	3.5
173.13258	8.2
175.11215	13.5
181.12077	3.4
193.12207	44.4
199.14767	4.4
211.13264	49.4
221.83231	4.0
227.12823	9.4
229.14282	5.1
247.20538	5.2
257.19086	9.7
267.15909	13.7
275.20050	66.2
285.17029	21.0
293.21085	11.4
349.23697	29.4
443.42096	4.4
449.29822	4.9
467.31354	4.1
509.09290	4.0
541.35059	11.0
559.36237	28.7
577.37402	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	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42422	2.3
50.60322	2.4
53.03933	8.9
55.01869	18.2
55.05505	38.3
57.03417	15.0
57.07061	4.4
60.70023	2.2
65.03928	4.9
67.05496	81.2
68.61356	2.8
69.03415	6.0
69.07059	23.2
70.94943	2.3
71.01344	2.7
71.04980	9.5
71.54364	2.8
74.78506	2.4
77.03905	2.3
79.05044	4.5
79.05483	63.0
79.05942	3.2
81.03407	47.7
81.07045	100.0
83.04960	16.1
83.08605	30.6
85.02900	20.0
85.06530	7.3
91.05457	65.5
91.05992	4.1
93.07036	59.2
95.04945	35.1
95.08589	48.9
97.02882	4.5
97.06533	18.2
97.10158	13.9
99.08076	3.7
105.07016	67.7
105.07748	3.8
107.04939	23.4
107.07857	3.0
107.08584	37.8
109.06503	15.3
109.10128	21.1
111.04441	6.2
111.08068	12.5
113.06020	2.9
116.06181	2.4
117.07005	20.3
119.08565	47.1
121.06500	8.6
121.10126	25.9
123.08060	12.8
123.11622	12.3
123.73816	2.6
125.09617	11.4
128.06183	3.6
129.06978	16.2
131.08537	28.5
133.06432	3.7
133.10107	35.1
135.08031	10.9
135.11673	10.9
136.18324	2.2
137.09560	6.1
141.06963	3.2
142.07767	5.0
143.08575	8.9
145.10101	24.9
147.08089	5.1
147.11655	24.1
149.02328	10.1
149.09607	16.1
149.13193	4.1
151.11145	4.9
155.08571	4.7
157.10106	18.7
159.11693	18.4
161.13272	7.3
163.11136	11.7
164.11832	3.3
165.12764	4.2
169.10146	6.3
169.31583	2.6
171.11632	6.2
173.09567	4.0
173.11852	3.1
173.13255	10.5
175.11176	16.5
175.46274	2.4
177.12715	5.6
181.10248	2.8
183.11728	5.8
185.13199	4.3
187.14841	2.8
189.11296	3.3
193.04942	9.5
193.12213	35.3
197.13148	3.6
199.14844	3.3
211.13239	34.2
227.12823	8.1
229.19539	3.2
239.18045	4.3
247.20566	5.4
253.14368	5.0
257.18985	8.2
267.15842	24.2
269.17398	5.4
273.18396	3.6
275.20020	61.1
283.15436	2.5
285.16910	21.3
291.19534	4.4
293.20990	6.1
349.23724	24.0
421.25854	2.8
449.30508	4.3
467.31393	8.2
541.35126	12.9
547.36780	2.9
547.83289	2.6
559.28412	3.5
559.36200	35.5
577.09662	6.0
577.37567	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92200	2.7
53.03928	3.7
55.05500	37.3
56.97446	2.6
57.03416	10.0
57.67043	2.4
59.04992	2.9
67.05492	76.2
69.07056	26.7
69.85774	7.4
69.86207	9.8
71.04984	19.5
79.05486	52.8
81.03403	20.6
81.07043	100.0
83.04970	7.1
83.08602	20.8
85.06526	11.6
87.04476	3.7
91.05466	52.5
93.07034	62.0
95.04943	14.5
95.08590	55.6
97.06516	9.3
97.10139	18.3
103.05451	3.2
105.07016	47.0
107.04926	3.9
107.08575	39.3
109.06514	5.3
109.10149	30.1
117.06995	22.8
119.08556	34.1
121.06458	2.9
121.10122	26.7
123.08041	6.9
123.11717	10.1
125.09667	13.5
129.06990	13.7
129.33002	2.7
131.08560	32.2
131.47197	2.6
133.06465	3.7
133.08557	3.1
133.10124	26.2
134.09610	2.8
135.08038	5.9
135.11693	15.8
137.13239	5.7
139.11108	5.6
143.08554	12.8
145.10106	30.5
147.11652	23.8
149.09615	7.0
149.13225	8.6
155.08560	6.6
157.10120	14.1
158.17142	2.8
159.11639	21.6
161.13219	10.0
163.11288	3.9
163.14775	4.0
165.12772	4.8
169.10159	6.8
171.11703	10.2
173.13284	18.0
175.11273	3.6
175.14717	5.2
181.10086	3.7
183.11658	8.2
185.13242	8.3
187.14810	6.2
189.11192	7.0
189.16403	2.9
193.12244	8.1
195.11690	3.5
197.13527	3.7
199.14850	4.4
201.12750	3.5
211.14861	4.6
213.16371	6.4
224.65398	2.8
227.12776	9.9
239.16295	3.4
259.20657	4.0
260.05902	2.9
261.22125	7.5
267.15833	17.8
285.18533	2.8
287.19943	2.6
287.23596	5.1
289.21463	6.2
301.25198	10.5
305.24728	3.3
315.22961	3.2
335.22662	2.5
335.25858	21.3
359.25034	3.2
363.25275	6.4
373.27866	3.6
417.31253	4.4
435.27048	3.8
435.32498	14.4
453.33456	11.4
471.34607	8.6
501.35770	3.0
527.37250	59.6
528.37708	3.8
545.38397	53.8
546.38855	3.4
559.40192	14.0
577.40759	12.3
594.42255	2.9
600.40179	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	577.409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25471	2.7
51.95298	2.8
53.03931	7.3
53.43539	2.7
54.64982	3.0
55.01853	5.5
55.05258	3.8
55.05501	42.8
55.44223	2.7
57.03427	14.3
57.07067	6.9
65.03923	7.5
66.39664	2.8
67.05493	99.2
69.03425	5.1
69.07063	28.6
69.87583	6.4
69.87992	15.9
71.04985	21.4
72.66232	2.8
77.03930	3.0
79.05477	68.5
81.03409	25.7
81.07045	100.0
83.04961	11.5
83.08602	23.5
85.06528	12.5
90.65693	3.0
91.05460	58.7
93.06462	5.5
93.07025	76.7
95.04933	14.8
95.08587	73.2
97.06504	15.1
97.10155	21.3
99.08056	3.9
102.80519	2.6
105.07016	55.8
107.04943	4.5
107.08566	46.4
109.10130	39.0
111.08052	6.2
115.05388	3.5
117.06997	24.8
119.08566	48.6
121.06492	6.0
121.10118	31.2
123.08035	8.3
123.11670	10.7
123.13529	2.7
125.09620	15.3
126.05052	2.7
128.06172	5.2
129.06960	16.3
131.08549	35.9
133.10118	32.9
135.08044	3.9
135.11652	17.6
137.09570	3.5
141.06941	5.7
142.07669	3.2
143.08545	13.5
145.10092	31.6
147.07985	4.4
147.11670	28.4
149.09602	6.4
149.13200	9.1
155.08517	10.5
157.10138	15.9
157.11317	2.6
159.11658	20.5
161.13196	12.6
163.14769	4.9
167.10715	3.1
169.10110	11.4
171.11688	13.9
173.13176	15.0
175.11124	3.7
175.14799	4.8
181.10013	4.2
183.11673	8.7
185.13251	5.6
187.14854	4.3
189.11162	11.8
193.12216	9.5
195.13945	4.4
197.13231	6.6
199.14822	6.1
211.14894	4.7
227.12682	21.9
239.16393	3.3
243.21103	3.9
259.20508	7.0
261.22058	10.0
267.15839	30.5
287.23688	6.1
289.21558	8.4
301.19925	3.5
301.25162	14.9
303.23111	6.3
333.24243	4.9
335.25958	18.7
359.25696	4.4
363.25183	8.9
417.31406	6.9
435.27176	5.3
435.32346	22.9
453.33768	17.6
471.34500	13.4
509.35953	7.0
527.37244	82.2
528.37451	4.9
541.38519	3.4
545.38220	65.3
546.38428	5.1
559.39435	12.6
577.41010	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63572	2.8
53.03929	7.6
55.01856	8.0
55.05508	42.6
57.03433	18.5
57.07075	4.9
59.25444	2.8
63.00050	2.4
65.03936	5.5
67.05499	88.9
69.03424	4.5
69.07063	32.7
70.68868	5.3
71.04984	16.6
79.05486	63.5
81.03410	24.2
81.07051	100.0
83.04975	11.1
83.08610	24.4
84.00500	2.5
85.06530	8.3
91.05469	72.7
93.07032	73.1
94.51928	2.5
95.04965	14.9
95.08596	63.8
96.08945	2.7
97.06527	9.0
97.10169	16.2
105.07026	63.6
107.04942	6.0
107.08578	42.0
109.06548	5.9
109.10149	30.0
111.08085	7.4
115.05470	2.8
117.07024	21.6
119.08565	50.4
121.06500	6.8
121.10129	30.6
123.08061	6.3
123.11681	8.7
125.09632	14.3
128.06242	3.5
129.07001	15.9
131.08563	37.8
133.06541	4.7
133.10132	33.3
135.08064	9.5
135.11674	21.4
137.09592	5.3
137.13277	5.0
141.06915	3.4
143.08559	16.6
145.10114	28.6
147.08029	4.4
147.11684	23.5
149.09627	7.6
149.13271	10.9
151.11188	6.2
153.09140	3.0
155.08543	7.0
157.10124	14.6
159.11722	15.8
161.09637	4.2
161.13275	14.4
163.11220	4.7
163.14732	3.2
169.10086	6.8
171.11703	7.8
173.11894	2.7
173.13303	14.4
175.11163	6.4
175.14822	5.6
177.12787	3.3
183.11707	7.6
185.13290	9.9
187.14838	7.0
189.11302	12.6
189.12720	4.1
193.12250	8.4
195.11790	6.8
195.13727	4.1
197.13365	5.5
199.14874	4.8
201.14832	3.7
209.13327	3.6
211.14877	4.2
227.12878	15.2
239.16272	3.7
243.21107	5.7
259.20688	5.4
261.22147	12.2
267.15918	23.1
269.17538	3.5
285.22266	4.2
287.23837	3.8
289.21564	7.5
301.25284	13.5
303.23068	4.1
333.24225	3.3
335.25757	11.4
343.22733	3.5
363.25363	4.1
417.31403	6.6
435.32639	13.6
453.33530	14.0
471.34482	8.6
509.35925	5.1
527.37341	55.7
541.36273	3.0
545.38251	55.1
559.36688	4.3
577.40308	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	579.1495
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02363	1.0
55.01837	1.6
58.47327	0.6
65.03944	0.7
67.05487	1.8
68.99774	3.5
69.03390	0.7
69.67780	3.3
70.84070	0.6
77.03912	0.8
79.05484	1.4
81.03413	1.4
81.07063	0.7
85.02874	2.6
87.04522	0.6
89.03927	1.2
91.05456	2.6
93.03391	0.7
95.04978	3.0
97.02867	1.1
98.21471	1.1
101.24628	0.6
105.03368	1.6
105.04512	0.7
105.06995	1.0
107.04962	3.7
109.02856	1.9
111.00793	1.9
111.04411	1.8
115.05453	0.6
119.04940	5.4
119.31701	0.5
121.02844	1.1
121.06646	0.6
123.04413	100.0
124.04781	0.9
127.03902	31.1
131.04901	1.1
135.04399	20.0
137.02319	4.1
137.05937	1.3
139.03883	32.3
141.06958	1.0
143.04922	0.9
145.06482	1.9
147.04382	15.9
147.05504	1.1
149.02338	2.5
149.05962	2.0
151.03860	6.5
153.06926	1.0
159.04402	2.6
161.05954	5.5
162.90843	0.6
163.02518	1.4
163.03882	27.5
164.04532	1.0
165.05481	9.5
167.03452	2.6
173.05942	3.1
173.36189	0.6
175.03862	2.5
177.05472	4.7
179.03354	7.5
179.07057	1.2
181.04883	2.7
181.06438	1.2
185.05960	2.4
187.03860	4.4
187.07506	1.2
189.05421	4.3
191.03345	7.4
193.04929	7.7
197.05968	1.8
199.07582	0.7
201.05435	5.0
203.03366	12.8
203.07002	1.3
205.04961	2.0
207.06529	1.6
209.05983	0.7
211.04008	0.8
213.05402	4.0
215.03456	1.6
215.06943	1.4
217.04976	4.6
229.04913	8.1
231.06552	3.1
231.08716	0.7
233.04453	2.2
237.05368	1.0
241.05075	3.0
243.06468	2.8
245.04417	16.4
247.05989	19.2
247.08414	1.2
253.04994	1.0
255.06476	3.9
257.04419	21.4
257.07053	1.2
258.05270	3.2
259.05933	3.6
260.92850	0.6
269.04410	2.4
271.05957	10.8
273.07364	2.9
275.05453	16.2
283.05981	9.4
285.07605	3.5
287.05457	42.5
288.05649	0.7
289.07062	4.6
291.08557	9.7
295.05988	1.3
299.05453	8.3
301.07001	15.2
303.08591	3.7
311.05685	0.7
313.07013	3.1
333.09604	1.4
391.07983	0.8
409.09137	36.1
411.10699	1.9
417.09714	0.9
421.09128	2.3
424.41391	0.7
427.10272	4.9
433.11060	1.7
435.10721	11.2
439.10382	4.2
451.10431	0.7
453.11984	3.5
561.13660	1.4
579.14917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
68.99784	3.8
70.78352	1.6
79.05466	0.8
81.03391	2.6
89.03892	1.5
91.05474	0.8
93.03394	0.8
95.04964	1.6
99.04430	1.4
103.05445	0.8
107.04948	3.3
109.02861	3.1
111.00771	1.6
111.04427	2.8
116.68333	0.6
117.03368	1.2
119.04874	1.7
121.02864	1.7
123.04414	34.4
124.04837	0.7
127.03902	100.0
130.01886	0.6
131.04892	2.0
135.04391	27.3
137.02333	2.5
139.03883	42.7
141.06940	1.3
145.02898	1.0
147.04375	5.9
149.02324	4.1
149.05983	1.8
151.03885	6.8
155.04889	0.9
159.04390	2.7
161.05974	2.5
163.03885	38.9
164.04196	0.9
165.05452	4.8
167.03398	6.4
169.06479	1.6
173.05940	3.4
175.03947	3.0
177.05479	3.5
179.03415	2.6
181.04924	0.7
185.06010	1.6
186.57103	0.6
187.03862	6.5
189.05470	1.8
191.03380	9.7
193.04942	3.8
197.05992	3.3
201.05455	5.8
203.03383	9.3
203.07072	2.0
205.05006	1.9
207.06490	1.1
213.05414	2.1
215.03444	1.5
215.06955	1.5
217.04994	1.4
225.05556	1.6
229.04912	5.3
231.06465	1.6
233.04489	4.9
237.05446	0.7
241.04985	0.9
243.06535	5.0
245.04463	4.8
247.06000	13.6
251.05547	1.3
255.06493	1.2
257.04431	9.6
259.06027	8.7
269.04477	2.2
271.05969	17.7
271.08765	1.1
275.05463	16.6
282.90042	0.7
283.05988	6.0
287.05463	19.1
288.05869	0.9
289.07050	10.2
291.08575	10.4
297.07446	1.1
299.05505	3.7
301.07047	10.8
303.08612	2.5
409.03632	1.2
409.09146	21.0
411.10696	2.2
421.09180	1.2
427.10275	5.9
435.10577	0.9
439.10049	1.0
452.57172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1492
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02370	1.2
55.01855	1.5
64.57379	0.9
67.01864	0.9
68.99776	5.8
69.03391	1.1
81.03396	2.8
83.04957	1.1
89.03911	1.9
91.05474	1.1
94.39268	0.9
95.04967	2.4
99.04439	1.5
106.50475	0.8
107.04937	4.0
109.02869	2.3
111.00769	1.5
111.04425	3.4
117.03419	1.3
119.04941	2.5
121.02862	2.2
122.65180	0.8
123.04416	59.2
127.03902	100.0
129.73778	0.9
131.04877	1.6
135.04410	28.5
137.02322	6.0
137.03326	1.6
139.03886	68.8
143.04929	1.3
145.02785	1.5
147.04395	9.3
149.02339	6.1
149.05975	2.7
151.03888	15.1
153.07022	0.9
155.04900	1.3
159.04367	3.4
161.05949	5.0
163.03886	50.6
165.05429	8.3
167.03395	10.6
169.06404	2.1
171.04375	1.2
173.05974	2.9
175.03870	5.4
177.05522	4.2
179.03372	7.0
183.04366	1.4
187.03825	6.1
187.07410	1.2
189.05397	3.7
191.03369	16.2
193.04909	4.1
197.05963	3.8
201.05441	7.0
203.03404	11.1
203.07042	1.7
205.04921	4.9
213.05389	2.1
215.03384	1.9
215.06943	2.1
217.04895	2.9
225.05487	1.2
227.03496	1.0
229.04889	7.7
231.06526	2.6
233.04433	7.6
241.04936	1.7
243.06465	4.9
245.04488	9.9
247.06015	26.0
251.05418	2.3
255.06456	2.9
257.04431	16.4
258.05179	1.9
259.05972	14.4
269.04379	2.7
271.05972	21.6
273.07663	2.6
275.05469	24.0
283.05960	8.7
285.07471	1.7
287.05463	32.0
289.07034	12.2
289.28827	0.9
291.08618	12.4
295.06165	1.2
299.05466	5.4
301.07053	22.2
303.08740	6.1
391.07913	1.5
409.09164	35.0
410.09460	0.9
411.10706	2.0
417.11200	1.2
421.09299	2.7
427.10184	6.5
431.39862	1.0
435.10834	1.5
439.10236	1.5
520.80145	1.1
583.65399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	CHEBI:68336
Peak:m/z	Relative Intensity
51.02376	1.1
53.03936	0.7
55.01868	2.9
56.05367	0.6
58.92603	0.6
63.00793	0.6
65.03938	1.5
67.01862	0.7
67.05474	1.0
68.99780	2.6
69.03416	1.2
71.56001	1.3
77.03924	1.2
79.77623	0.7
83.04976	1.1
89.03905	1.0
91.05420	1.0
93.03396	1.2
95.04932	2.2
97.02852	1.8
105.03345	1.6
107.04944	2.3
109.02833	0.8
111.00790	1.3
111.04446	4.0
115.05456	2.0
117.06992	0.9
119.04935	5.1
121.02827	2.2
123.04416	79.1
127.03899	20.6
131.04872	1.1
133.06485	0.8
135.04410	9.4
137.02289	1.9
137.05992	1.0
139.03883	100.0
140.04201	1.1
141.06976	1.2
143.04941	2.2
144.08066	11.0
145.02866	1.1
145.06473	1.7
147.04391	16.2
149.02377	1.6
149.05936	0.7
151.03856	8.4
153.05460	3.5
153.06606	0.7
155.04947	0.8
157.06465	2.8
159.04395	2.4
161.05952	11.2
161.10718	1.2
163.03888	68.5
164.04170	1.1
165.05475	8.3
167.03403	2.7
169.06470	3.5
171.04398	2.8
173.05963	3.2
175.03922	3.3
175.07526	1.3
177.05449	4.1
179.03387	2.3
179.07072	0.9
180.33104	0.7
181.04953	2.6
181.06371	1.3
183.04436	1.1
185.05951	3.7
187.03867	3.9
187.07576	1.2
189.05437	4.7
191.03439	2.8
193.04901	1.8
197.05971	6.3
201.05467	7.1
203.03381	3.7
203.06989	0.8
205.04959	3.2
207.06587	1.3
209.05928	1.3
211.03856	0.8
213.05438	6.2
215.03375	1.2
215.07001	2.3
217.04993	3.6
219.03053	0.8
225.05396	6.6
227.06920	1.2
229.04953	8.1
230.05759	1.1
231.06487	4.3
233.04419	2.0
236.32233	0.7
237.05486	2.0
241.04941	10.1
243.06491	9.6
245.04419	4.4
247.06003	18.6
253.04915	3.4
255.06451	2.7
257.04330	5.4
259.05991	40.4
260.06207	1.2
265.04849	1.5
269.04520	2.2
271.05963	20.5
271.08200	0.9
275.05460	8.2
283.06024	6.0
287.05447	11.2
289.07019	22.7
291.08676	2.9
299.05444	1.9
301.06973	11.2
313.06982	1.6
365.10498	0.9
375.08453	2.4
381.09552	0.9
391.08057	2.3
393.09543	6.6
405.09531	2.4
409.09125	35.9
411.10739	2.6
417.10016	2.6
421.09149	2.1
423.10605	5.6
427.10193	6.7
433.09055	0.9
435.11026	2.0
439.10211	1.7
441.11722	5.5
453.11411	0.9
543.12671	3.0
596.26624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
56.96555	1.3
57.64102	0.6
65.03941	1.3
67.01862	0.8
67.05503	0.8
68.99784	4.3
69.03418	1.3
69.88931	1.6
69.89347	2.1
73.02912	1.5
81.03407	3.1
85.02886	3.1
89.03898	1.9
95.04952	1.6
97.02878	1.7
98.97580	2.2
99.04450	1.4
103.05462	0.9
105.03368	0.8
107.04932	2.4
109.02858	4.2
111.00808	1.9
111.04434	2.8
116.98611	0.8
117.03410	1.6
118.64669	0.7
119.04920	2.0
121.02834	1.2
123.04412	44.9
127.03903	100.0
128.04199	1.3
130.34732	0.6
131.04924	1.8
135.04404	27.8
137.02319	5.0
137.05904	0.9
139.03888	53.7
141.06993	1.0
143.04941	1.0
145.02852	1.9
145.04893	1.2
145.06522	0.8
147.04378	8.0
149.02356	3.8
149.05977	1.9
151.03889	10.3
155.04877	1.1
159.04436	2.7
161.01201	0.8
161.06006	3.8
163.03894	44.0
164.04280	2.0
165.01950	0.7
165.05460	6.1
167.03383	6.7
169.05110	0.7
169.06464	0.9
173.05933	3.4
175.03909	3.3
177.00626	0.7
177.05463	3.9
179.03369	4.3
183.04419	0.8
185.05945	1.4
187.03865	4.7
189.05482	2.3
191.03391	12.0
193.04959	3.9
197.05930	3.7
201.05452	6.8
203.03372	10.0
203.07005	1.5
205.04942	3.4
207.06512	1.7
213.05556	1.5
215.03479	0.8
215.07033	2.6
217.05043	1.1
219.01608	0.9
222.51871	0.7
225.05440	2.1
227.06827	0.9
229.04935	7.2
231.06493	2.4
233.04401	5.6
237.02763	1.1
241.04845	1.5
243.06532	4.6
245.04475	8.3
247.06024	19.8
251.05521	1.6
253.04863	1.2
255.06445	1.9
257.04391	11.3
258.05222	0.8
259.05975	12.2
269.04391	2.9
271.05994	22.3
272.06595	1.1
273.07516	0.9
275.05460	17.6
283.05927	7.4
285.07584	0.9
287.05475	22.0
289.07037	11.3
291.08667	11.4
299.05600	4.0
301.07028	14.5
303.08649	3.5
311.05292	0.7
379.08264	0.8
409.09140	26.4
411.10706	2.3
417.11685	8.2
421.09171	1.7
427.10260	4.9
435.10736	1.4
439.10440	1.7
579.16882	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	579.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73085	3.1
54.34734	3.1
55.01857	8.9
58.67796	3.3
62.33055	3.2
65.03941	4.2
68.99777	8.7
70.06564	4.1
71.56786	4.5
71.57178	6.0
79.05468	5.3
81.03407	12.5
84.61063	3.5
85.02900	13.2
89.03960	4.2
91.05466	10.2
93.03411	11.8
94.66451	3.5
95.04984	6.2
97.02892	13.8
103.03917	3.8
103.05433	4.8
107.04949	24.9
109.02866	12.0
111.00819	4.2
111.04447	9.8
112.81445	4.1
115.05454	6.0
117.03394	3.8
117.06995	5.8
119.04924	14.5
121.02854	26.3
121.06543	7.0
123.04432	68.1
127.03911	76.9
131.04910	8.4
133.06487	5.7
135.04405	45.2
137.02299	5.1
139.03911	46.0
144.08073	57.3
145.06497	10.3
147.04391	37.3
147.08043	3.7
149.02338	7.0
149.05989	7.3
151.03934	11.0
153.01842	4.3
157.06549	4.0
159.04407	7.3
159.09137	5.7
161.02365	5.4
161.06013	9.9
161.10709	8.7
163.03893	55.7
165.01785	8.0
165.05490	5.7
167.03400	7.6
173.05969	14.8
175.03888	9.8
175.07574	4.8
177.01845	13.3
177.05492	11.4
179.03413	6.4
183.02875	3.7
187.03905	16.8
189.01820	18.2
189.05447	10.2
191.03416	20.1
193.05040	6.1
195.02910	29.0
197.06020	4.9
201.01793	6.2
201.05479	25.4
203.03410	27.9
205.01289	5.0
205.04922	7.3
207.02852	34.7
213.05429	7.2
215.03421	16.6
215.07129	5.3
217.04922	8.5
219.02879	82.4
221.00890	5.4
221.04523	11.3
223.02290	6.7
225.03935	10.1
227.03346	8.1
229.05011	24.6
231.02885	43.3
233.04433	31.6
243.02910	30.5
243.06593	9.0
245.04369	17.3
247.06062	18.4
249.03946	29.7
255.02925	7.8
255.06383	13.2
257.04410	30.1
259.06015	9.0
261.03958	100.0
269.04517	13.1
271.05942	25.9
273.03894	33.7
275.05365	20.7
281.04584	7.0
283.06000	10.4
285.03961	64.9
287.05441	28.8
289.07089	7.9
291.05014	17.9
291.08624	8.9
295.06186	4.5
297.03986	15.6
297.07559	11.5
299.05679	17.6
301.07083	11.6
303.04984	26.3
303.08203	3.8
309.03842	9.0
309.07291	6.4
311.05487	4.5
315.04919	13.4
321.06055	20.3
327.05023	57.9
327.08615	10.7
339.08362	35.3
345.06079	12.2
351.08755	23.0
357.06094	16.8
363.07074	59.9
369.06155	8.3
375.07169	5.5
381.09671	42.8
387.07211	8.2
393.08893	23.2
405.08417	43.2
409.09125	31.9
411.10611	18.9
417.11517	40.3
423.09470	30.5
427.10211	8.0
429.11798	38.9
435.10852	5.8
441.10638	42.5
447.10709	33.4
459.12842	30.4
465.11703	10.2
477.11627	7.6
483.12686	22.8
489.11694	7.7
495.12961	19.6
507.12650	12.5
525.13611	15.7
543.14801	17.6
579.09558	8.9
579.18408	25.5
587.37579	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	579.2192
Annotation	ES-242-4
Peak:m/z	Relative Intensity
58.08344	0.3
60.65731	0.3
69.03382	0.3
69.70414	0.9
69.70837	1.0
70.06588	0.3
71.04984	0.4
72.59926	0.3
75.08228	0.3
80.51821	0.2
81.07026	0.6
85.02898	0.5
88.74765	0.2
91.05425	0.3
108.02072	0.3
110.77888	0.2
120.29563	0.3
127.03875	0.4
131.04883	0.5
137.05971	0.9
151.03862	0.3
151.07535	0.3
163.03835	0.8
167.07048	0.5
175.03677	0.4
191.06999	0.5
204.07555	0.4
319.04468	1.0
349.10419	0.5
352.12802	1.2
364.12613	0.6
367.11609	0.3
382.13724	0.9
531.19604	0.4
547.19556	0.6
549.20618	1.5
561.20020	0.5
579.21912	100.0
580.22217	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	579.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.4
53.53997	1.6
55.01859	5.0
55.05505	17.5
57.03420	8.0
57.07059	3.9
59.04979	1.5
59.06138	1.9
65.03912	2.1
67.05496	88.6
69.03419	6.6
69.07056	17.1
70.05448	4.5
70.05847	3.6
71.01366	2.1
71.04984	3.1
71.08630	2.3
73.02914	3.2
79.05480	43.3
81.03394	5.4
81.07045	93.7
83.04974	6.1
83.08620	10.9
85.02896	5.8
85.06544	2.1
91.04963	2.2
91.05476	29.9
93.06564	1.2
93.07027	58.8
95.04940	6.2
95.08592	60.5
97.02866	3.1
97.06518	4.8
97.10170	8.3
98.98439	7.3
99.04457	3.2
99.08108	2.6
105.07014	26.6
107.04926	2.2
107.08580	43.2
109.02889	8.4
109.06513	4.4
109.09439	3.3
109.10147	41.3
109.10892	2.5
110.03620	3.7
111.04428	3.7
111.08069	4.7
113.09618	1.9
117.06994	14.0
119.08543	23.5
121.10126	42.3
123.04491	2.3
123.08070	3.0
123.11713	18.6
125.09623	4.3
127.03886	5.7
131.08548	25.0
133.06447	2.6
133.10123	24.6
135.08038	1.9
135.11659	30.8
137.05956	5.6
137.09575	3.6
137.13239	6.4
139.11121	2.7
143.08531	4.0
145.10104	18.8
147.08057	3.2
147.11662	18.8
149.09605	5.0
149.13237	15.9
151.11124	3.5
153.12737	2.0
155.01039	5.4
157.10031	4.1
159.11676	18.5
161.09648	2.1
161.13246	12.9
163.11137	2.6
163.14748	10.8
167.10672	2.1
169.10077	2.0
171.11638	4.5
173.11826	3.3
173.13194	18.0
175.11174	1.9
175.14816	4.8
177.12651	3.1
177.16364	4.3
179.14232	2.7
184.59734	1.8
185.13272	2.8
187.14729	8.5
189.12764	2.3
191.00110	2.5
193.04869	2.5
199.14845	3.3
205.15889	2.7
209.11694	5.3
229.14243	2.6
233.22598	4.0
243.15800	2.2
243.21059	25.7
255.02354	1.7
260.47845	1.8
261.22101	100.0
263.23544	3.3
273.21844	2.9
277.21521	2.5
279.23068	4.4
280.33795	1.8
283.15289	3.3
301.21719	2.7
303.23206	6.6
315.23264	2.9
333.24307	2.1
335.25754	20.2
337.27444	2.9
339.27521	2.5
353.26822	69.2
369.24213	4.6
377.26724	3.9
420.04410	2.0
423.32376	1.8
451.21271	2.4
451.31680	4.0
459.06888	5.6
469.33115	2.3
487.34027	2.0
489.11618	3.4
525.35724	3.0
531.05219	3.3
543.36322	8.1
561.10065	2.4
561.27039	5.7
561.37390	10.6
579.11292	45.9
579.38507	5.1
580.11475	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	579.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01856	4.3
55.05505	17.7
57.03438	6.3
57.07069	7.1
65.03928	4.4
67.05495	83.8
69.03419	4.5
69.07053	16.3
69.41988	12.6
71.04975	3.6
71.08617	2.7
73.02908	3.0
77.94689	1.5
79.05483	41.9
79.05952	2.2
81.03405	9.0
81.07046	92.3
83.04970	6.0
83.08617	8.2
83.22282	1.3
84.33832	1.3
85.02908	5.1
85.06538	1.6
85.59132	1.5
91.05463	27.9
91.05990	1.8
93.07029	59.7
95.04938	6.3
95.08592	66.3
97.02905	2.5
97.06542	5.3
97.10138	6.6
98.98431	6.3
99.04429	3.0
99.08089	3.6
105.07019	24.9
107.04927	2.7
107.08574	45.3
109.02869	11.1
109.06498	3.6
109.10146	45.1
110.03616	2.6
111.04442	3.8
111.08060	2.6
117.06989	12.7
119.08574	21.7
120.19654	1.3
121.06479	1.4
121.10126	36.8
123.08038	1.9
123.11699	20.5
125.09616	3.8
127.03941	4.8
129.07031	3.7
131.08556	26.9
132.99513	1.7
133.10107	17.4
135.08066	2.6
135.11679	26.7
137.09639	2.4
137.13232	7.9
139.11151	2.7
143.08560	2.6
145.10094	19.7
147.11655	12.9
149.09569	4.2
149.13239	18.9
151.11214	2.4
151.14836	4.0
153.12799	1.7
155.01042	6.9
157.10109	3.1
159.11682	15.9
161.09657	1.9
161.13255	12.6
163.11206	4.2
163.14818	8.4
165.12769	2.3
169.10201	1.7
171.11674	2.0
173.11751	3.1
173.13245	12.1
175.14838	3.9
177.12868	1.7
177.16396	5.0
179.14349	2.2
185.13242	2.6
187.11159	1.4
187.14796	11.8
189.16457	1.6
191.00159	2.5
191.10727	1.9
191.14398	1.4
193.12106	1.6
193.56964	1.3
201.16409	4.1
205.15852	1.6
209.11639	2.2
215.17958	1.8
219.17433	1.7
223.16985	1.5
227.12817	2.5
229.14389	2.7
233.22694	3.2
243.21051	28.7
243.23306	2.3
245.22758	2.5
259.20566	2.8
261.22110	100.0
263.23700	4.1
275.23779	1.5
277.21594	2.7
279.23209	4.5
283.15552	1.7
301.16415	1.7
301.21866	1.9
303.23239	4.4
317.24753	3.6
335.25751	23.9
337.27405	5.4
353.26819	69.1
355.99490	1.3
369.24139	3.2
377.27209	2.0
417.06821	1.5
420.04800	3.2
421.86017	1.8
443.27686	4.0
450.09555	2.9
451.21732	2.2
451.32516	1.3
459.07214	5.6
469.33191	2.3
487.23920	1.5
489.11850	3.5
489.35672	3.6
505.07703	2.0
507.24106	1.8
519.10217	1.6
531.05402	2.3
543.36835	6.4
549.06677	2.9
561.10181	1.9
561.27264	4.8
561.37732	7.0
579.11249	46.1
579.38226	4.3
580.11584	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	581.149
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03434	3.2
59.06116	1.0
61.02920	1.9
62.02047	0.6
63.67567	0.6
69.03417	2.6
69.93000	3.5
70.06583	1.8
71.01352	0.7
73.02911	6.0
81.03417	0.8
85.02895	5.5
85.07648	2.4
87.46075	0.6
97.02855	5.5
98.21397	0.8
99.13607	0.6
100.43706	0.7
111.09195	0.7
113.03247	0.6
115.03942	1.7
121.02856	3.3
127.03906	1.3
128.11842	4.4
134.40797	0.7
137.02312	0.9
145.04953	0.7
153.01778	3.9
158.13545	0.6
165.01833	1.8
185.05975	0.9
213.05473	1.3
230.14845	0.6
258.05215	1.0
287.05472	100.0
288.05801	1.6
299.05545	3.0
325.06976	0.9
329.06470	3.0
340.98618	0.9
353.06415	2.1
413.08392	0.8
449.10983	1.5
449.40500	0.7
491.29034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.7
61.02916	1.0
68.99800	0.5
69.03421	2.4
69.60075	1.0
69.60476	3.4
71.01330	0.5
71.04985	8.8
73.02908	7.1
75.04440	0.5
83.04974	3.3
85.02422	0.9
85.02898	13.0
92.10453	0.6
97.02881	4.4
98.21497	1.0
111.04409	3.4
115.03918	1.9
121.02789	0.7
121.91438	0.5
129.05453	4.1
137.02315	1.9
153.01788	2.5
163.03856	0.6
165.01801	1.4
201.05411	1.3
225.07396	0.5
229.04930	2.5
247.05838	0.6
257.04382	2.6
258.32608	0.5
273.07291	0.6
274.04706	0.7
285.04071	1.1
287.05515	1.4
303.04959	100.0
304.05289	1.6
345.05917	2.0
413.08502	0.9
449.10730	1.9
489.92245	0.5
510.82651	0.6
516.08087	0.6
537.15204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03434	5.7
61.02916	1.0
68.99800	0.5
69.03421	2.4
69.60075	1.0
69.60476	3.4
71.01330	0.5
71.04985	8.8
73.02908	7.1
75.04440	0.5
83.04974	3.3
85.02422	0.9
85.02898	13.0
92.10453	0.6
97.02881	4.4
98.21497	1.0
111.04409	3.4
115.03918	1.9
121.02789	0.7
121.91438	0.5
129.05453	4.1
137.02315	1.9
153.01788	2.5
163.03856	0.6
165.01801	1.4
201.05411	1.3
225.07396	0.5
229.04930	2.5
247.05838	0.6
257.04382	2.6
258.32608	0.5
273.07291	0.6
274.04706	0.7
285.04071	1.1
287.05515	1.4
303.04959	100.0
304.05289	1.6
345.05917	2.0
413.08502	0.9
449.10730	1.9
489.92245	0.5
510.82651	0.6
516.08087	0.6
537.15204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1495
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
50.23967	0.2
55.01860	0.4
55.11200	0.2
57.03414	0.3
61.02921	0.5
61.71913	0.2
67.05496	0.5
68.99771	0.4
69.03413	0.6
71.04979	0.5
73.02892	1.0
79.05482	0.6
79.51212	0.2
81.03403	0.5
81.07022	0.6
85.02890	0.7
85.06518	0.4
91.05469	0.5
93.07033	0.7
94.78096	0.2
95.08585	0.5
97.02884	0.4
97.06541	0.5
105.07018	0.4
107.04956	0.3
107.08524	0.3
111.08090	0.3
119.08587	0.4
121.06493	0.4
129.06982	0.3
131.08542	0.3
133.10124	0.4
137.02306	1.9
141.06996	0.2
142.34029	0.2
145.10124	0.3
149.02335	0.6
157.06454	0.6
161.05978	0.4
167.06934	0.2
185.05960	1.0
189.05418	0.6
213.05423	1.9
229.82240	0.2
231.06532	0.9
241.04921	0.9
255.29114	0.2
259.05869	0.3
269.04291	0.4
287.05463	100.0
288.05783	2.2
290.90045	0.3
302.24405	0.3
303.04773	0.3
313.11725	0.3
373.13733	0.3
384.83997	0.2
455.27966	0.4
473.28696	0.7
581.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01858	6.1
55.05287	2.9
55.05509	30.9
57.03418	11.0
59.04997	4.9
65.03933	4.0
67.05499	100.0
68.90574	2.4
69.03421	19.0
69.07059	9.7
71.01332	2.7
71.04976	11.5
79.05491	23.3
81.03413	87.1
81.03895	4.4
81.07055	38.6
83.04971	15.0
83.08603	23.3
85.02896	23.2
85.06532	2.8
91.05461	25.0
91.91940	2.4
93.07033	16.7
95.04961	23.2
95.08590	12.2
97.02880	19.0
97.06503	5.1
97.10160	7.9
99.04426	5.3
99.08084	2.2
102.08714	2.1
105.07033	19.1
107.04955	10.1
107.08596	12.0
109.02863	15.5
109.06530	5.0
109.10150	62.5
111.04410	15.6
111.08082	10.8
117.06992	4.8
119.08595	16.6
121.06458	2.8
121.10136	9.1
123.04406	3.6
125.09635	8.2
127.03895	13.2
129.07011	7.0
131.08557	8.5
133.06551	4.5
133.10120	6.9
135.08084	3.2
135.11702	3.1
137.05930	4.8
137.09624	4.7
142.07748	2.6
145.10104	4.9
147.11661	9.4
149.09605	4.8
153.09071	2.2
155.08589	2.0
155.10632	6.5
157.10115	6.7
163.11200	3.2
165.12724	3.2
173.11687	18.3
175.11150	11.3
189.11209	6.9
189.12776	2.9
191.10704	4.4
193.12221	27.5
211.13272	49.6
227.12865	6.9
229.14339	20.8
244.83830	2.3
245.13760	2.8
267.15997	8.6
273.14890	3.6
285.16998	3.6
299.14810	6.8
301.14249	4.6
337.16400	4.9
355.17456	11.6
393.19470	2.7
421.25800	7.0
439.26715	17.6
505.27948	3.9
547.28918	5.2
558.22937	2.4
565.29797	9.0
583.11261	4.3
583.30988	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.7
52.20660	2.6
53.03934	9.3
55.05500	16.0
55.25359	2.8
57.07077	13.3
59.04986	6.6
65.03937	3.0
67.05495	28.6
69.03415	8.8
69.07067	18.9
69.53604	20.0
79.05473	31.8
81.07055	40.6
83.04975	9.6
83.08598	10.9
85.06544	7.9
91.05472	60.7
93.07030	68.6
95.04970	14.1
95.08588	35.7
97.06519	9.8
101.43304	2.5
103.05456	7.6
105.04514	3.7
105.06297	5.0
105.07016	100.0
107.08577	59.4
109.06513	11.0
109.10139	27.3
111.08095	2.9
115.05445	7.3
116.06316	3.2
117.07005	23.0
118.07868	2.7
119.07700	4.5
119.08565	92.3
121.06538	4.4
121.10131	57.0
123.08041	17.2
123.11706	5.7
125.05990	4.1
128.06195	18.8
129.06955	23.8
130.07779	10.4
131.08556	47.7
133.06517	5.0
133.10118	54.3
135.08061	11.7
135.11649	15.8
137.09605	11.8
141.06960	16.0
142.07758	37.4
143.08542	54.8
144.09344	8.3
145.10092	55.2
147.08035	16.4
147.11681	15.1
149.09616	10.2
151.07523	15.5
151.11157	4.0
153.06995	6.4
155.08559	24.0
156.09309	18.6
157.10107	63.0
158.10884	13.7
159.08069	3.6
159.11679	27.6
161.09644	5.9
161.13251	7.8
163.11201	8.0
165.07045	14.3
165.09111	30.4
166.07800	4.9
167.08577	16.2
167.10657	18.0
168.09320	12.2
169.10080	38.7
170.10876	12.2
171.11667	35.5
173.09612	4.5
173.13225	30.4
175.11220	3.3
175.14839	11.5
179.08536	22.1
180.09352	9.8
181.10092	18.6
181.12285	8.4
182.10962	10.0
183.11710	34.8
184.12459	8.2
185.13237	17.5
187.14781	8.8
189.12775	4.5
191.08592	3.1
191.14317	11.5
192.09344	8.3
193.10115	23.1
193.85814	2.5
194.10815	16.1
195.11694	25.7
196.12471	7.9
197.13246	26.7
199.14824	16.1
201.16415	3.0
203.08589	4.9
203.14291	14.8
205.10161	7.1
206.10887	13.9
207.11719	20.5
207.13634	5.0
208.12509	11.8
209.13235	31.2
210.14017	5.5
211.11229	4.7
211.14771	14.1
213.12724	3.9
215.14311	2.7
217.10204	6.9
217.15900	10.0
218.10901	4.3
219.11705	11.0
220.12473	8.7
221.13258	21.4
221.15405	52.3
221.17313	4.3
222.13969	3.9
223.14764	17.8
225.16359	5.9
227.14206	4.2
231.11693	9.8
232.12460	7.6
233.13313	15.1
233.15332	5.3
234.14104	5.2
235.14819	18.5
237.16479	8.8
239.17923	4.6
245.13280	9.3
246.13980	5.1
247.14804	10.3
248.15608	4.7
249.16382	11.2
251.18007	7.1
252.42957	2.6
257.13351	4.7
257.19019	10.1
259.14828	8.7
260.15640	8.2
261.16333	13.7
263.17987	5.9
265.19571	8.8
266.19968	2.5
269.13455	4.4
269.18985	6.1
273.16339	5.0
275.17789	14.1
277.19757	4.4
281.19131	4.3
283.20456	19.3
287.17764	4.3
289.19440	6.0
295.20743	3.4
300.21103	4.7
329.22739	3.8
331.24234	11.0
335.23419	3.7
349.25400	11.5
357.25748	4.5
375.26941	5.8
403.29913	4.3
491.35226	11.0
503.35040	3.6
527.35278	3.1
547.39215	3.2
565.40314	22.5
583.41498	88.4
604.18237	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01865	1.7
55.05502	17.6
57.07073	15.1
59.04981	3.5
59.14969	1.4
65.03923	4.6
67.05157	2.6
67.05496	32.6
69.03415	10.5
69.07057	18.5
70.79570	4.3
70.79953	1.5
72.32460	1.3
76.25293	1.3
77.03938	2.2
78.59068	1.4
79.05476	28.2
81.07043	36.7
83.04967	8.9
83.08611	7.9
83.09029	1.2
85.06543	8.0
91.05470	57.5
93.07031	63.0
95.04959	16.1
95.08593	41.9
97.06512	7.6
103.05457	4.6
105.07020	93.0
107.04974	2.6
107.08580	54.3
109.06512	11.9
109.10146	22.4
111.08075	4.3
115.05448	7.5
116.06237	3.1
117.07002	23.2
119.08566	97.1
121.06497	5.6
121.10130	51.0
122.07279	2.3
123.08045	21.1
123.11713	7.2
125.05981	4.1
125.09637	3.7
128.06180	14.8
129.06987	21.6
130.07787	11.4
131.08557	42.3
131.09499	3.0
133.06468	2.9
133.07648	2.2
133.10114	43.2
135.08064	13.4
135.11670	14.1
137.05983	1.9
137.09592	11.0
139.07549	1.5
139.11198	2.6
141.06970	10.4
142.07755	27.8
143.08543	52.5
144.09320	10.8
145.06480	2.1
145.10112	55.2
147.08041	19.7
147.11664	17.4
149.09615	6.2
149.13278	4.1
151.07532	22.1
153.06953	3.4
154.07788	4.5
155.08530	23.0
156.09314	21.9
157.10106	65.5
158.10915	9.8
159.08057	3.9
159.11670	29.1
161.09554	6.7
161.13232	11.9
163.11145	9.4
163.14848	1.7
165.07028	10.8
165.09088	36.9
166.07793	3.7
167.08568	14.5
167.10660	13.3
168.09299	8.0
169.10104	39.0
170.10898	11.9
171.11668	41.0
172.12491	2.6
173.09641	4.4
173.13237	25.5
175.11212	4.2
175.14807	10.2
177.09151	2.0
178.07748	1.8
179.08585	14.7
180.09303	8.4
181.10083	17.5
181.12219	6.5
182.10902	12.4
183.11668	30.9
183.13173	2.3
184.12500	5.8
185.09605	2.7
185.13213	21.2
187.11188	4.1
187.14787	10.5
189.12738	5.7
189.16469	2.3
191.08504	3.8
191.14308	10.1
192.09312	6.2
193.10106	15.5
194.10916	16.5
195.11661	28.3
196.12485	7.4
197.13243	26.6
198.14156	2.4
199.11153	2.9
199.14818	20.4
201.12744	3.9
201.16423	3.3
203.08540	3.2
203.14288	17.1
204.09319	2.4
205.10098	8.2
206.10851	9.6
207.11716	25.4
207.13800	10.0
208.12500	10.3
208.14149	1.7
209.13252	32.5
209.15189	2.0
210.14137	3.7
211.11191	2.1
211.14771	14.4
213.12842	2.3
213.16377	3.1
215.14395	3.0
217.10141	4.6
217.15826	7.8
218.10918	4.7
219.11705	10.4
220.12549	7.2
220.51611	1.7
221.13242	19.6
221.15392	81.0
222.14032	4.8
223.11325	2.4
223.14819	16.6
224.15608	3.3
225.12711	3.8
225.16402	6.4
227.14288	1.9
229.10152	2.6
229.15764	2.2
230.10883	3.3
231.11702	7.4
231.17368	2.2
232.12486	5.9
233.13251	15.5
233.15439	6.2
234.14067	4.1
235.14764	16.4
236.15575	2.6
237.12759	1.7
237.16385	8.8
239.14305	1.9
239.17999	4.7
241.15802	2.1
243.11752	4.1
244.12445	4.5
245.13229	10.1
246.14037	4.9
247.14751	12.5
247.16922	2.0
248.15730	3.4
249.16405	11.7
250.17216	3.3
251.18004	6.0
253.15727	1.6
253.19547	3.4
255.17499	2.6
257.13266	4.1
257.19028	8.0
258.14160	2.2
259.14838	6.0
260.15558	7.9
261.16330	10.9
263.17859	9.1
265.15814	1.7
265.19510	8.1
267.17493	2.9
269.19055	4.3
270.13986	2.0
271.14716	2.2
271.20523	1.9
273.16483	4.6
274.17157	2.8
275.17838	14.7
276.18573	2.0
277.19540	5.5
279.21091	2.7
281.18866	1.9
283.20511	16.3
285.16205	3.0
286.19250	2.8
287.17563	2.5
287.20200	4.4
288.18765	2.0
289.19440	3.6
291.21082	2.3
293.18939	2.1
295.20636	5.3
297.16699	1.8
297.22116	4.1
299.20273	3.1
300.20908	2.6
301.19208	3.0
305.22525	2.2
307.20575	2.3
309.22116	2.0
315.21112	2.8
317.22641	1.8
323.23605	1.9
329.22464	1.8
331.24252	5.7
333.22537	2.3
335.23666	3.2
347.23666	2.1
349.25314	8.1
357.25797	2.5
361.25177	2.4
365.24899	3.2
375.26904	8.1
385.29288	1.7
403.29852	7.5
419.29370	1.6
462.45267	1.7
491.35144	4.7
503.35196	5.2
547.39679	2.8
565.40308	27.2
583.41394	100.0
584.41907	1.6
612.40466	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01858	2.9
55.05503	22.6
57.03423	2.2
57.07072	14.7
59.04991	6.5
64.63629	2.0
65.03945	5.0
67.05487	25.8
69.03410	12.6
69.07064	19.1
70.64453	2.4
71.58810	2.1
71.94839	1.9
79.05476	32.6
81.07045	39.7
83.04958	6.7
83.08598	11.6
85.06534	9.0
91.05466	57.4
93.07030	64.3
95.04963	15.3
95.08600	41.1
97.06512	6.3
98.21535	3.9
103.05445	6.7
105.07017	98.1
107.04950	3.3
107.08574	58.7
107.09277	3.7
109.06499	11.1
109.10126	20.9
109.70766	2.2
115.05443	7.9
116.06218	4.6
117.06987	22.4
119.08564	99.4
121.06491	4.3
121.10126	48.9
123.08061	19.9
123.11722	8.2
125.05952	3.7
125.09630	2.4
128.06189	23.8
129.06972	21.1
130.07793	10.6
131.08545	43.0
133.06493	3.2
133.10106	47.8
135.08028	13.1
135.11665	13.5
137.09576	14.8
139.07471	2.7
139.11224	2.9
141.06967	12.7
142.07756	34.3
143.08533	50.6
144.09331	8.7
145.10095	62.6
147.08005	22.3
147.11681	16.7
149.09641	9.0
149.13264	4.5
151.07521	20.8
151.11284	2.8
153.07011	7.5
154.07768	5.0
155.08528	26.0
156.09317	28.4
157.10106	69.1
158.10941	10.1
159.08054	5.1
159.11671	30.5
161.09621	6.5
161.13239	10.5
163.11179	9.5
165.06985	9.6
165.09087	35.8
165.10466	2.9
166.07780	7.9
167.08543	15.9
167.10631	12.6
168.09409	11.1
168.10643	2.8
169.10112	37.1
170.10910	10.7
171.11653	38.9
173.09590	2.6
173.13237	30.6
175.11212	3.1
175.14807	9.2
178.07764	2.9
179.08514	23.0
180.09343	11.1
181.10101	22.0
181.12238	7.9
182.10875	12.9
183.11679	35.7
184.12451	9.5
185.13237	20.4
187.11186	4.1
187.14832	7.1
189.12755	7.0
191.14319	10.0
192.09381	6.6
193.10074	20.4
194.10889	18.5
195.11691	30.9
196.12433	6.8
197.13237	22.2
198.14087	3.0
199.11098	3.9
199.14825	19.7
201.12762	3.6
201.16376	3.3
203.14221	17.8
205.10110	6.8
206.10899	13.9
207.11691	28.2
207.13789	7.7
208.12486	7.6
209.13235	31.3
209.15213	2.5
210.14038	3.2
211.11267	2.3
211.14790	16.7
213.12761	4.2
213.16380	4.3
215.14276	3.3
216.09288	2.5
217.10146	8.5
217.15889	10.4
218.10960	4.9
219.11537	11.2
220.12505	9.8
221.13232	25.8
221.15392	72.5
222.13959	5.1
223.14749	19.1
225.12720	3.2
225.16426	6.9
227.14391	3.1
229.10097	3.8
230.10817	3.0
231.11642	8.4
231.17480	3.0
232.12494	6.8
233.13251	15.2
233.15393	5.8
234.14055	4.1
235.14764	16.6
236.15648	4.4
237.16423	8.9
239.14333	3.3
239.17899	5.0
241.16080	3.0
243.11620	4.2
244.12486	3.9
245.13171	10.2
246.14099	6.0
247.14795	18.8
248.15578	2.6
249.16364	10.0
251.18053	6.2
253.19511	3.5
257.13205	6.1
257.19031	6.8
258.14136	2.9
259.14841	7.3
260.15598	7.7
261.16269	13.1
263.17841	11.9
265.19522	8.6
267.17358	3.8
269.18927	5.3
271.14783	2.8
273.16293	6.7
274.17078	2.9
275.17892	13.3
277.19370	3.7
283.15039	2.3
283.20581	18.5
285.16260	3.3
287.17563	3.6
287.20316	5.4
289.19449	3.6
293.18939	3.4
295.20572	4.1
297.22141	4.8
299.20413	3.1
300.20950	2.9
319.20679	3.4
331.24258	6.0
333.22113	4.4
335.23828	2.6
349.25278	10.4
357.25983	2.4
375.26807	9.2
403.30002	7.8
491.35065	8.9
503.34918	6.7
547.39087	3.4
565.40375	24.0
583.41376	100.0
584.41565	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
53.94259	1.3
54.54624	1.1
54.78279	1.1
55.05510	6.3
55.79388	1.1
57.07073	8.2
59.04987	1.4
63.20011	1.1
65.03922	2.3
67.05499	13.0
68.37554	1.4
69.03419	6.1
69.07053	6.7
69.31470	11.5
79.05481	12.2
81.07039	20.9
83.04961	3.7
83.08591	4.1
85.06538	3.6
91.05470	15.6
93.07033	33.6
95.04952	6.2
95.08597	27.8
97.06539	3.3
97.10143	1.4
98.21564	2.0
103.05491	1.2
105.07021	37.5
107.08586	20.7
109.06499	5.8
109.10144	10.6
117.06983	8.6
119.08562	36.6
121.06490	3.9
121.10124	24.0
123.08052	19.2
123.11698	2.4
127.40179	1.1
128.06221	4.6
129.07005	7.3
130.07797	2.9
131.08540	13.0
131.38185	1.1
133.06500	3.1
133.10118	17.7
135.08040	6.2
135.11678	6.0
137.09627	10.1
141.06934	3.3
142.07784	10.8
143.08551	18.2
144.09337	4.0
145.06512	1.1
145.10107	23.4
147.08038	20.8
147.11667	5.1
149.09561	3.6
151.07532	22.8
151.11163	1.4
155.08463	6.8
156.09319	9.2
157.10110	30.6
158.10867	1.7
159.08034	3.0
159.11664	15.9
161.09622	2.7
161.13258	5.7
163.11154	5.2
165.06960	3.0
165.07671	1.8
165.09094	37.1
166.07729	1.2
167.08569	4.7
168.09303	3.5
169.10110	13.3
170.10907	5.2
171.11667	18.9
173.09583	2.6
173.13254	7.3
175.11212	3.1
175.14845	3.4
177.09204	2.0
179.08582	5.3
180.09337	2.9
181.10097	6.5
181.12219	2.7
182.10907	4.3
183.11671	13.9
184.12468	1.8
185.13213	13.7
187.11182	1.9
187.14865	2.9
189.12679	5.9
191.14308	2.7
192.09369	2.3
193.10110	6.8
194.10912	4.6
195.11664	10.8
196.12489	3.4
197.13226	13.6
198.13887	1.3
199.14809	5.7
203.14287	17.8
205.10104	2.4
206.10974	4.3
207.11714	8.2
207.13811	7.7
208.12555	4.2
209.13255	15.1
210.13959	2.1
211.14706	7.4
213.16354	2.7
215.14363	2.1
217.10233	1.9
218.10895	1.2
219.11690	2.9
220.12520	2.6
221.13237	6.7
221.15315	62.9
222.13986	2.8
223.14781	9.5
225.16464	3.2
230.11003	1.3
231.11693	2.1
231.13834	1.4
231.17413	2.7
232.10170	1.2
232.12383	2.2
233.13208	5.2
233.15314	1.9
234.14099	2.7
235.14816	6.7
235.82381	1.3
237.16307	2.7
239.17975	2.1
243.11800	1.5
245.13257	3.9
246.14061	2.0
247.14835	4.2
247.17009	2.4
249.16457	4.4
251.17967	2.7
253.15842	1.5
253.19438	1.7
257.18985	4.1
260.15598	2.2
261.16428	3.3
263.17944	3.8
265.19473	2.4
269.19232	2.1
271.20645	2.2
273.16223	1.4
275.18008	3.5
277.19580	4.2
279.20969	1.4
281.18979	1.9
283.20618	5.1
287.20370	2.4
289.19415	2.0
291.21045	2.3
295.20517	2.3
297.22104	4.7
299.20480	1.4
301.19284	1.7
303.21057	1.3
309.18750	1.3
309.22360	1.6
315.21143	2.2
318.27420	1.4
329.22794	1.8
333.22015	1.8
349.25275	2.3
352.23969	3.0
357.25681	2.1
365.24744	4.1
375.26904	4.7
385.28781	1.7
403.29953	10.8
444.68826	1.2
503.35022	5.8
509.34628	2.8
520.07196	1.4
547.39203	2.6
565.40381	32.2
566.40637	1.4
583.41364	100.0
584.41602	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4137
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
51.34045	1.2
53.03934	2.6
55.05501	6.0
57.07068	5.6
59.04968	1.3
65.00261	1.2
65.03923	2.0
67.05492	9.3
69.03416	5.0
69.07076	5.3
79.05481	9.5
81.07042	11.9
83.04945	2.2
83.08605	2.9
85.06519	2.9
91.05469	13.3
93.07029	23.9
95.04973	4.9
95.08600	21.1
97.06503	1.3
97.10201	1.4
103.05411	1.3
105.07008	26.9
107.04945	2.9
107.08578	17.1
109.06525	3.7
109.10137	8.1
112.32371	0.9
115.05401	1.1
117.06997	4.9
119.08564	25.1
121.06502	4.6
121.10135	16.2
123.08044	14.9
123.11727	2.0
128.06226	4.7
129.06973	4.7
130.07758	2.1
131.08548	12.5
133.06505	1.7
133.10124	14.4
135.08023	8.2
135.11679	4.4
137.05988	1.2
137.09604	7.6
138.19502	1.1
141.06947	1.7
142.07762	8.4
143.08533	15.0
144.09315	2.5
145.10098	19.2
147.08025	13.2
147.11659	6.1
149.09593	2.3
151.07506	15.0
153.06993	1.3
155.08551	4.4
156.09314	8.5
157.10089	24.2
158.10936	3.0
159.08020	2.8
159.11667	12.0
161.09608	3.5
161.13257	3.5
163.11185	3.3
165.07016	2.1
165.07651	1.6
165.09094	31.4
167.08611	3.4
168.09348	2.7
169.10089	9.4
170.10895	4.8
171.11665	16.1
173.09607	2.3
173.13243	6.9
175.11171	2.7
175.14781	2.3
177.09026	1.4
179.08571	4.9
180.09373	2.1
181.10136	6.1
181.12212	2.1
182.10896	3.7
183.11665	11.7
184.12463	1.7
185.13242	11.4
187.11139	1.6
187.14796	1.1
189.12709	6.9
191.14249	1.6
192.09326	2.0
193.10133	4.8
194.10910	3.8
195.11661	8.2
196.12367	1.9
197.13223	8.9
199.14806	3.9
201.12781	1.6
203.14291	14.7
205.10072	2.3
206.10767	2.1
207.11664	8.0
207.13795	6.0
208.12473	2.8
209.13248	12.4
209.15128	2.1
210.14003	2.8
211.14803	5.0
213.16367	3.1
215.14323	1.9
217.10074	1.3
219.11584	1.9
220.12509	1.8
221.13229	5.2
221.15318	58.2
222.13959	1.8
223.14691	7.0
224.15617	1.4
225.16423	2.2
227.14177	1.3
229.15674	1.2
231.11612	2.0
231.17395	2.9
232.12550	1.2
233.13216	4.1
233.15375	1.6
234.13992	1.7
235.14610	5.9
237.16452	3.1
239.17946	1.6
243.11600	1.4
245.13170	2.3
246.13937	1.3
247.14841	4.1
247.17064	2.2
248.15384	1.5
249.16347	4.6
251.17845	2.6
253.19443	1.3
257.18912	1.7
259.14810	1.4
260.15485	1.1
261.16342	2.3
263.17883	3.0
265.19513	3.3
269.19000	2.1
271.20578	2.5
275.17801	1.8
277.19397	2.7
279.20999	2.9
283.20578	4.6
287.20068	3.3
289.19595	2.0
295.20517	3.2
297.21964	5.8
299.20197	2.4
307.20538	1.4
309.22064	2.1
325.21475	1.5
331.24054	1.6
333.22107	2.0
347.23724	2.3
349.25467	3.1
357.25778	2.6
365.24765	2.8
375.26645	6.9
403.29852	13.5
485.33643	1.7
491.34399	1.1
503.34973	5.8
509.34219	3.5
512.86072	1.2
547.39276	3.8
565.40320	30.5
566.40570	1.6
583.41345	100.0
584.41357	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	584.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.2
57.07053	14.4
69.07061	18.6
70.10271	40.3
70.10687	26.5
73.52936	13.1
79.05473	20.6
89.06007	23.2
91.05458	33.4
93.07028	37.4
95.04920	14.4
95.08600	34.1
105.07012	43.2
107.08569	23.6
109.10166	21.0
117.07016	13.3
119.08601	66.0
121.10119	21.5
126.32353	12.9
126.87601	12.5
129.06960	13.0
131.08539	38.3
133.10126	22.1
135.11642	23.0
137.09641	16.4
142.07780	23.1
143.08455	19.8
145.10085	36.6
145.61195	13.3
147.07980	22.6
147.11606	21.1
156.09286	15.7
157.10046	21.1
158.10484	18.8
159.07985	15.5
159.11679	30.1
161.13225	15.2
165.09053	31.0
169.10127	16.8
171.11623	19.2
183.11752	25.8
185.82431	12.7
195.11603	17.4
197.13260	14.3
221.15378	56.7
222.15627	34.0
227.14334	13.3
270.43466	14.0
284.07681	16.8
491.35287	15.5
492.35535	54.1
504.35678	38.4
584.41919	100.0
584.55933	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12037	5.4
53.56047	5.0
55.05495	8.1
56.95662	5.5
57.07060	15.1
67.05496	16.0
69.03436	8.3
69.07054	12.3
71.54446	7.4
75.25910	5.8
79.05463	19.0
81.07046	19.6
89.55787	7.2
91.05476	25.4
93.07057	39.0
93.27348	6.3
95.08609	21.4
105.07026	52.6
107.08583	49.4
109.10134	15.7
115.05441	5.5
117.07017	13.4
119.08566	80.3
121.10133	24.1
121.23056	5.9
123.08028	9.9
129.07014	18.9
131.08519	40.6
133.08601	10.0
133.10092	44.5
135.08046	19.5
135.11649	11.3
142.07782	15.3
143.08569	31.3
144.09326	7.3
145.10100	42.7
147.08047	14.3
147.77161	6.1
149.09653	12.0
153.06906	7.9
155.08524	13.6
156.09348	13.4
157.10098	40.3
159.08020	7.8
159.11650	37.6
161.13158	8.3
165.09113	26.3
167.08534	7.3
169.10124	19.6
170.10941	8.1
170.58350	5.9
171.11671	25.4
173.13199	16.5
175.11151	10.5
175.14856	11.1
182.10922	7.3
183.11665	16.5
185.13248	15.9
187.14865	6.4
189.12749	10.3
194.10899	7.7
195.11647	16.3
196.12390	8.1
197.13239	18.5
201.12691	8.8
203.14307	11.7
207.11816	8.5
207.13855	9.0
209.13239	16.2
211.14674	7.6
219.11633	7.7
221.13318	9.8
221.15329	61.9
225.16379	5.9
234.16040	9.9
241.85176	5.9
263.17911	7.2
299.20056	12.0
311.29208	6.7
325.21490	10.7
337.21683	8.3
352.23880	65.0
365.24808	16.1
371.22293	6.8
404.30457	7.3
412.29782	14.5
422.56241	5.6
438.31024	7.2
491.35147	9.5
504.35831	100.0
505.36752	6.6
584.42157	18.2
584.55988	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	585.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80844	9.2
55.05503	12.8
57.41598	8.6
67.05477	15.5
69.07070	19.9
69.44046	44.5
69.44478	40.0
74.48605	9.9
79.05476	31.0
81.07040	51.4
83.08575	15.5
91.05476	33.5
93.07037	68.5
95.04940	14.3
95.08574	20.6
105.07013	100.0
107.08575	39.1
107.60423	10.0
109.10160	21.0
109.96384	9.6
117.06933	16.4
119.08578	76.8
121.10146	59.9
121.99538	10.3
130.07808	10.3
131.08536	24.7
133.10110	60.4
135.11649	13.0
137.09576	17.9
142.07784	12.3
143.08528	27.0
145.10110	46.3
147.11691	35.7
149.09433	9.6
155.50507	10.4
157.10098	46.3
159.11673	23.2
167.10657	27.5
169.10100	17.9
171.11638	15.3
173.13222	15.8
175.14792	12.6
180.22847	11.5
197.13303	12.0
199.14755	10.0
203.14348	12.0
211.14725	9.4
213.16478	12.1
221.15363	13.0
518.10547	11.5
561.30829	11.5
585.43933	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	586.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.0
64.51383	1.6
67.05494	4.9
69.03414	4.2
69.07043	3.6
69.58933	1.6
70.06587	2.0
70.42213	1.9
71.04975	2.8
71.53292	2.8
71.53649	2.2
79.05449	4.1
81.03400	2.4
81.07043	4.8
83.04951	1.8
84.04474	3.8
85.02868	8.3
85.06522	5.6
91.05477	2.9
91.60965	2.0
93.07021	9.7
95.04943	3.9
95.08585	3.4
97.02905	3.0
97.06525	7.7
99.04435	2.4
105.07037	9.6
107.08579	25.5
109.06518	3.4
113.06020	4.1
115.03974	1.8
119.08550	5.8
121.06492	4.5
121.10126	15.5
122.06004	2.8
127.03939	3.3
131.08511	2.2
134.00636	1.8
135.11655	5.5
137.02347	2.4
137.05980	2.7
145.04953	2.4
145.10085	11.2
147.04408	5.8
149.09579	4.1
151.07523	3.6
161.05919	2.4
163.03888	1.8
163.07585	2.4
163.11157	30.1
167.10674	10.1
169.08582	30.8
173.09650	3.4
181.12190	16.1
185.11691	5.6
191.10635	12.4
207.10143	4.7
209.11734	18.9
227.12756	100.0
239.70357	2.0
245.13826	14.6
341.06497	5.9
379.14890	2.2
424.10223	6.0
439.86331	2.0
586.15173	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	587.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05142	1.3
70.95442	2.2
70.95765	2.2
74.48649	1.7
93.58495	1.2
101.00848	2.9
113.00863	1.6
119.01885	8.2
131.01889	9.4
143.01878	13.7
145.03444	3.5
155.01875	64.0
156.02025	1.5
157.03455	2.4
161.02953	14.7
167.01927	1.5
169.03442	1.5
172.81270	1.2
173.02942	100.0
174.03079	1.9
185.02948	18.0
196.04535	3.3
197.02943	4.1
199.04619	2.1
203.03981	7.4
209.02896	1.6
215.03983	3.4
221.05058	2.1
227.03979	2.4
239.03920	3.7
239.06184	1.7
245.05045	71.4
246.05363	1.5
257.05026	9.1
269.05042	1.5
275.06042	6.0
287.06018	2.5
299.06210	2.3
305.07150	95.2
306.07205	3.3
317.07373	1.7
323.08273	3.5
326.00201	1.3
329.06979	2.7
335.08063	2.1
339.59857	1.4
347.08148	13.1
365.09195	6.5
377.09149	1.3
407.10294	61.2
408.10742	2.1
421.65897	1.4
437.11157	2.7
467.12396	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	587.3209
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
53.03934	6.4
55.01868	10.6
55.05507	30.8
55.39998	1.9
57.03426	5.9
62.12035	2.1
65.03918	2.9
67.05497	57.7
69.03419	4.7
69.07067	15.6
69.46391	18.4
71.01329	3.4
71.04968	6.0
79.05042	3.0
79.05487	55.0
81.03413	27.3
81.07051	70.2
83.04976	10.8
83.08625	17.4
85.02885	4.2
85.06514	4.4
91.05470	48.4
91.59216	1.9
93.07036	42.4
95.04962	48.6
95.08590	24.2
97.02884	4.5
97.06510	9.4
97.10170	11.8
103.05437	7.3
105.03416	2.3
105.07021	26.1
107.04956	13.7
107.08581	27.7
109.02891	12.6
109.06501	8.3
109.10191	9.5
111.04411	2.6
111.08074	5.2
115.05423	10.6
117.06998	20.6
119.04918	7.1
119.08551	14.3
121.02847	7.3
121.06513	13.1
121.10135	13.6
123.04408	3.7
123.08060	6.2
123.11696	3.9
125.09603	7.5
128.06245	4.8
129.06979	15.5
131.04910	14.1
131.08545	19.4
133.06479	13.0
133.10129	13.2
135.04405	3.3
135.08002	6.7
135.11673	10.7
137.02309	5.5
137.05959	5.4
137.09605	2.3
141.06975	6.6
142.07698	3.7
143.08551	10.9
144.05655	3.1
145.06485	19.3
145.10120	11.8
147.04353	10.3
147.08028	10.3
147.11655	7.6
149.05940	5.7
149.09596	5.3
149.13210	9.2
151.03912	2.9
151.11092	2.5
153.06909	2.3
153.09082	2.2
155.08516	7.6
157.06445	9.9
157.10085	4.6
159.04379	3.4
159.07967	10.5
159.11656	8.7
160.05205	4.4
161.05968	26.5
161.09648	6.1
163.07385	2.5
163.11195	6.4
165.05521	2.2
166.07750	2.6
167.08546	5.1
169.06467	5.0
169.10178	5.1
171.08035	8.4
171.11670	2.8
173.05963	21.5
173.09509	2.9
174.06732	6.7
175.03842	2.8
175.07492	3.3
175.11179	4.7
179.08516	3.7
181.10066	5.1
183.08087	3.6
183.11674	4.8
185.05975	2.8
185.09627	5.0
187.07547	15.0
189.05449	27.6
189.09073	3.8
189.11249	3.9
189.12776	2.7
193.12202	2.5
195.08040	5.0
195.13808	7.4
197.09592	5.3
199.07538	3.0
199.11209	2.6
200.08350	2.9
201.05490	3.8
201.08978	3.5
203.07014	3.0
203.10576	3.9
205.12175	3.2
209.09517	2.6
209.13315	3.0
211.07542	3.5
213.12692	2.3
223.11227	2.5
227.12642	3.3
237.12674	2.6
239.10732	2.4
239.60217	2.6
245.15338	4.1
255.13855	8.2
257.15390	7.5
259.13358	2.5
267.16000	3.1
269.17465	19.9
271.13257	2.5
273.14859	25.6
283.13269	12.3
283.16507	2.4
285.14673	12.8
287.16559	2.8
289.14407	4.8
301.14301	90.5
303.15884	8.9
319.15311	11.6
325.18134	3.0
327.15894	2.6
345.16730	3.1
357.17004	5.9
359.18683	2.3
375.18033	18.7
393.19156	4.8
417.24359	2.6
449.26917	5.2
459.25760	2.8
477.26419	5.3
495.27396	8.5
507.30453	2.2
513.28821	3.7
523.30255	3.1
527.30011	4.8
539.29883	3.7
541.31488	5.7
543.30048	3.1
551.30084	6.8
557.30920	19.3
569.31030	65.0
570.31476	3.6
587.32062	100.0
587.41357	4.8
588.32458	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	587.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63638	1.6
51.02373	2.1
51.92786	1.5
53.03946	4.4
55.01857	4.4
55.05503	28.2
57.03421	15.3
62.70643	2.0
65.03924	5.7
67.05496	69.5
68.16489	1.6
69.07063	14.6
70.43700	1.5
70.62708	3.6
70.63070	4.0
71.01331	4.3
71.04977	4.1
79.05485	51.0
81.03404	28.6
81.07048	52.4
83.04969	5.0
83.08602	10.5
85.06546	2.6
91.05473	34.9
91.42516	1.7
93.07030	49.0
95.04960	64.8
95.08589	41.8
97.06493	7.0
97.10165	10.5
103.05465	2.6
105.07014	27.6
107.04942	16.0
107.08592	30.3
109.02868	13.8
109.06470	8.6
109.10151	18.1
111.04436	3.4
111.08065	4.1
117.06996	14.4
119.08569	21.7
121.06498	10.2
121.10119	19.7
123.04417	76.0
123.08046	3.5
123.11689	7.1
125.09610	6.4
128.06218	3.5
129.06992	10.4
130.07753	2.1
131.04915	3.1
131.08531	14.1
133.06429	3.9
133.10130	10.9
135.08040	5.3
135.11679	19.9
137.05995	3.4
143.08549	6.7
145.06467	4.1
145.10117	24.0
146.33281	1.7
147.08029	9.5
147.11671	11.1
149.05919	2.9
149.09579	5.3
149.13231	5.2
153.09068	7.3
155.08521	5.1
157.10103	7.4
159.08063	1.8
159.11613	6.6
161.13219	4.7
163.11166	20.6
163.27875	2.4
165.12724	2.2
169.10141	2.9
171.11632	10.6
173.09569	9.2
173.13237	3.5
175.14706	2.3
187.11192	2.7
189.11240	3.8
189.12712	12.2
191.10707	6.2
199.11156	6.0
199.14838	2.2
205.12221	2.3
207.13747	17.3
217.12265	14.9
223.13174	2.4
223.29797	2.1
227.12756	2.3
235.13251	100.0
236.13666	2.2
243.21124	3.8
253.14328	2.5
261.22128	7.2
273.14874	3.7
291.16052	3.5
309.16898	61.6
335.25778	77.7
336.25681	2.0
354.24622	1.8
363.84061	1.9
381.24789	2.0
459.32620	4.8
477.33636	5.7
495.34448	6.4
513.35016	2.7
551.37018	3.8
569.38330	72.4
569.47235	3.9
570.38000	2.5
587.39594	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	587.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55127	1.9
53.03931	7.1
55.01862	8.0
55.05502	26.4
57.03443	13.1
57.07058	4.5
65.03933	5.2
66.84677	1.9
67.05495	80.5
69.06786	1.6
69.07058	17.8
69.81069	12.6
70.86196	2.0
71.01326	7.6
71.04989	3.9
77.03848	2.1
79.05482	63.7
81.02972	2.8
81.03409	32.2
81.06573	4.0
81.07041	68.1
83.04955	5.9
83.08598	11.5
85.06525	2.7
91.05468	42.3
93.07029	56.2
95.04362	3.8
95.04958	76.0
95.08590	46.9
97.06496	7.6
97.10137	8.7
103.05450	4.1
105.07010	32.8
107.04937	16.2
107.08584	31.1
109.02865	18.5
109.06522	10.8
109.10139	23.6
111.04372	2.0
111.08101	4.5
115.05400	2.4
117.06994	18.9
119.08567	25.6
121.06493	8.1
121.10131	26.5
123.04410	80.1
123.08041	4.5
123.11674	7.7
125.09602	8.3
128.06223	1.9
129.06996	13.5
130.07771	2.2
131.04929	2.1
131.08546	18.3
133.06480	4.1
133.10110	14.3
135.08028	6.7
135.11647	22.4
137.05983	4.0
137.09641	1.9
138.14236	1.8
141.06992	2.5
143.08525	7.0
145.06482	4.0
145.10089	27.2
147.08023	7.4
147.11656	8.6
149.05936	3.7
149.09547	3.9
149.13206	5.5
150.62302	1.8
153.09096	7.1
155.08562	5.3
155.41982	2.0
157.06459	3.1
157.10083	6.4
159.08076	3.5
159.11676	10.1
161.13208	6.5
163.11183	18.5
163.14813	3.0
169.10110	3.4
171.11632	13.5
173.09593	8.6
173.13235	3.2
181.10075	2.3
185.13196	3.8
187.11165	2.1
187.14713	2.9
189.11220	2.3
189.12698	10.0
191.10623	5.3
199.11131	4.6
205.12103	2.2
207.13773	18.2
217.12230	9.2
235.13249	95.9
253.14284	3.2
256.17172	1.9
261.22073	12.8
273.14926	2.7
275.19922	2.4
276.01599	2.2
291.15924	2.0
309.16931	62.4
325.25446	2.5
335.25735	100.0
413.74963	2.0
459.32346	2.3
477.33417	5.9
495.34827	5.2
528.48096	2.3
546.41809	2.1
569.38239	54.2
587.39252	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	587.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03161	1.6
50.46484	1.8
53.03931	6.8
55.01861	9.7
55.05503	30.5
56.63723	1.4
57.03430	15.5
57.07055	2.5
65.03922	6.8
67.05493	89.2
69.03413	2.4
69.07057	18.0
70.57330	1.7
70.57673	6.0
70.86662	1.7
71.01339	5.2
71.04969	2.7
79.05481	62.8
81.03403	31.3
81.03860	3.4
81.07046	68.1
83.04967	5.5
83.08604	15.3
87.27039	1.4
91.05471	37.9
93.07030	57.0
93.12491	1.7
95.04953	70.7
95.08594	46.1
97.06536	5.1
97.10159	12.2
103.03947	2.4
103.05457	3.4
105.07019	28.8
107.04932	15.0
107.08581	34.8
107.09286	2.7
109.02867	15.9
109.06486	8.2
109.10139	21.3
111.04411	2.5
111.08064	4.1
115.05391	3.7
117.06998	16.6
119.08567	25.9
120.60313	1.7
121.06473	7.9
121.10122	24.7
123.04409	77.9
123.08037	4.1
123.11700	6.2
125.09603	8.3
129.07004	10.9
130.07820	2.2
131.04927	2.9
131.08557	24.3
133.06487	3.8
133.10117	13.7
135.08073	7.8
135.11676	22.8
137.05965	4.1
137.09595	2.1
137.13214	2.4
141.07001	2.3
143.08501	10.6
145.06491	5.6
145.10081	28.4
147.08020	8.8
147.11642	12.1
147.32573	1.9
149.09633	2.5
149.13286	5.6
153.09116	4.7
155.08499	5.0
156.98125	1.9
157.06500	3.0
157.10120	6.3
159.08023	3.1
159.11671	8.2
161.09573	2.3
161.13257	7.2
163.11156	19.7
165.12775	2.3
165.76225	2.0
169.10147	3.5
171.08086	1.9
171.10324	2.8
171.11626	12.4
173.09595	9.3
173.13222	3.9
175.07457	2.3
175.11110	2.5
181.10088	2.7
185.13165	2.5
187.11255	2.3
187.14796	2.4
189.11218	3.1
189.12688	13.3
191.10674	6.0
197.13284	2.7
199.11139	5.2
199.14807	2.4
200.91988	1.8
201.16292	2.5
205.12227	2.3
207.13757	15.2
211.14737	1.9
217.12190	13.9
223.13199	2.6
227.12657	2.6
235.13240	98.9
236.13644	2.0
243.21135	2.5
253.14243	3.1
261.22150	9.8
273.14618	2.8
291.15741	2.4
309.13345	3.0
309.16907	61.6
325.25186	2.5
335.25754	100.0
336.26044	3.0
343.26566	1.9
351.44638	1.7
460.10266	2.1
477.33588	7.1
495.34570	4.6
513.35864	3.0
569.38300	65.4
570.38812	3.6
587.39374	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	587.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01864	4.2
55.05502	25.2
57.03434	10.3
57.07066	2.2
65.03933	3.8
67.05494	78.3
69.07060	16.6
69.76603	11.5
71.01338	4.6
71.04958	3.7
79.05483	54.5
81.02995	1.9
81.03409	25.5
81.07041	56.7
83.04977	8.1
83.08609	12.2
85.06506	1.6
91.05464	37.2
93.07027	53.6
95.04954	65.9
95.08593	41.4
97.06512	5.6
97.10121	8.2
98.20809	3.0
105.07007	23.9
107.04946	12.4
107.08575	29.7
109.02870	13.4
109.06506	10.5
109.10126	18.7
111.08061	4.0
117.07009	15.9
119.08555	19.5
121.06461	6.4
121.10117	23.1
123.04411	68.3
123.08049	4.7
123.11675	5.4
125.09603	4.3
125.32744	1.6
128.06151	3.2
129.07007	9.9
131.04913	2.3
131.08549	14.4
133.06465	3.2
133.10101	12.8
135.08040	6.0
135.11653	17.8
137.05957	2.7
137.13176	2.6
141.06865	2.7
143.08533	7.8
145.06470	4.2
145.10092	22.4
147.04340	1.8
147.07977	6.7
147.11676	9.0
149.05914	2.5
149.09613	3.2
149.13217	2.9
153.09064	6.9
155.08504	4.7
157.10088	5.0
159.08005	3.2
159.11647	6.7
161.09575	2.4
161.13213	4.1
163.11157	20.3
163.14793	2.7
165.12778	2.2
169.10069	2.6
171.08026	1.9
171.11641	7.8
173.09578	10.4
173.13199	4.8
185.13158	1.9
187.14737	2.3
189.11209	3.1
189.12697	13.2
191.10623	4.2
199.11197	5.3
201.12709	2.3
204.26433	1.8
205.12073	2.6
207.13747	16.0
217.12212	11.5
223.13228	2.3
235.13249	88.4
243.21065	2.4
253.14294	2.6
261.22101	7.4
266.18719	1.6
306.83932	2.3
309.16919	55.7
325.25143	2.7
335.25754	100.0
336.26074	4.6
459.32404	2.3
464.02774	1.8
477.33505	6.1
495.34537	2.9
513.35431	1.7
551.36871	3.1
569.38306	53.4
570.38513	2.4
587.39349	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	589.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06244	5.7
53.03926	10.3
53.78880	6.1
55.01855	7.4
55.05503	38.9
57.03422	9.0
62.89349	6.6
67.05499	76.1
69.03448	5.8
69.07052	24.3
71.04987	6.9
71.54153	8.8
79.05487	65.3
81.03397	11.7
81.07052	79.3
83.04967	15.6
83.08598	23.8
91.05482	55.8
93.07034	59.1
95.04928	35.9
95.08604	34.4
97.06547	8.6
97.10131	13.8
105.07018	41.1
107.04964	8.4
107.08586	32.7
109.06539	6.4
109.10152	17.1
117.06997	12.4
119.08562	30.1
121.10139	15.6
123.08036	12.5
125.09631	11.2
129.06982	11.3
131.08556	20.7
133.10136	14.6
135.08060	7.6
138.03539	6.7
143.08516	8.5
145.10100	12.3
147.07999	15.1
147.11656	31.7
159.07951	9.5
161.13269	7.7
171.11703	26.7
189.11212	8.0
189.12749	7.3
207.13846	16.8
223.13293	14.9
273.18491	23.8
281.17334	44.8
291.19580	100.0
326.27707	7.4
365.23267	30.6
571.36151	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.05505	14.8
57.03439	9.4
57.07071	39.0
67.05499	38.2
69.07062	18.3
69.81441	9.2
71.04973	2.7
71.08630	24.9
79.05042	1.1
79.05483	31.9
81.07050	43.2
83.04995	1.9
83.08614	11.7
85.06549	2.6
85.10177	16.4
86.48184	1.3
91.05476	43.7
93.07031	34.8
95.04955	2.8
95.08598	42.2
97.10149	3.8
98.21508	2.2
98.61041	1.5
99.08071	2.1
103.07590	1.8
105.07021	52.7
107.08582	19.5
109.10154	14.2
113.09631	2.6
117.06998	12.6
117.96032	1.5
119.08571	44.8
121.10137	18.1
123.11703	6.4
128.06198	2.4
129.05464	1.8
129.06996	8.0
131.08560	18.5
133.10115	35.6
135.07936	1.5
135.11661	13.7
143.08548	6.8
145.10114	16.5
147.11676	39.9
149.09688	2.2
149.13251	9.4
157.10121	7.8
159.11674	13.4
161.09663	2.4
161.13248	30.8
163.11203	1.7
163.14746	2.7
171.11688	11.7
173.13257	9.5
175.14806	16.5
175.62572	1.4
185.13202	10.7
187.14825	3.6
189.12724	1.6
199.14790	3.4
213.16409	3.0
215.17831	1.4
217.19559	2.8
231.21088	8.1
239.23622	3.9
241.17636	0.9
241.19490	42.1
257.24829	3.7
259.20560	96.6
260.21179	1.8
275.20020	1.9
277.21768	3.6
281.79123	1.6
313.27335	100.0
314.27878	3.6
315.23209	3.8
333.24179	46.7
351.25375	1.5
502.70355	1.7
521.26617	1.4
571.46887	8.2
589.48071	12.4
590.47882	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	590.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	8.6
55.05499	27.0
56.60037	7.7
67.05494	53.1
69.07047	16.1
70.59747	28.9
79.05489	47.3
81.07051	53.3
83.04965	47.0
83.08619	9.5
91.05460	57.8
93.07027	70.0
95.04959	30.8
95.08601	100.0
97.06468	11.7
103.05462	8.8
105.07021	63.5
107.04954	9.4
107.08572	39.7
109.06512	24.0
109.10137	12.6
111.04432	11.0
111.08083	12.5
115.05435	11.0
117.07014	20.9
119.08572	51.2
120.42981	8.0
121.10129	29.0
123.08051	43.2
123.11660	10.8
128.06207	18.0
129.06979	21.7
131.08575	73.2
131.09442	11.7
133.06421	8.5
133.10109	34.4
135.08076	12.0
135.11641	12.6
137.06024	8.1
139.34830	8.1
141.06973	11.6
142.07742	18.0
143.08551	36.6
144.09311	10.9
145.06435	10.9
145.10115	96.3
146.10872	23.4
147.08044	17.7
147.11668	29.9
149.09619	13.1
154.07910	9.1
155.08528	25.9
156.09380	10.3
157.06476	11.8
157.10118	44.5
158.07228	8.8
159.08052	13.1
159.11646	49.1
161.09550	18.2
161.13268	8.7
167.08553	15.1
169.10109	25.9
171.07927	16.1
171.11682	39.4
172.08730	9.3
173.09612	19.7
173.13152	13.5
175.11214	11.3
181.10107	15.1
183.11609	15.6
185.09587	43.9
185.13217	16.8
187.11124	26.8
189.12813	10.0
195.11783	11.4
197.09647	16.1
197.13237	13.3
199.14844	15.8
200.89940	8.4
201.12766	21.1
207.11551	10.1
209.13318	18.6
211.11223	11.2
213.12755	11.1
215.10648	11.8
215.14305	12.7
218.11063	8.8
219.13770	19.5
221.09468	10.0
221.13344	13.9
227.14270	23.9
235.14856	8.9
245.13229	11.2
245.15419	32.9
251.18083	12.6
263.16434	23.8
319.17007	9.9
413.24597	16.2
419.25519	9.4
431.25687	17.3
433.27701	15.0
433.90814	8.1
437.26785	9.9
441.24231	15.9
459.25006	40.0
477.26550	51.8
495.26837	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	591.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01857	2.2
55.05506	18.6
57.03439	15.0
57.07073	46.3
65.03915	2.1
67.05499	63.9
69.07063	19.7
69.84538	2.7
69.84951	4.0
71.08627	28.9
79.05485	34.7
81.07050	77.5
81.89980	1.3
83.08617	13.6
83.66585	1.1
85.06532	1.8
85.10175	15.6
89.06022	2.4
91.05476	16.2
93.07038	50.0
95.04953	4.3
95.08601	67.8
97.06513	2.1
97.10146	8.4
99.08090	1.4
105.07029	16.4
107.08585	30.9
109.10155	27.6
111.11675	1.5
112.58484	1.2
114.25489	1.4
117.06956	7.1
119.08568	12.0
121.10135	27.2
123.11694	12.7
131.08543	14.4
133.10121	12.2
135.11687	18.2
137.13234	4.6
145.10126	11.0
147.11676	8.2
149.13258	12.6
151.68100	1.5
153.12695	1.7
159.11674	10.1
161.13234	4.9
163.14784	6.6
164.93654	1.5
173.13242	11.1
175.14824	2.3
177.16377	2.1
184.49760	1.4
187.14796	4.1
233.22635	2.7
239.23616	6.4
243.21066	15.5
257.24692	2.0
261.22122	70.4
262.22598	1.8
279.23193	3.2
311.17245	1.2
313.27350	100.0
314.27600	3.5
317.24744	14.1
335.25769	69.1
336.25986	1.8
379.09277	1.5
406.44827	1.4
498.30457	1.5
499.44891	1.5
573.48999	18.4
574.49390	1.6
591.49792	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	593.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02885	0.3
57.03402	0.4
61.02909	0.6
65.87779	0.4
69.03416	0.5
71.56470	0.3
71.56809	0.5
85.02879	1.5
91.03935	0.5
97.02888	0.9
125.31397	0.3
127.03927	0.6
131.79140	0.4
155.01926	0.5
161.02953	0.4
166.95070	0.4
169.05225	0.6
173.03004	0.6
178.02414	0.3
185.02855	0.4
196.02484	0.4
203.03966	0.5
211.02832	0.5
230.03641	0.4
232.03362	0.7
237.55627	0.4
250.97160	100.0
251.97453	0.9
259.08423	0.3
264.57846	0.7
265.07751	0.4
287.05704	0.9
299.05823	0.5
305.07007	0.9
310.98373	1.5
322.98352	0.5
328.99466	1.3
329.06674	1.1
337.09656	1.0
338.10074	0.5
340.99551	0.5
341.06909	0.5
341.10995	0.7
371.00464	0.9
381.07874	13.0
389.08737	1.1
403.06082	0.4
404.52185	0.3
413.01474	0.5
419.03339	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	593.2749
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.61636	0.2
71.30563	0.4
71.30897	0.2
72.92653	0.2
209.10577	0.3
222.11287	0.2
270.73718	0.2
275.73541	0.2
388.16739	0.3
389.17737	0.8
390.18362	0.3
401.17752	0.5
402.18326	0.6
403.19165	2.0
404.19928	1.0
405.20642	1.2
415.19366	0.4
416.19955	0.6
417.16644	1.0
417.21469	2.5
418.21704	1.2
419.22385	3.2
430.17719	0.8
431.18274	6.6
432.18613	1.9
433.24088	5.6
434.24493	1.7
444.19034	0.5
445.19876	7.2
446.20758	4.2
447.21655	6.3
448.22144	0.3
453.63406	0.2
458.21359	0.4
459.21451	3.4
460.22504	12.6
461.23215	11.4
463.21439	0.3
464.22421	0.3
473.23773	2.5
474.23935	0.7
475.24899	0.3
476.26111	1.1
477.22900	0.9
487.25330	1.3
488.26355	0.3
489.26306	0.8
491.24329	1.0
492.25116	1.4
493.26044	0.5
504.21207	0.4
505.22012	7.6
515.24554	0.4
518.22919	0.8
519.23779	1.3
533.25439	31.6
534.25568	1.4
547.26923	0.3
549.21063	0.3
550.25537	0.4
561.24774	0.6
563.22919	0.3
564.23871	1.0
565.28595	1.0
575.26147	0.4
578.24585	0.3
593.27496	100.0
594.27881	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	593.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08507	0.4
61.11987	0.3
80.28710	0.4
83.25236	0.3
106.51301	0.3
117.98345	0.3
124.41195	0.3
129.32973	0.3
139.61949	0.4
154.07410	0.4
223.94691	0.4
235.12498	0.4
365.65707	0.4
375.16830	0.4
387.16046	0.8
388.16891	0.9
389.17459	1.6
390.18854	0.5
401.17554	0.5
402.18484	1.0
403.19247	4.0
404.19916	1.3
405.20792	2.2
415.19186	0.7
416.20090	1.5
417.16653	1.1
417.21268	4.7
418.21790	2.7
419.22342	5.2
430.17630	1.1
431.18158	12.0
432.19296	2.8
432.23721	1.3
433.24063	11.8
434.24921	1.9
445.19904	14.4
446.20740	7.5
447.21750	7.1
449.23013	0.6
459.21494	5.4
460.22501	20.4
461.23267	18.7
462.24344	0.7
463.21094	0.8
470.98175	0.4
473.23605	3.0
474.24008	1.1
476.25958	2.1
477.21973	0.8
477.27429	0.7
487.24960	1.6
488.25671	0.6
489.26715	1.1
491.24350	1.1
492.25186	1.9
505.21780	7.3
515.24664	0.7
518.23157	0.9
519.23975	1.3
533.25421	60.6
534.25885	2.0
547.27124	1.0
561.25073	0.5
564.23120	0.9
565.27844	1.5
575.26202	0.7
578.24622	0.4
580.18268	0.4
593.27490	100.0
594.27954	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	6.0
53.03918	12.5
55.01860	16.8
55.05505	67.3
57.02919	5.2
57.03418	11.9
61.98907	5.5
62.59376	4.8
67.05501	89.1
69.03413	13.2
69.07065	26.5
69.21457	25.9
69.21880	42.1
71.04964	12.4
79.05485	79.3
81.02970	7.0
81.03407	72.7
81.07047	91.8
83.04983	27.0
83.08596	35.6
85.02871	27.1
91.05455	61.8
93.07041	59.5
95.04971	40.6
95.08604	49.3
97.06525	10.4
97.10151	50.5
102.50406	5.0
105.07024	50.7
107.04922	16.4
107.08590	30.6
109.06487	12.8
109.10149	28.0
111.04432	7.5
111.08030	6.4
115.05419	8.3
117.07004	21.6
119.08567	50.5
120.58940	5.9
121.06435	7.1
121.10123	29.0
123.08065	50.0
123.11658	20.0
125.09603	34.6
129.06979	19.7
131.08583	31.7
133.10098	17.2
135.08061	10.6
135.11684	11.9
137.09586	12.9
139.11081	5.9
141.59335	6.3
142.07716	6.1
143.08559	10.5
145.10098	26.9
147.08023	15.7
147.11676	28.9
149.09621	8.4
151.11139	5.2
155.08559	6.0
157.10109	15.6
159.07973	7.2
159.11679	7.3
163.11154	10.4
165.09149	9.8
165.12740	8.1
168.74162	5.3
175.11142	21.4
180.12669	4.9
187.13300	12.8
189.11168	19.4
193.12239	49.6
211.13275	60.5
219.89128	5.4
223.13173	13.4
227.12756	40.4
263.40344	6.7
267.15900	29.4
273.18497	54.8
275.20065	6.1
285.16846	40.8
287.00650	5.5
291.19553	100.0
347.22195	9.1
364.12488	6.6
365.23199	42.6
557.34540	26.6
575.35657	64.0
593.33862	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	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27584	6.7
55.01857	9.8
55.05510	31.7
57.03433	14.7
64.26855	6.9
67.05502	40.0
69.03407	12.8
69.07035	14.9
71.04987	7.4
71.53459	7.6
79.05482	38.5
81.03410	74.6
81.07047	32.9
83.04954	12.0
83.08597	22.4
85.06559	8.3
91.05470	23.7
93.07027	36.5
95.04971	37.9
95.08569	13.9
97.10152	21.2
105.07009	27.3
107.04965	20.8
107.08589	22.0
109.02883	6.8
109.06494	12.1
109.10151	15.1
115.32312	7.1
119.08557	19.5
121.06513	15.2
121.10118	12.8
123.08026	10.5
125.09618	13.6
127.03924	14.1
129.07005	16.1
131.08556	16.1
133.10141	17.1
135.08038	10.3
145.06491	10.2
147.08066	10.5
147.11607	11.1
149.09605	14.2
175.11157	11.4
184.07323	8.7
189.11235	10.5
191.98059	6.8
193.12247	14.1
230.41747	6.5
267.15924	44.6
290.60004	6.7
332.75418	6.9
356.75439	7.0
367.22659	16.5
385.23898	36.7
403.24588	13.3
403.58969	7.8
441.26291	14.2
459.27438	100.0
470.09210	7.9
477.28430	74.0
575.85614	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	595.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
65.03929	0.9
65.93779	0.5
67.05489	0.7
68.99777	5.9
70.01596	0.9
70.01984	1.8
81.03409	2.8
91.05470	1.0
95.04945	1.6
99.04468	1.1
105.03336	0.8
109.02879	4.4
111.00803	6.2
111.04447	1.6
119.04925	1.2
120.58067	0.6
121.02861	1.9
123.04425	24.4
126.19761	0.5
127.03903	100.0
128.04265	0.6
131.04874	0.8
133.02831	1.5
135.04413	2.3
136.72304	0.5
136.82803	0.6
139.03886	56.7
140.04288	0.7
147.04398	10.8
149.02336	2.0
151.03886	23.4
153.01810	0.9
155.03404	1.2
157.02786	0.8
157.06551	1.0
158.94447	0.6
159.04416	1.6
161.05940	2.2
163.03902	3.8
165.05467	5.1
167.03429	3.7
169.06458	0.7
171.04404	1.2
173.06000	0.9
175.03899	16.1
177.05481	4.1
179.03374	30.2
181.04967	1.3
183.04494	0.6
185.05946	2.4
187.03958	0.6
189.05443	2.9
191.03369	10.1
193.04932	3.6
197.06078	0.6
199.03883	1.8
201.05426	3.4
203.03378	22.0
203.07170	0.8
205.04979	1.6
206.05231	0.6
207.06477	1.1
211.04111	0.6
213.05460	3.7
215.03349	0.8
217.04918	4.3
219.06598	1.3
220.76302	0.5
221.04443	0.7
227.03285	0.6
229.04929	3.6
231.06477	1.9
233.04433	4.1
241.04837	2.6
245.04417	6.8
247.05930	0.7
251.05492	1.5
257.04434	10.9
258.05127	1.0
259.05978	2.7
263.05466	8.0
269.04468	4.7
271.06033	2.1
273.07437	0.7
275.02881	0.4
275.05475	22.2
287.05475	52.2
288.05869	1.3
291.08572	12.0
299.05469	12.2
303.08536	1.3
305.06580	10.6
311.05566	1.2
317.06528	11.2
391.07950	0.8
409.09213	5.4
425.08661	12.6
426.08926	0.8
427.10275	4.6
443.09650	3.6
451.10251	1.3
455.09476	0.6
580.07312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01613	0.9
55.01863	2.3
55.12252	0.9
55.34528	1.0
65.03925	1.5
68.99783	7.5
70.63152	3.2
81.03394	2.8
81.26857	1.0
85.02880	3.4
95.04929	1.9
97.02873	2.2
99.04477	1.2
103.75008	1.0
105.03388	1.4
109.02856	3.3
111.00804	7.4
111.04436	2.0
111.87918	0.9
119.04946	2.6
121.02852	1.4
123.04419	38.8
127.03902	100.0
131.04872	1.5
133.02837	1.2
135.04427	4.5
139.03886	81.6
145.04974	1.4
145.06383	1.0
147.04398	11.7
147.91078	1.0
149.02321	4.1
151.03889	31.5
153.05408	1.1
155.03355	1.2
157.06485	1.6
159.04416	1.6
161.05939	3.8
163.03900	11.5
165.05453	6.6
167.03397	6.1
171.04395	2.0
173.06036	1.6
175.03891	17.6
177.05486	6.1
179.03380	32.5
179.06726	1.3
181.04916	2.9
185.05948	2.3
187.03831	2.3
189.05453	6.2
191.03374	15.6
193.04933	4.2
199.03955	1.8
201.05495	6.1
203.03366	25.8
205.04958	1.3
207.06448	1.2
213.05508	5.4
215.03372	1.1
217.05014	4.8
224.04645	1.3
225.05411	1.2
227.03296	1.6
229.04947	5.9
231.06462	4.1
233.04393	8.0
241.04959	3.2
243.06500	1.1
245.04366	12.0
247.05977	5.1
251.05525	1.6
253.05017	1.1
257.04431	19.4
259.05984	4.7
263.05527	12.9
269.04489	6.5
271.05908	3.6
272.06442	1.4
272.71729	1.0
275.05472	30.8
287.05466	59.0
288.05826	1.5
291.08603	11.0
299.05417	17.4
301.07101	1.3
303.08679	2.1
305.06525	11.7
311.05435	1.5
317.06570	16.0
329.06769	1.4
391.07535	1.3
407.07730	1.5
409.09152	11.3
425.08600	16.5
427.10104	3.9
443.09668	4.6
451.10205	2.0
595.17017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
58.01423	0.9
61.17240	1.0
67.28906	0.9
68.99780	6.2
71.56197	1.1
71.56554	1.7
81.03407	2.4
81.30766	0.8
95.04926	1.5
99.04440	1.2
105.03374	1.4
105.47897	1.0
109.02883	3.4
111.00803	8.5
111.04421	2.1
119.04954	2.1
121.02868	2.4
123.04420	42.0
127.03902	100.0
129.06909	0.9
133.02812	2.6
135.04390	3.5
137.02303	1.0
139.03888	87.5
140.04247	1.1
145.06551	1.2
147.04393	12.5
149.02318	3.9
151.03885	26.8
153.01779	2.1
155.03378	1.5
159.04427	2.1
161.05954	3.4
163.03867	11.7
165.05476	7.5
167.03351	7.8
169.04910	1.1
171.04382	2.5
173.05960	2.1
175.03883	17.0
177.05457	6.1
179.03377	36.3
180.03635	0.9
181.04996	2.1
185.05975	1.5
187.03935	1.8
189.05479	5.8
191.03375	17.3
193.04929	5.3
197.05872	1.1
199.03882	2.1
201.05464	6.6
203.03384	24.9
205.04916	2.5
211.03963	1.2
213.05469	6.4
215.03316	2.1
217.04924	5.8
227.03326	1.2
229.04988	6.8
231.06540	3.6
233.04442	9.1
237.50919	0.9
241.04997	2.6
243.06552	1.1
245.04408	15.3
247.05923	2.8
251.05453	1.8
253.05084	1.3
257.04422	20.8
258.05090	2.4
259.05972	4.2
263.05496	13.9
269.04456	7.4
271.05933	4.8
273.07693	1.1
275.05475	34.8
283.05927	1.1
287.05484	57.8
288.05807	2.2
291.08548	13.1
299.05463	23.1
303.08475	1.3
305.06491	10.6
311.05496	2.2
317.06534	17.8
331.38589	0.9
391.08121	1.2
409.09174	15.6
425.08612	18.6
426.08688	1.0
427.10083	3.6
433.08990	1.2
437.10483	0.9
443.09790	6.1
451.10141	2.7
455.09552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
55.01871	1.5
65.03932	1.5
67.05499	1.6
68.99779	7.3
69.05062	0.9
70.56686	3.2
70.57039	1.0
81.03403	4.3
85.02900	1.8
89.03952	1.3
91.05449	2.5
91.35507	1.0
93.03377	1.6
95.04951	2.9
99.04434	1.2
105.03391	1.5
107.04938	1.4
109.02859	4.6
111.00791	6.8
111.04414	1.8
119.04949	6.1
121.02859	2.7
123.03709	0.8
123.04413	61.0
127.03899	100.0
128.04262	1.7
131.04926	1.4
132.08098	2.7
133.02847	2.7
135.04414	3.8
137.02319	2.4
139.03883	88.8
144.94087	1.2
145.06453	1.8
147.04391	24.7
148.04929	1.2
149.02330	2.7
151.02705	2.0
151.03891	31.3
157.06494	1.2
159.04430	1.4
159.09142	8.4
160.07466	2.5
161.05952	5.6
163.03889	12.7
165.05446	10.8
167.03406	2.2
171.04385	1.7
175.03874	19.8
177.05423	7.5
179.03381	49.1
181.04916	2.9
185.05975	2.3
187.03912	1.7
189.05449	6.6
191.03389	10.7
193.04880	8.2
197.06047	1.7
199.03883	2.5
201.05420	5.3
203.03371	33.9
205.05138	1.2
207.06459	1.7
213.05437	6.2
215.03387	2.1
217.04955	7.8
221.04483	1.2
227.03288	1.8
229.04976	6.1
231.06516	3.1
233.04301	5.1
241.04912	6.3
245.04419	21.6
253.04750	1.3
257.04425	19.6
257.06967	2.1
258.05066	2.0
259.05890	4.9
263.05533	10.2
269.04480	7.1
271.06049	5.5
273.07541	2.4
275.05487	22.3
281.04633	1.7
287.05466	84.9
288.05783	1.9
291.08527	13.7
299.05457	21.5
299.08527	2.1
303.08719	2.9
305.06503	10.9
311.05527	2.7
317.06525	14.3
343.04419	2.0
409.09100	23.2
421.08960	1.9
425.08603	18.3
427.10306	8.5
433.09921	3.0
439.10178	5.0
443.09647	2.3
451.10153	7.0
463.08777	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.05492	1.6
57.03429	13.9
59.04986	1.6
59.49323	1.5
61.02932	1.5
69.03426	14.5
69.44032	2.5
69.44429	11.8
71.04988	79.5
73.02907	11.0
75.04455	3.6
83.04979	8.4
85.02898	85.3
98.21532	1.7
99.04440	4.0
111.04443	6.4
117.05484	9.9
122.42520	1.4
127.03896	3.0
129.05487	25.4
137.02327	11.7
139.03882	1.7
140.36070	1.5
145.05019	1.8
147.06485	6.5
153.01831	3.3
155.59483	1.4
163.03964	1.9
163.06003	11.8
165.01839	4.4
173.17690	1.5
183.02905	1.4
187.60233	1.5
195.02927	1.8
201.05397	1.8
229.04996	5.7
239.08926	2.5
259.06323	1.6
287.05441	9.7
299.05515	4.4
302.04083	2.2
303.04962	100.0
315.04910	21.3
316.05862	3.9
318.72427	1.6
327.04855	9.2
329.06409	3.5
341.06442	6.9
343.08224	1.8
345.06030	52.2
353.06516	3.0
367.07999	3.7
369.05972	18.5
395.07718	12.0
413.08646	38.5
431.09622	17.6
435.34998	1.6
449.10764	50.2
472.55475	1.7
595.15814	2.1
609.44312	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	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01851	0.2
57.03432	1.1
59.56321	0.2
61.02924	1.3
66.27845	0.2
68.99786	0.5
69.54777	1.8
71.04984	10.3
73.02898	0.6
75.04446	0.5
83.04969	0.6
85.02894	12.6
87.04452	0.5
91.03935	0.7
95.04926	0.3
97.02924	1.0
105.03374	0.4
107.04971	0.3
109.02885	0.3
111.00783	0.7
111.04419	0.6
121.02852	2.4
121.03642	0.3
127.03878	0.5
129.04597	0.3
129.05464	3.2
133.02855	0.5
137.02299	0.6
139.03828	0.3
145.04901	0.3
147.04362	0.5
147.06500	1.0
153.01805	3.3
157.06488	0.2
165.01822	1.6
179.91986	0.2
183.02884	0.8
213.05385	1.2
215.19670	0.2
231.06514	0.5
241.04974	0.8
258.05182	0.6
269.04260	0.3
287.05457	100.0
288.05780	2.7
299.05362	0.3
329.06546	0.5
353.06198	0.3
449.10706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03939	0.2
55.05504	0.3
57.03430	1.8
61.02906	0.5
67.58639	0.2
68.99778	0.5
69.03403	1.2
69.44197	1.4
69.44620	0.6
71.04984	10.8
73.02889	0.5
75.04457	0.5
81.03404	0.4
83.04976	0.6
85.02894	14.0
87.04479	0.3
95.04944	0.2
97.02888	1.1
99.04428	0.3
103.03942	0.2
107.04984	0.4
109.02853	0.5
111.00798	0.4
111.04411	0.3
116.48512	0.2
121.02837	1.7
127.03863	0.8
129.04604	0.3
129.05473	3.3
129.06941	0.2
133.02829	0.3
137.02306	0.6
144.74916	0.2
145.04932	0.6
145.06462	0.2
147.04405	0.5
147.06503	1.4
153.01801	3.0
157.06534	0.4
162.65233	0.2
165.01813	1.3
183.02834	0.8
193.84636	0.2
213.05450	0.8
231.06419	0.5
241.04961	0.6
258.05203	0.7
259.05908	0.5
287.05453	100.0
288.05759	2.7
299.05389	0.2
449.10678	0.6
576.58142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29219	1.0
53.03925	2.6
55.01846	1.3
55.05507	8.9
57.03426	8.0
57.07051	1.7
65.03913	2.1
67.05498	36.6
69.07058	6.9
71.04985	2.2
79.05067	1.2
79.05489	19.4
81.03411	11.5
81.07049	37.0
83.08603	3.2
85.02888	2.9
85.06528	1.5
91.05479	10.4
93.07034	22.7
95.04957	1.7
95.08038	1.9
95.08604	25.8
97.06506	1.2
98.97852	1.9
98.98461	30.5
105.07044	7.1
107.08580	12.7
109.02869	11.0
109.10144	9.6
116.99422	1.5
117.07001	4.0
119.08560	8.4
121.10126	10.5
123.04418	1.1
123.11684	3.4
127.03895	4.4
127.50119	1.2
130.06905	1.2
131.08549	3.4
132.09004	1.5
133.10106	4.2
135.11665	6.9
139.03850	1.5
145.10121	2.8
147.11644	2.1
149.13229	3.2
155.01077	3.2
159.11719	1.5
161.13260	1.8
163.05981	1.4
163.14751	1.4
168.55843	1.3
173.02081	2.3
175.14752	1.1
243.21010	2.2
261.03638	9.8
261.22122	6.0
273.26080	1.2
287.05347	2.2
295.20264	1.5
317.24786	1.4
335.07355	2.7
335.25757	100.0
336.26126	3.3
362.74756	1.3
446.65085	1.2
617.49573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.9
62.43891	2.1
65.03928	2.4
68.04134	1.8
68.99776	3.3
70.02956	3.7
70.13470	4.6
70.13864	4.3
74.00665	2.1
83.06081	10.9
84.04491	23.2
93.03346	2.0
97.17332	1.9
99.05563	2.3
107.04944	2.4
109.07625	3.9
111.04444	5.4
112.03951	13.2
123.04434	8.4
127.03891	11.1
128.04237	2.1
129.06586	20.3
130.04967	37.9
135.02631	3.8
135.04402	6.3
136.02187	2.2
137.00594	3.2
137.02266	2.2
139.03880	88.6
140.04182	3.9
145.06055	17.6
147.04391	5.4
148.05174	11.0
149.00583	11.0
151.02074	2.6
151.03889	6.4
153.03674	4.9
153.06609	5.5
155.01587	31.1
155.08142	6.9
162.03745	3.8
162.05492	5.8
163.02139	11.3
163.03893	44.1
163.65587	1.8
164.04323	2.4
165.00053	5.5
167.01613	7.7
167.03358	1.7
175.06310	4.3
179.01648	15.7
179.03380	6.2
181.03146	22.6
181.06085	2.6
182.02625	4.2
183.01019	4.0
184.04190	2.6
190.03224	5.1
191.01564	2.0
191.03319	1.7
196.04250	8.0
199.07155	7.1
203.03430	2.4
205.29292	1.8
208.04254	30.1
209.02707	6.9
219.01088	3.6
220.04498	2.2
226.03259	2.2
226.05350	7.0
229.03140	2.2
257.02670	7.7
257.07465	1.9
270.05182	9.5
275.05615	2.3
282.04285	7.0
285.02155	4.7
287.05286	4.7
288.00580	2.0
288.05896	5.5
299.06964	29.5
303.03146	94.8
304.03424	3.5
311.06909	100.0
312.05347	4.0
329.04654	6.5
329.07993	22.2
364.19901	2.1
383.08926	19.5
410.08975	2.4
426.08981	2.4
440.11075	2.4
449.10022	21.8
458.12296	30.4
503.11078	19.4
521.12201	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	597.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63853	0.2
52.84485	0.2
55.01865	0.3
57.03425	3.3
61.02920	3.9
65.03926	0.3
67.05498	0.3
68.99774	0.7
69.03419	2.8
70.79766	0.6
71.01342	0.5
71.04972	0.2
73.02910	6.8
78.14240	0.2
81.03401	0.5
85.02899	4.7
91.03950	2.1
93.03383	0.2
93.64371	0.2
95.04953	0.2
97.02879	4.9
99.04429	0.3
109.02861	1.0
111.00785	0.8
115.03926	2.8
121.02853	0.9
123.04380	0.4
127.03910	1.8
133.04936	0.5
137.02319	5.0
137.03381	0.3
139.03877	0.3
139.79706	0.2
145.04915	1.1
147.04376	0.4
149.02312	0.6
153.01820	3.9
159.04414	0.3
161.02197	0.2
163.03896	1.0
163.06046	0.5
165.01813	2.1
173.05980	0.5
177.01949	0.2
179.03329	0.3
183.02893	0.6
183.04379	0.3
187.03922	0.6
191.03456	0.4
195.02824	0.4
197.26300	0.2
201.05428	1.9
205.04962	0.2
215.03360	0.3
219.02789	0.3
229.04918	4.0
229.06989	0.4
243.02794	0.2
243.06494	0.2
247.05998	0.7
257.04425	3.2
261.03918	0.3
274.04691	0.8
275.05411	0.3
285.03857	1.1
299.05502	0.6
302.04187	0.6
303.04956	100.0
304.05325	1.7
313.07123	0.3
315.04938	7.0
315.08585	0.3
316.05743	0.9
327.04956	1.8
329.06506	0.6
341.06558	1.5
345.06000	7.1
353.06705	0.3
355.08099	0.6
357.06076	0.4
365.06216	0.3
369.06003	4.5
381.05954	0.8
393.06058	0.2
399.07108	1.0
411.07181	1.3
429.08167	1.6
435.09293	0.4
447.09204	2.5
465.10223	6.5
466.10858	0.2
597.14355	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	597.144
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03439	3.8
59.08540	0.7
60.98945	0.8
61.02917	3.8
68.99780	0.9
69.03410	3.1
69.82325	0.6
71.32542	1.2
71.32871	1.2
73.02914	7.1
78.73151	0.7
79.33743	0.7
85.02882	5.3
91.03933	1.8
97.02874	4.2
109.02840	0.9
111.00808	1.0
115.03922	2.7
121.02824	1.0
127.03951	1.4
137.02330	4.5
153.01785	4.1
155.22853	0.8
155.90041	0.7
163.06020	1.4
165.01810	1.7
201.05276	0.7
217.74532	0.8
229.04979	4.3
257.04410	3.5
273.57233	0.7
285.03925	1.5
303.04962	100.0
304.05222	0.8
315.04968	2.6
341.06674	1.0
343.07230	0.8
345.05798	3.7
369.05911	2.8
390.71240	0.8
399.06970	0.9
447.09320	1.9
465.10355	2.7
523.58258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1442
Annotation	Peltatoside
Peak:m/z	Relative Intensity
52.84726	0.3
54.14252	0.4
57.03417	1.6
61.02896	0.9
66.27686	0.4
68.99765	0.4
69.03410	1.2
71.04967	0.4
71.54372	0.7
71.54740	0.6
73.02540	0.7
73.02910	8.0
82.06589	1.1
84.04486	1.1
85.02887	2.1
96.04503	1.1
97.02885	0.8
97.06535	0.4
107.04932	0.6
107.08582	0.6
108.04468	1.0
109.02815	0.4
110.06021	1.1
111.00779	0.7
115.03924	1.0
117.43142	0.5
119.04900	0.4
121.02894	0.9
124.03960	0.7
126.05486	0.5
127.03882	1.2
131.05086	0.4
135.04401	0.6
136.03915	0.8
137.02354	2.9
137.06079	0.5
137.07051	2.0
139.03867	1.5
147.04420	1.1
151.11107	0.5
153.01830	2.7
163.03896	1.7
165.01823	1.5
165.06560	0.8
182.20625	0.6
183.02890	0.8
187.03876	0.6
191.03181	0.5
193.06087	1.0
195.02919	0.8
201.05470	1.1
209.15305	0.9
209.65643	0.4
211.07103	8.3
215.14156	0.5
219.02914	1.0
229.04927	3.4
247.06009	1.0
255.98515	0.5
257.04477	2.3
261.03928	0.9
274.04617	0.7
285.03934	0.9
303.04962	100.0
304.05441	1.0
315.04874	0.5
327.05051	0.5
381.10104	0.5
450.01761	0.4
459.12857	0.5
465.04178	0.8
465.10312	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	597.1807
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.63164	8.4
57.03442	8.9
67.05502	9.7
71.53194	16.7
79.05488	10.2
81.03392	11.0
85.02885	24.2
91.05458	17.3
95.04945	11.9
97.02888	8.7
107.04939	16.3
109.02854	22.0
112.05386	12.1
117.33391	7.7
121.02859	23.3
121.06431	12.5
123.04403	25.3
127.03940	11.5
131.04910	14.3
133.10077	9.8
135.04370	19.7
137.02325	12.6
139.03880	15.7
147.04356	35.7
149.02243	8.4
151.03845	11.0
161.02286	8.9
163.03868	31.8
165.01842	8.1
165.05551	10.6
175.03806	9.9
177.01790	17.2
182.76622	7.5
187.03799	13.4
189.01717	15.6
191.03387	16.9
195.02847	28.1
203.03329	18.0
205.04860	10.8
207.02850	34.5
219.02838	58.5
223.02332	9.4
225.03867	17.4
229.04916	29.6
231.02852	40.8
232.46472	7.3
233.04390	16.9
237.03946	22.3
243.02837	25.1
249.03848	30.8
255.02850	10.7
257.04428	15.0
261.03909	69.7
269.04407	10.7
271.05988	10.5
273.03882	29.7
285.03931	47.4
287.05530	10.4
291.04996	20.0
297.03897	18.6
297.07834	9.7
303.04898	100.0
309.07397	10.6
315.04913	19.7
321.05923	18.2
327.04932	44.1
327.08548	20.1
339.07980	18.4
345.05719	19.4
351.08694	19.1
363.07300	28.5
381.09473	26.3
393.09515	27.1
405.08536	29.1
411.10727	11.7
423.10315	14.6
429.11514	19.4
441.10745	18.8
447.10822	17.7
459.12292	11.7
465.10736	12.0
483.13004	11.7
495.12488	21.2
543.15527	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	597.3028
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03928	2.0
55.05505	12.9
57.03428	8.4
57.07069	3.1
65.03929	1.6
67.05161	2.1
67.05501	30.4
68.96543	1.6
69.03417	1.6
69.07063	15.7
70.89390	4.0
71.08620	1.6
79.05489	10.4
81.03419	8.7
81.07046	30.5
83.08617	7.6
85.02873	2.1
91.05452	7.8
93.07027	8.6
94.53492	1.2
95.04954	1.5
95.08597	23.0
97.10155	3.2
98.98457	23.5
105.07013	5.7
107.08582	6.2
109.02874	6.6
109.10153	9.3
111.08027	1.7
119.08605	3.9
121.10136	5.6
123.11671	3.5
131.08574	1.5
133.10104	3.5
135.11670	3.4
147.11661	3.4
155.00977	2.7
161.13240	1.6
163.05914	2.3
245.22543	2.0
261.03708	6.0
263.23599	2.6
303.04929	3.6
337.27338	100.0
338.27560	1.4
435.07040	2.1
449.08560	1.6
489.47156	1.4
507.12628	2.9
535.12762	1.7
597.12390	18.7
597.39313	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	598.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
60.04528	2.6
65.94853	0.5
69.04552	0.8
69.07047	1.0
70.02949	0.7
71.54794	0.9
72.04502	0.5
75.05604	0.7
81.03422	0.7
81.07030	0.8
83.40669	0.4
86.09692	100.0
91.05463	1.0
93.07050	0.7
98.09674	9.5
99.05563	3.5
100.11227	0.6
107.04953	0.9
109.04018	0.6
110.09679	0.7
111.05572	1.0
115.05042	0.9
117.06579	2.2
121.10171	0.5
126.09155	1.3
127.05013	7.0
127.12305	0.9
129.06630	0.5
137.06026	0.6
138.82684	0.4
139.05014	3.8
143.11775	16.6
143.44662	0.4
144.07661	0.8
145.06046	4.5
152.27184	0.4
154.15892	5.5
155.04460	0.9
155.11749	3.0
156.07684	2.9
157.06123	0.8
162.08722	1.2
163.57654	0.5
166.06065	0.6
167.11754	3.3
171.11264	8.2
181.04965	0.8
181.09755	1.0
183.11264	3.2
183.18600	0.5
184.07138	7.6
184.08708	0.5
185.12825	7.3
188.13985	1.0
194.12875	0.6
195.11272	5.2
199.18123	1.5
201.09814	1.4
202.08174	2.9
211.18025	21.7
212.13985	1.4
213.10129	1.0
213.12227	4.6
221.16443	0.7
222.12390	0.7
224.13902	1.3
227.17450	1.0
228.13383	2.2
230.14998	0.5
239.17493	8.8
239.19745	0.7
240.13397	3.0
241.09325	2.0
242.14972	0.6
251.15062	0.7
252.13411	8.2
252.15854	0.6
258.14514	1.9
259.10294	0.6
266.18604	0.8
269.16071	4.4
270.14432	6.6
279.14490	0.8
284.19653	2.2
286.07190	0.5
287.17120	2.8
291.14462	0.6
296.19699	2.1
297.15445	3.2
304.05228	1.0
309.15588	1.7
313.22186	0.7
315.16467	3.3
326.17993	2.2
327.16574	1.1
337.14963	0.9
337.22311	1.0
341.21786	2.0
343.23325	0.5
344.19336	1.3
352.25879	1.9
353.21857	1.0
354.17603	2.5
355.23254	3.0
365.21799	1.8
371.23038	0.6
372.18756	1.7
382.24561	1.6
383.22815	7.2
393.21600	0.5
398.23697	0.6
400.25598	2.2
409.28137	1.6
410.23938	4.1
421.25674	0.8
422.23914	2.1
426.30713	1.0
428.25174	2.3
439.26785	1.5
440.25156	3.2
449.25101	2.4
450.23456	0.6
454.30154	1.2
457.27582	6.4
467.26071	14.4
468.31781	0.9
478.30252	1.4
485.27197	10.0
496.31097	4.5
508.13046	0.5
513.34290	0.6
523.32434	0.9
525.33856	1.6
534.34052	0.6
535.32422	1.4
541.33624	0.6
544.32617	1.1
550.33246	0.6
552.34955	4.4
553.33618	3.8
562.33319	5.4
570.36005	15.4
580.25092	1.1
580.34393	23.1
581.34351	0.7
598.12665	2.4
598.35358	5.9
599.28748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01858	0.8
55.47326	0.6
63.59133	0.6
69.25932	7.2
73.02885	0.5
73.47688	0.6
79.05486	1.3
81.03403	1.2
81.08546	0.5
85.02873	1.8
94.12029	0.5
95.01308	0.8
95.04958	1.5
97.02913	0.8
103.03922	0.6
107.04945	100.0
108.05276	0.9
109.02847	1.3
121.02866	1.2
121.34435	0.5
123.04385	0.8
131.04912	1.4
139.03903	0.7
151.03862	1.2
157.06438	0.6
163.03897	2.1
171.04407	0.8
173.05981	1.3
175.03909	2.3
177.05452	1.8
181.04950	1.2
185.06013	0.7
187.03856	1.8
189.05490	1.4
191.03346	1.4
193.04958	2.6
199.03915	0.8
201.05472	1.5
205.04924	3.0
213.05463	0.8
217.04956	4.6
219.06551	1.8
221.04369	1.4
223.06017	1.8
223.48679	0.6
227.11845	0.7
229.04938	2.1
231.06519	1.9
233.04466	0.7
235.05963	3.0
241.05017	1.4
243.06586	0.9
245.07980	0.7
247.05981	4.0
259.05981	7.1
267.06302	0.7
271.05997	3.8
273.07593	1.1
277.06998	1.3
279.35327	0.8
283.06085	1.7
285.07553	1.3
287.09164	1.1
289.07071	2.5
297.07590	0.8
299.09164	1.4
301.07053	2.4
311.09177	1.0
313.07132	2.6
317.10269	1.7
325.06903	2.7
329.10214	3.3
341.10291	3.4
343.08063	0.7
353.10089	5.4
365.10220	4.2
377.10077	1.6
383.11194	6.0
389.10178	2.0
395.11246	8.1
407.11270	6.1
413.12280	2.4
419.11203	6.0
425.12534	2.8
431.13385	8.4
443.13037	2.1
449.12082	5.4
461.12619	3.4
467.13147	3.7
473.12540	1.1
479.13199	3.2
485.14352	1.6
491.13403	1.6
497.14359	4.8
509.14420	1.8
527.15521	1.6
545.16272	0.9
627.15442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74431	0.4
53.03940	1.1
55.01858	1.5
55.82238	0.4
57.03419	0.6
64.28356	0.4
66.45225	0.4
69.03423	1.8
70.37929	0.7
70.38319	1.2
73.02910	0.6
79.05457	1.0
81.03411	0.8
82.12805	0.5
84.09708	0.4
84.96846	0.4
85.02904	5.5
90.26077	0.4
93.07076	0.5
95.04967	1.1
97.02881	1.7
103.03957	0.7
107.04945	100.0
108.05283	1.5
109.02872	1.1
121.06504	0.8
123.04410	0.5
127.03909	0.9
131.04942	1.2
139.03880	1.9
143.26299	0.4
145.06438	0.7
147.04344	1.3
149.05962	2.3
151.03896	4.0
159.04510	0.5
161.05869	0.5
163.03876	2.4
165.05424	0.6
169.04956	1.3
171.04376	0.7
173.06020	1.1
175.03931	0.9
177.05399	0.6
181.04961	4.1
186.72414	0.5
189.05504	1.0
191.03328	0.5
191.07054	0.5
193.04956	7.5
205.04915	3.1
207.06520	1.8
211.05933	4.9
217.04962	2.5
219.06589	0.9
223.06104	0.9
229.04970	1.5
231.06491	0.8
235.05951	7.2
235.08060	0.6
241.04892	1.0
247.06036	4.4
249.11041	0.6
259.05963	4.5
271.06006	1.3
275.09195	3.4
277.07089	1.3
283.06219	0.7
287.09106	4.8
289.07135	0.7
295.08627	0.5
299.09100	5.2
301.07144	1.4
311.09161	0.7
313.07236	0.7
317.10202	11.7
323.09161	0.7
325.06833	0.7
329.10196	1.0
341.10187	12.1
353.10172	9.4
365.10132	4.9
371.11353	1.4
383.11172	6.9
389.10352	0.7
395.11285	2.0
401.12259	4.3
407.11295	1.7
413.11987	0.7
419.13306	4.3
425.12302	0.9
431.13269	2.1
437.14423	0.9
443.13287	0.6
449.12253	1.7
461.12997	0.9
467.13495	0.6
479.13666	0.9
485.14627	0.7
497.14230	0.8
509.14471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16571	0.4
50.99150	0.4
51.02366	0.4
51.30691	0.4
53.03917	1.2
55.05503	3.4
55.57401	0.4
57.07068	6.3
57.76635	0.4
59.05005	2.5
59.05252	0.5
59.05353	0.3
63.51753	0.4
65.03905	1.3
67.05498	7.0
69.03417	7.2
69.07065	3.0
70.99592	0.9
70.99930	0.8
77.03906	0.5
79.05486	7.8
81.03394	0.9
81.07046	11.2
83.04984	2.8
83.08562	1.3
85.06534	3.0
91.05470	13.4
93.07033	19.5
95.04961	6.4
95.08594	11.8
97.06525	2.2
101.07083	0.6
102.14859	0.4
103.05447	0.9
105.04482	0.7
105.07018	23.3
105.07733	1.1
107.04925	1.1
107.08578	11.3
109.06511	5.7
109.10142	4.9
111.04441	0.6
111.08044	1.2
115.05428	1.7
116.06201	0.7
117.07007	5.5
119.04869	0.4
119.08562	25.4
121.06494	3.9
121.09299	0.7
121.10130	13.4
122.03601	0.4
123.08061	11.6
123.11689	1.0
125.05997	3.4
125.09603	0.6
128.06226	3.3
129.06982	4.2
130.07735	1.8
131.07678	0.7
131.08562	8.4
132.09297	0.7
133.06485	1.9
133.07401	0.5
133.10104	12.5
135.07085	0.7
135.08037	10.9
135.11653	4.0
137.05946	0.7
137.09595	12.1
138.92154	0.4
139.07510	2.1
141.06958	2.1
142.07762	5.4
143.07448	0.7
143.08543	10.3
144.09340	2.1
145.06427	1.1
145.10107	15.1
147.08025	22.2
147.11646	3.4
148.08861	0.8
149.09605	3.8
151.06387	0.7
151.07529	10.1
151.11150	0.5
153.06903	1.1
153.09077	0.6
154.07797	0.8
155.08514	5.6
156.09325	5.0
157.10110	16.3
158.10840	0.6
159.08022	3.6
159.11661	9.6
160.08749	0.5
160.12366	0.7
161.09599	4.5
161.13225	5.0
163.11151	6.1
165.09097	49.1
166.07883	0.5
167.08560	2.0
167.10570	0.7
168.09344	2.4
169.10106	7.1
170.10881	3.4
171.08037	0.8
171.10214	0.6
171.11661	7.9
172.08736	0.8
172.12430	0.6
173.09602	4.2
173.13232	3.1
174.10320	0.6
175.11131	3.0
175.14781	1.8
177.09056	1.6
177.12741	1.0
179.08514	1.7
179.10681	0.9
179.14284	0.9
180.09309	1.4
181.10155	3.7
181.12198	6.7
182.10866	1.8
183.11681	10.3
184.12471	0.9
185.09595	1.6
185.13229	6.2
186.10268	0.8
187.11134	2.2
187.14787	1.4
188.11993	0.9
189.12761	3.6
191.10619	3.7
191.14259	1.2
192.11356	0.9
193.10109	1.8
193.12018	1.0
194.10841	1.5
195.11662	3.9
195.13641	1.0
196.12431	2.2
197.09578	0.6
197.13213	4.5
199.11162	2.8
199.14780	1.3
201.12709	2.1
203.14297	20.2
205.10098	0.9
206.10808	0.6
207.11647	2.2
207.13776	5.1
208.12404	0.8
209.13295	4.5
209.15154	0.8
210.10416	0.6
210.13954	0.8
211.11171	1.7
211.14767	5.0
212.11974	0.5
212.15533	0.7
213.12849	2.3
215.14261	1.4
217.12148	0.5
217.15790	0.7
219.11842	0.8
219.13756	0.9
220.12337	0.8
221.15332	100.0
222.13885	0.7
222.15810	0.9
223.11145	0.9
223.14792	1.6
225.12724	1.7
225.16319	1.2
227.14284	1.3
227.17851	1.1
229.12242	0.8
229.15884	1.7
231.13678	1.2
233.13191	1.3
233.15369	1.9
234.13902	0.7
235.11165	0.5
235.14694	1.5
235.16864	1.0
237.12733	1.0
237.16417	0.9
239.14273	0.8
239.17909	1.0
241.15804	0.7
243.13789	0.9
245.13257	0.6
247.14844	0.9
247.16930	17.3
248.15533	0.7
249.12614	0.6
249.16412	0.8
251.14157	0.6
253.12227	0.4
253.15884	1.1
255.17369	0.4
257.15341	0.6
261.18539	1.1
263.17996	1.1
265.15805	0.7
269.19150	0.8
271.16827	0.7
273.18698	0.5
275.17615	0.5
281.18787	2.1
283.17111	0.5
285.18594	0.8
286.19116	1.1
287.20044	7.2
289.19458	0.9
293.18875	0.6
299.20084	5.5
301.21710	2.3
307.20370	0.5
309.18356	0.6
309.21945	0.4
311.19928	1.6
313.21573	1.9
325.21603	1.8
327.22995	2.0
335.20111	0.7
347.23730	0.7
363.23224	0.6
365.24692	4.9
373.25299	1.0
391.26279	8.1
413.26895	1.2
415.80914	0.4
419.29404	2.8
425.30359	0.5
427.28436	6.2
441.30023	0.5
453.30078	1.4
507.34711	5.8
519.34540	3.8
525.33521	0.7
543.34985	0.9
563.39111	0.5
581.39777	2.2
599.13000	0.9
599.40887	52.3
600.41193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62376	0.9
51.02381	1.0
51.23659	0.9
53.03936	3.0
55.01854	1.7
55.05506	8.7
56.94837	0.9
57.07072	6.1
59.04983	3.8
65.03922	2.5
65.87449	1.0
67.05499	15.3
69.03415	10.2
69.07063	9.2
69.91607	4.2
79.05483	14.5
81.03420	2.7
81.07049	20.1
82.39394	0.9
83.04980	10.2
83.08617	7.6
85.02876	1.3
85.06538	6.5
87.04469	1.5
91.05468	22.3
93.07034	29.9
95.04964	14.2
95.08591	17.8
97.06527	5.7
97.10167	2.3
98.21339	1.4
103.05437	1.4
105.04585	1.0
105.07018	40.3
105.31302	0.8
107.04975	2.1
107.08585	30.7
109.06509	11.6
109.10155	11.9
111.04448	1.9
111.08054	1.6
111.11662	0.9
113.09636	1.1
114.69482	0.9
115.05467	2.0
116.06229	1.1
117.07008	8.5
119.06100	1.5
119.08566	37.3
121.06506	9.2
121.10130	31.1
123.08033	15.5
123.11705	3.6
125.05991	2.7
125.09619	6.8
128.06227	5.7
129.06978	10.7
130.07765	3.7
131.08553	20.5
133.06483	4.0
133.10114	21.4
135.08049	15.1
135.11702	5.9
137.05969	2.8
137.09627	8.1
139.07541	2.2
139.11162	2.1
141.06982	4.3
142.07756	11.8
143.08539	23.9
144.08334	1.2
144.09306	7.8
145.06480	1.4
145.10104	25.2
147.08009	14.7
147.11679	8.1
149.09578	15.0
149.13245	1.2
151.07549	10.7
151.11221	1.4
153.06960	2.7
153.09106	1.9
154.07761	1.9
155.08527	11.3
155.10597	1.2
156.09326	10.1
157.10109	28.5
158.07240	1.5
158.10942	3.4
159.08035	11.1
159.11659	15.4
160.08902	2.0
160.12325	1.1
161.09612	7.6
161.13286	4.1
163.07681	1.2
163.11151	8.5
165.06987	2.9
165.09097	22.6
166.07782	1.1
167.08553	4.2
167.10658	15.3
168.09344	4.7
169.10101	15.0
170.10899	5.8
171.08119	1.9
171.11678	19.0
172.08755	1.3
172.12476	1.2
173.09662	5.7
173.13257	7.7
174.10306	1.5
175.11195	7.1
175.14854	2.4
177.09128	3.2
177.12772	2.7
179.08554	6.5
179.10651	2.0
180.09315	3.4
181.10112	10.0
181.12234	4.3
182.10898	5.9
183.11652	15.7
185.09657	3.8
185.13234	8.3
186.10432	1.3
187.11176	4.6
187.14891	3.0
189.11217	1.8
189.12753	7.1
189.16411	1.1
190.13509	2.3
191.10672	2.5
191.14337	3.1
192.09352	2.7
192.11459	1.4
193.10168	7.5
193.12231	3.0
194.10890	4.7
195.11671	11.3
195.13487	1.7
196.12471	3.5
197.09590	1.7
197.13258	13.0
199.11211	4.5
199.14851	4.2
201.09068	1.1
201.12634	2.3
203.08641	1.8
203.14267	8.7
205.10187	2.6
205.12210	1.1
206.10915	2.6
207.11693	7.8
207.13808	11.6
208.12517	3.2
209.09778	1.5
209.13263	11.9
209.15367	4.5
210.13982	2.8
211.11186	3.5
211.14803	5.5
213.12790	4.3
213.16388	1.6
215.14304	3.4
217.15886	1.9
218.10924	1.7
219.11745	4.6
220.12578	2.4
221.13283	6.8
221.15311	44.4
222.13898	1.2
223.11281	2.3
223.14821	6.1
225.12779	4.3
225.16394	4.5
227.14453	2.2
229.10147	1.8
229.12253	1.5
231.11673	2.3
232.12415	1.5
233.13223	5.1
233.15317	29.6
234.13924	1.6
235.14839	5.9
235.16896	1.5
236.15564	1.8
237.12706	2.3
237.14781	2.5
237.16673	2.0
239.14366	2.0
239.17946	1.3
241.15892	1.6
243.11626	1.8
245.13327	2.8
246.14117	1.9
247.10991	1.1
247.14871	3.6
247.16994	3.1
248.15778	1.7
249.16486	3.6
251.14275	1.8
251.18028	2.2
257.19180	1.1
258.14035	1.4
259.14722	2.3
260.15518	1.8
261.16382	2.7
263.18048	3.0
267.17535	2.0
269.19022	2.8
271.17184	1.4
273.16199	2.4
273.18799	2.3
274.19409	1.8
275.17703	1.4
277.19681	1.2
281.18973	8.6
284.16125	1.1
285.16196	1.6
286.19275	2.7
287.20148	2.9
289.19547	1.7
295.20377	1.9
299.20096	4.5
307.20679	1.7
311.20035	1.9
312.20987	1.5
313.19193	1.3
349.21765	1.3
352.24222	1.4
355.24298	1.1
359.23633	1.4
364.23962	4.2
365.24811	2.4
373.25174	2.7
377.24780	2.0
383.61880	1.1
391.26361	4.9
415.28085	1.4
441.30023	3.4
471.32587	1.4
489.33682	4.0
493.32990	3.3
507.34680	76.6
508.34933	1.8
581.39978	5.7
599.40875	100.0
600.41095	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	28.6
55.28825	8.4
57.07074	11.6
58.79498	8.7
60.56594	8.5
64.42873	9.8
67.05484	32.4
69.03406	11.9
69.07063	13.5
69.22860	57.0
69.23284	42.5
79.05466	25.3
80.38515	11.0
81.07030	26.6
83.04955	14.6
83.08602	10.9
85.06514	12.6
89.06027	15.6
91.05474	38.3
93.07019	39.3
95.04929	18.8
95.08585	30.2
97.06487	32.2
105.07011	65.3
106.47466	9.5
107.08571	36.5
109.06474	11.5
109.10135	30.8
111.08061	13.4
113.09589	11.0
117.06985	28.4
119.08551	65.0
121.06560	12.4
121.10121	36.6
123.08054	14.9
129.07024	13.4
131.08527	23.9
133.10088	30.0
135.08020	16.1
137.09610	10.9
139.11143	16.7
143.08516	34.6
144.09354	11.0
145.06487	32.1
145.10091	53.7
147.08020	26.2
147.11646	10.2
149.09573	14.2
151.07484	19.4
155.02594	8.7
155.08513	12.4
155.10622	19.3
156.09264	11.2
157.10117	58.4
159.08035	16.9
159.11649	29.2
160.08780	100.0
161.09492	11.6
165.09113	36.9
169.10075	23.7
170.10869	13.8
171.11642	26.5
181.12149	24.7
182.10912	10.2
183.11627	17.9
187.10999	12.6
195.11710	14.0
201.12650	10.1
203.14223	17.7
207.11679	15.0
209.13271	14.8
221.13263	14.9
221.15282	97.1
223.14792	19.1
234.16214	12.5
247.16956	16.6
254.51804	10.3
285.18475	11.5
286.19058	15.9
287.19995	16.7
299.20087	15.7
300.20386	12.5
312.20697	20.5
325.21680	11.7
352.23950	35.2
365.24585	11.6
393.10330	8.7
394.57269	9.5
440.29172	26.9
520.35406	25.0
600.41241	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.7
55.05499	17.2
56.86473	8.6
57.07060	12.5
57.29918	12.1
62.61143	11.3
67.05495	23.4
69.03396	24.1
69.07066	17.8
69.38177	12.0
69.38498	100.0
79.05479	32.7
81.07053	35.5
83.04939	11.8
83.08607	22.1
89.05991	17.7
91.05472	45.7
93.07048	58.5
95.04952	22.9
95.08591	40.4
97.06509	24.2
97.56618	11.8
105.07012	66.8
107.08578	37.2
109.10160	12.2
113.09576	11.3
114.78770	10.7
117.07005	12.4
119.08576	56.5
121.10096	23.2
123.08062	30.2
125.09629	14.2
128.06187	15.1
129.07011	19.4
131.08527	24.6
133.10071	30.6
139.11110	19.5
142.07771	14.6
143.08517	34.4
144.09277	12.8
145.06429	13.7
145.10139	55.3
147.07982	17.2
147.11682	17.0
149.09636	12.2
151.07545	16.2
155.08560	31.3
156.09386	12.0
157.10112	53.9
158.10786	18.7
159.07986	17.9
159.11676	27.9
160.08842	89.6
165.09081	31.3
171.11678	24.7
173.09589	12.4
175.11191	15.7
181.10095	27.9
181.12250	38.3
183.11670	14.6
185.13226	15.1
189.12576	12.0
194.10948	13.6
195.11702	20.9
197.13194	16.3
199.11134	11.6
201.12703	13.5
203.14325	17.1
207.11606	14.8
207.13765	15.4
208.12434	12.5
208.14409	11.4
211.14827	11.9
221.13306	20.1
221.15186	65.5
223.14786	13.8
223.44539	12.1
247.16826	14.0
263.14401	10.7
286.19101	23.3
299.20007	11.6
312.20694	11.3
352.23938	36.8
440.28989	24.5
520.35498	15.5
600.41071	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05510	7.1
57.07068	7.5
59.05004	2.9
65.03955	1.4
67.05499	12.7
69.03419	8.8
69.07053	5.6
70.62344	1.1
70.99850	1.2
71.00174	1.9
79.05485	13.8
81.07050	19.5
83.04976	4.9
83.08622	2.0
85.06538	3.3
91.05471	22.0
91.06007	1.6
93.07036	32.9
95.04954	6.4
95.08599	20.4
96.08904	1.3
97.06532	3.8
103.05473	1.2
105.07022	37.4
107.08585	21.7
109.06517	10.7
109.10133	9.3
115.05431	2.8
117.07009	10.3
119.08575	38.6
121.06492	4.3
121.10130	20.4
121.10918	1.9
123.08067	15.0
123.11662	1.9
125.05990	3.6
128.06241	3.7
129.06993	7.7
130.07764	4.1
131.08546	17.6
133.06540	1.2
133.10121	23.9
135.08025	11.7
135.11659	7.4
135.65175	1.2
137.09583	14.8
139.11099	1.6
141.06970	2.3
142.07774	6.6
143.08566	14.0
144.09309	4.4
145.10123	26.5
146.10536	1.8
147.08037	24.9
147.11678	5.4
148.08345	1.5
149.09595	4.7
149.13208	1.2
151.07523	13.3
155.08569	4.7
156.09364	5.7
157.10117	19.5
158.10728	3.5
159.08049	2.6
159.11668	15.6
160.12039	1.5
161.09625	3.9
161.13255	6.5
163.11162	7.9
165.07011	2.4
165.09102	48.1
166.09430	3.4
167.08507	3.0
168.09250	3.2
169.10095	10.4
170.10800	3.9
171.11682	11.6
172.12321	1.8
173.09680	2.7
173.13260	7.3
174.10429	1.3
175.11186	5.2
175.14830	6.2
177.09079	1.6
179.08562	3.3
181.10103	6.3
181.12282	7.7
182.10847	3.1
183.11670	10.6
184.12363	1.1
185.09593	2.0
185.13235	7.3
187.11159	2.6
187.14827	5.4
189.12767	5.9
191.10680	1.6
191.14296	3.0
193.10135	2.6
193.12164	1.9
194.10828	3.5
195.11760	5.7
195.13541	1.4
196.12404	2.0
197.13199	6.4
199.11075	2.5
199.14769	1.6
201.12709	2.5
201.16292	1.6
203.14275	19.7
204.14738	1.6
206.10838	2.0
206.12650	1.2
207.11784	2.5
207.13795	6.3
208.12395	1.6
209.13196	4.9
209.15228	2.5
211.11192	1.4
211.14792	3.7
211.93797	1.0
213.12849	1.2
213.16299	1.7
219.13814	1.8
220.12328	1.3
221.13458	3.5
221.15340	100.0
222.15665	8.3
223.14740	3.4
225.16339	2.6
227.14467	2.5
229.15747	1.5
231.13680	1.3
233.13278	1.7
235.14725	2.5
235.16722	1.4
237.16435	2.4
239.18002	2.5
247.16971	3.9
249.16264	1.4
251.17981	1.4
261.16110	1.1
277.19589	1.9
283.20505	2.7
286.19220	2.3
287.20126	6.0
297.22070	1.3
299.20145	2.6
300.20837	3.5
301.21661	5.0
313.21567	2.0
326.21881	2.1
337.21713	1.5
349.25168	1.3
352.23959	2.5
353.24564	2.2
365.24823	1.6
367.26163	7.3
375.26898	1.9
393.27838	4.5
440.29138	1.8
441.29352	3.2
491.35175	10.2
509.35873	3.5
521.36017	3.7
527.23029	1.1
527.35150	1.3
583.41516	12.1
584.42078	1.2
601.42346	32.2
602.42731	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01864	6.1
55.05512	21.3
57.03418	4.9
57.07063	18.4
65.03928	7.7
67.05496	41.1
69.03419	14.4
69.07056	26.5
69.31338	40.5
71.08626	7.7
79.05493	38.9
81.03391	7.7
81.07045	47.9
83.04964	22.9
83.08607	16.0
85.06535	10.2
91.05464	49.1
93.07036	68.2
95.04952	22.7
95.08591	46.7
97.06520	12.3
103.05477	7.7
105.07011	83.8
106.07316	8.4
107.08575	58.6
109.06522	20.9
109.10172	28.0
117.07009	22.2
119.08565	100.0
120.08910	14.6
121.06490	17.4
121.10133	63.5
123.08030	29.4
123.11739	9.2
125.05979	7.4
125.09597	11.1
128.06190	15.1
129.07004	21.6
130.07755	5.5
131.08548	38.7
133.06485	8.5
133.10126	63.1
135.08002	28.2
135.11667	19.6
135.77065	4.3
137.09616	21.3
139.11121	5.6
139.35063	5.1
141.06976	7.0
142.07782	16.9
143.08549	44.4
144.09149	10.2
145.06433	9.7
145.10126	60.4
146.10423	13.9
147.08025	31.8
147.11655	18.4
149.09604	16.3
151.07516	16.3
154.07727	5.7
155.08508	16.4
156.09331	15.7
157.10130	58.5
158.10611	15.0
159.08041	14.7
159.11685	39.7
160.12039	7.1
161.09589	16.9
161.13260	10.0
163.11147	16.9
165.07021	9.2
165.09103	47.7
166.09407	11.0
167.08548	9.4
167.10704	34.9
169.10110	30.7
170.10788	12.6
171.11723	31.1
172.12172	7.4
173.09612	9.5
173.13261	21.4
175.11212	13.0
175.14772	16.4
176.11565	7.6
179.08507	10.3
181.10107	12.9
181.12245	14.9
182.10783	5.8
183.11682	19.0
185.09598	6.7
185.13222	23.0
186.13466	5.1
187.11136	5.5
187.14778	8.3
189.12686	8.0
190.13425	6.0
191.14325	5.3
193.10167	5.7
195.11617	19.1
196.12247	8.7
197.13168	22.1
199.11235	7.1
199.14844	13.0
201.12735	6.8
201.16177	4.7
203.14311	26.2
206.10831	7.1
207.11624	12.2
207.13797	13.6
208.12352	5.2
209.13208	22.8
209.15181	7.7
211.14815	16.8
213.12750	7.0
215.14308	6.7
218.16487	5.5
219.11610	5.7
219.13834	4.8
221.13297	9.8
221.15320	94.2
222.13872	5.8
222.15700	27.1
223.14749	10.6
227.14343	4.8
233.13115	6.1
233.15320	17.3
234.15961	8.5
235.14745	10.3
247.16914	7.1
255.17397	7.1
265.19498	5.5
271.16910	11.5
286.19162	7.5
287.19971	6.2
295.20313	8.3
300.20743	9.0
301.21747	8.7
303.19589	10.6
304.19812	9.9
313.21402	8.6
317.22580	5.3
338.21985	6.7
349.24710	5.0
352.23865	16.5
353.24350	22.6
367.25870	6.7
375.25858	4.6
503.34421	8.1
521.35645	15.8
583.40985	14.6
601.42188	75.5
602.42712	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.05496	3.7
57.07061	6.1
59.04997	2.2
67.05500	8.1
69.03408	7.7
69.07034	4.5
69.28633	1.5
69.29031	13.6
71.43628	1.3
79.05482	8.7
81.07053	15.9
83.04964	3.6
83.08594	2.2
83.13367	1.3
84.49203	1.1
85.06521	3.4
91.05463	14.8
92.05793	1.6
93.07033	29.3
95.04942	5.1
95.08604	14.4
97.06514	3.1
98.21564	2.3
105.07023	25.4
107.08589	16.9
109.06528	7.1
109.10169	7.4
115.05477	1.4
117.06995	4.9
118.66229	1.5
119.08564	34.7
120.08862	1.7
121.06455	3.0
121.10125	18.2
123.08076	12.0
125.05975	3.2
128.06215	2.7
129.06972	4.3
130.07817	1.9
131.08554	15.5
133.10132	17.3
134.10402	1.3
135.08029	8.6
135.11647	5.3
136.08260	1.5
137.09598	11.4
142.07722	4.1
143.08571	10.9
144.09348	2.5
145.10115	25.0
147.08034	16.9
147.11659	4.6
148.08334	1.8
149.09572	2.9
151.07521	12.2
153.09077	1.4
155.08543	3.2
156.09320	4.1
157.10106	17.7
159.08089	1.7
159.11674	13.7
161.09602	4.8
161.13222	6.9
163.11179	7.4
163.12598	1.1
165.09094	42.3
166.09450	2.8
167.08504	1.9
168.09332	1.5
169.10110	7.8
171.11659	8.1
173.09550	2.3
173.13200	5.1
175.11212	4.0
175.14799	4.2
177.09116	1.6
179.08478	2.8
181.10017	2.6
181.12177	7.8
182.10834	2.9
183.11658	8.1
185.13231	6.1
187.11209	3.0
187.14807	5.4
189.12660	3.2
191.10678	1.5
191.14403	1.5
193.10121	1.9
194.10890	2.1
195.11623	5.9
196.12393	1.6
197.13184	7.2
201.12701	2.0
203.14272	15.3
207.11771	3.1
207.13831	6.3
209.13203	6.4
209.15181	2.2
211.14827	3.8
213.12711	1.7
213.16270	2.5
215.14165	2.1
217.15756	1.9
220.12390	1.6
221.13565	4.2
221.15338	100.0
222.15640	8.9
223.14644	3.4
225.16260	1.5
227.14200	2.1
234.16014	2.0
235.14726	1.9
237.16382	1.7
241.15681	1.8
247.16887	5.9
248.17285	1.8
251.17696	1.8
266.29053	1.5
285.18472	2.0
286.19080	2.1
287.20029	6.4
299.20135	3.3
300.20844	3.7
301.21609	5.5
313.21457	1.9
347.23611	1.7
353.24429	1.9
365.25732	1.5
367.26321	6.5
385.28452	1.4
393.27618	3.0
421.30472	2.1
441.29468	3.2
456.63690	1.4
491.35083	9.5
509.35822	4.9
521.35815	4.9
565.39850	1.7
583.41284	11.7
601.42444	33.6
602.42395	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03737	1.3
53.03941	2.6
55.05492	4.4
57.07067	8.3
58.43914	1.4
59.04988	2.7
65.03921	1.8
67.05493	9.0
69.03422	6.6
69.07059	6.6
69.18253	12.6
69.18680	5.5
79.05486	13.7
81.07050	16.5
83.04961	3.5
83.08613	3.2
85.06521	2.7
87.30690	1.5
88.45921	1.4
90.17284	1.3
91.05475	20.3
91.10403	1.4
93.06463	2.2
93.07035	30.8
95.04946	7.2
95.08608	17.9
97.06519	2.9
98.20686	3.1
103.05476	2.0
105.07020	29.0
107.08585	17.7
109.06506	10.5
109.10144	8.8
109.72472	1.3
115.05418	1.7
116.41344	1.6
117.07014	8.2
119.08569	35.0
120.08907	2.1
121.06486	6.4
121.10133	19.3
123.08052	12.5
125.05994	4.0
127.07435	1.4
128.06232	2.0
129.06990	6.1
130.07809	2.7
131.08566	13.9
132.09087	1.5
133.06467	2.1
133.10104	18.9
135.08043	9.7
135.11661	6.9
137.09586	9.1
141.06961	1.9
142.07808	6.8
143.08543	13.3
144.09279	3.4
145.10117	26.4
146.10405	1.6
147.08038	18.5
147.11661	4.1
148.08379	1.5
149.09628	5.4
151.07510	11.2
153.08990	1.4
155.08621	4.2
156.09331	4.4
157.10115	19.1
158.10854	2.5
159.08055	4.7
159.11688	14.0
161.09579	5.2
161.13252	3.5
163.11131	7.7
165.09088	42.2
166.09468	2.5
167.08533	3.7
168.09338	1.8
169.10117	8.1
170.10886	1.8
171.11671	10.6
173.09669	2.4
173.13243	6.2
175.11223	4.5
175.14796	5.0
177.09126	2.1
179.08484	2.9
180.09299	1.6
181.10107	4.3
181.12231	11.0
182.10936	2.8
183.11646	8.3
184.12294	2.4
185.13271	7.3
187.14832	4.5
189.12717	5.7
191.14264	2.9
193.10133	3.5
193.12114	2.2
194.10919	1.9
195.11719	7.2
196.12206	2.2
197.13205	4.3
199.14816	3.9
201.12801	2.5
203.14342	15.0
207.11681	5.0
207.13809	6.9
209.13249	8.3
209.15288	3.5
210.13786	1.5
211.11038	1.7
211.14719	2.3
213.12770	2.2
218.44826	1.5
221.13490	3.4
221.15334	100.0
222.15733	9.4
223.14778	3.7
225.16306	2.5
234.16200	3.9
235.14819	3.3
237.16367	3.4
247.14659	2.2
247.16846	7.1
249.16306	2.0
251.17944	1.5
265.19418	2.2
267.17264	2.0
285.18533	2.1
286.19382	3.0
287.20187	6.8
288.20602	1.8
297.22006	2.1
299.20123	3.2
300.20746	6.5
301.21646	6.0
311.20184	2.1
312.20459	1.8
313.21616	4.0
340.23550	2.5
341.24246	2.9
352.23840	4.6
353.24457	2.8
367.26202	8.8
375.26758	2.5
393.27673	4.2
420.30011	3.5
427.28595	2.0
430.28461	1.7
440.29337	2.3
441.29501	6.0
491.35327	12.9
499.36209	1.4
509.35846	5.3
521.35876	6.1
583.41260	12.6
601.42328	36.6
602.43225	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01619	2.9
53.03931	7.3
55.05506	23.3
57.07063	17.2
59.04998	6.5
60.91693	2.5
65.03926	5.5
65.74232	2.0
67.05497	36.3
68.00481	2.6
69.03423	21.5
69.07053	25.0
71.00484	4.2
71.00808	4.2
77.85593	2.6
79.05485	35.0
81.03397	6.2
81.07048	48.6
83.04957	17.2
83.08611	12.2
85.06543	6.5
91.04886	3.1
91.05466	61.8
93.07034	83.8
94.07368	4.2
95.04963	28.5
95.08597	48.9
97.06512	12.7
99.08061	2.8
103.05500	5.3
103.37628	2.6
105.07017	100.0
106.07320	3.8
107.04952	2.5
107.07846	4.1
107.08581	75.1
108.08894	2.6
109.06504	14.9
109.10140	28.5
111.08017	3.0
111.11695	3.3
115.05463	6.1
116.17880	2.5
117.06993	22.9
119.08566	90.2
120.08870	4.6
121.06514	13.6
121.10127	82.2
122.10505	2.9
123.08070	22.6
123.11708	8.7
125.06003	6.5
125.09631	11.0
128.06186	15.2
129.06989	19.7
130.07726	9.2
131.08542	37.8
133.06488	5.4
133.10110	53.5
135.08038	25.7
135.11682	21.7
137.09608	18.3
139.11179	5.1
141.06972	7.5
142.07784	22.3
143.08548	45.9
144.09276	9.3
145.06398	3.0
145.10112	75.2
145.11273	5.4
147.08038	24.1
147.11656	23.5
149.09604	20.1
149.13231	4.0
151.07523	16.3
151.11134	4.4
153.06964	3.1
154.07709	4.0
155.08568	18.1
156.09331	23.4
157.10107	62.1
158.10649	9.3
159.08034	18.2
159.11661	34.6
161.09601	23.1
161.13263	10.7
163.11150	17.9
165.06947	6.4
165.09091	47.6
166.07643	3.3
167.08537	7.8
167.10646	50.0
167.14357	2.9
168.09340	9.4
169.10106	29.2
170.10791	11.8
171.07974	4.6
171.11694	35.9
172.12231	4.0
173.09647	6.2
173.13223	22.7
175.11139	10.5
175.14799	11.5
177.12672	2.4
179.08513	11.9
180.09241	5.1
181.10092	15.5
181.12132	12.5
182.10834	9.6
183.11655	27.8
184.12434	3.8
185.09657	4.7
185.13225	23.6
187.11174	7.6
187.14807	8.0
188.11964	2.9
189.12741	10.9
191.14255	9.7
193.10139	14.9
193.11758	3.0
194.10861	11.8
195.11635	21.6
196.12346	8.3
197.13268	26.6
198.13785	4.4
199.11241	3.4
199.14786	16.4
201.16338	3.8
203.14323	24.7
205.10167	4.3
206.10887	6.1
207.11670	13.0
207.13792	8.9
208.12375	4.9
208.14262	3.4
209.13225	23.3
209.15305	6.2
210.13861	7.1
211.11130	3.4
211.14816	13.6
212.15353	4.3
213.12778	4.3
213.16399	7.4
215.14345	3.8
217.10182	3.2
217.15894	3.8
219.11749	7.2
221.13257	14.0
221.15303	97.0
222.13834	3.9
222.15717	8.1
223.14859	14.8
225.12613	3.4
225.16309	10.2
227.14224	6.6
229.15784	4.0
231.11661	3.3
233.13234	8.3
233.15375	24.8
234.15871	3.7
235.14839	8.8
235.16925	3.6
236.15480	3.0
237.14461	3.3
237.16417	7.8
238.15178	5.2
238.81575	2.7
239.14308	2.7
239.17911	6.7
245.13191	4.2
247.14769	10.2
247.17064	4.8
248.15646	2.7
249.16377	8.0
251.17909	7.8
253.15910	3.8
257.19104	4.4
258.14212	3.2
259.14752	4.2
260.15524	3.9
261.16321	4.5
262.17142	2.9
263.17880	5.6
265.19440	8.6
267.17291	3.5
269.18930	7.8
273.16382	4.0
275.17795	5.2
277.19501	6.6
281.19049	4.8
283.20444	8.5
286.19180	6.5
287.20044	9.6
289.19351	3.3
291.21182	4.8
293.18945	5.3
295.20633	5.4
297.22049	2.7
299.20068	7.0
300.20789	4.4
301.21680	10.0
303.19333	6.5
304.19681	3.3
311.19952	3.6
312.20740	6.6
331.24191	3.4
349.25122	5.3
352.23953	9.3
353.24374	12.5
365.24597	4.7
367.26288	8.8
375.26685	5.4
393.27887	3.5
406.19388	2.9
491.35034	4.9
503.34863	3.4
521.35907	11.3
565.39941	8.8
583.41516	18.6
584.41010	3.6
601.42377	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39511	2.1
53.03921	7.5
55.05497	18.6
57.07070	14.5
57.07290	2.5
59.01799	2.1
59.04981	5.8
65.03942	6.1
65.42903	2.2
67.05493	33.7
69.03428	18.3
69.07066	25.3
71.00186	7.0
71.04975	2.5
71.16456	2.3
74.21617	2.2
79.05487	38.6
81.07049	45.9
83.04966	23.9
83.08599	15.3
85.06512	7.5
91.05476	64.7
92.05782	4.3
93.06459	4.5
93.07032	83.9
94.07350	3.5
95.04964	27.6
95.08601	41.3
96.08927	3.1
97.06531	12.0
103.05473	6.0
105.07020	100.0
106.07293	5.3
107.08588	71.1
108.08894	3.9
109.06498	16.4
109.10154	29.1
111.08110	4.9
111.11701	3.2
115.05440	7.1
117.07003	20.7
119.08569	84.4
120.08920	2.9
121.06481	12.6
121.10132	76.7
122.10406	3.6
123.08051	19.0
123.11697	7.8
125.05980	7.0
125.09605	9.6
128.06213	16.8
129.07021	20.2
130.07744	8.7
131.08559	39.9
133.06480	5.5
133.10109	56.3
135.08055	22.6
135.11707	21.1
137.05974	3.0
137.09602	19.4
139.11162	4.7
141.06975	8.4
142.07779	24.2
143.08554	45.7
144.09302	9.9
145.06468	4.3
145.10104	64.5
146.10417	2.4
147.08040	26.6
147.11682	19.0
148.08401	3.9
149.09602	16.4
149.13184	3.5
151.07530	19.4
151.11156	2.4
153.06911	5.3
155.08569	20.4
155.10655	2.8
156.09341	23.6
157.10120	50.9
158.10722	9.0
159.08080	12.4
159.11699	40.7
161.09615	23.1
161.13211	9.1
161.25047	2.6
163.11165	15.6
165.06963	5.7
165.09090	43.8
166.07709	2.4
166.09373	3.0
167.08507	9.5
167.10654	42.9
168.09302	5.6
169.10118	24.9
170.10890	12.4
171.11673	37.9
172.08896	2.6
172.12189	3.5
173.09584	8.0
173.13272	23.2
175.11151	10.2
175.14772	7.3
177.09029	3.2
178.07854	2.5
179.08505	11.5
180.09264	4.6
181.10089	14.6
181.12225	15.9
182.10901	11.4
183.11676	27.8
184.12297	4.1
185.09546	4.5
185.13274	19.5
186.13795	3.6
187.11186	7.9
187.14821	7.7
189.12708	9.0
190.13501	3.1
191.14282	7.6
191.27065	2.6
193.10117	14.6
193.12225	3.1
194.10800	5.6
195.11687	23.3
196.12379	8.5
197.09457	3.5
197.13232	24.5
198.13957	4.1
199.11122	4.3
199.14812	15.0
200.15094	2.4
201.12735	6.4
201.16333	3.8
203.14281	21.2
205.15816	2.6
206.10866	8.4
207.11670	17.3
207.13841	7.3
208.12296	5.7
209.13202	23.8
209.15300	6.8
210.13751	3.2
211.11121	2.6
211.14737	13.4
212.15285	3.2
213.12753	6.9
213.16406	6.7
214.12943	3.7
215.14284	5.5
217.10139	3.5
217.15872	5.7
217.40030	2.8
219.11621	6.4
220.12346	3.7
221.13197	11.7
221.15314	95.0
222.15631	7.6
223.14703	13.1
225.12679	4.2
225.16324	9.6
227.14267	5.3
231.11661	3.6
232.12303	2.9
233.13220	5.5
233.15334	23.3
234.13728	5.4
234.15924	4.8
235.14839	8.1
235.16913	3.8
236.15509	3.2
237.12677	3.1
237.16438	8.0
238.15178	4.6
239.14282	3.7
239.17784	3.5
245.13184	4.4
247.14716	5.6
247.16879	3.8
249.16351	9.2
250.16920	2.9
251.17888	4.4
255.17325	5.5
259.14856	4.9
261.16318	5.4
262.16519	2.9
263.17819	6.6
265.19388	5.3
267.17325	4.9
269.19040	6.5
271.20364	2.8
273.16080	3.7
275.17740	5.8
277.19470	4.3
279.21237	3.3
283.20499	7.5
285.18762	3.4
286.19275	5.2
287.20062	5.3
289.19064	3.4
293.19107	3.6
295.20349	2.9
297.21881	3.2
299.20139	4.1
300.20856	7.0
301.21564	9.2
303.19525	7.2
304.19833	5.1
312.20700	5.2
313.21628	2.8
317.22726	3.9
325.21442	4.8
331.24258	5.7
349.24948	4.6
352.23849	14.2
353.24179	13.4
365.24902	3.8
366.25122	4.1
367.26224	7.9
379.26263	5.8
393.27744	5.1
403.29767	2.6
491.34772	3.1
503.35092	4.4
508.34909	3.9
509.35880	5.0
521.35767	16.4
565.40131	6.7
583.41309	14.8
601.42407	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.3
54.17897	2.4
55.01854	3.2
55.05495	10.9
57.07066	13.7
59.04993	3.8
67.05490	21.8
69.03419	8.7
69.07063	14.1
71.57064	4.9
74.51762	2.3
79.05498	19.1
81.03397	9.6
81.07050	34.2
83.04970	6.3
83.08608	8.5
85.06536	3.8
87.04440	6.7
89.06026	4.6
91.05478	34.4
93.07034	51.0
93.52074	2.6
93.90844	2.9
95.04969	11.8
95.08592	29.8
97.06505	6.4
103.05453	3.4
105.06353	5.1
105.07018	61.4
107.04963	3.4
107.08580	41.2
109.06519	13.0
109.10146	19.4
111.08114	4.1
115.05472	4.1
117.07029	14.0
119.08565	55.6
121.06503	8.5
121.10121	42.7
123.08053	19.6
123.11700	3.6
125.05952	3.8
125.09610	5.2
128.06161	5.5
129.07014	7.1
130.07805	3.3
131.08554	24.7
133.08574	5.6
133.10118	33.7
135.08035	9.0
135.11688	9.5
137.09624	15.3
142.07796	14.1
143.08548	25.2
144.09258	7.9
145.10109	36.8
147.08015	20.1
147.11650	9.3
148.11980	2.5
149.09616	7.6
151.07520	14.5
155.08578	9.6
156.09325	6.8
157.10112	32.6
159.08043	7.0
159.11670	24.3
161.09639	7.6
161.13292	8.5
163.11203	8.2
165.07010	3.4
165.09074	35.1
165.10332	4.2
167.08580	5.5
167.10669	18.0
168.09314	3.6
169.10106	16.8
170.10997	2.8
171.11676	15.9
172.12292	2.4
173.09613	7.5
173.13226	10.5
175.11159	5.5
175.14809	9.8
179.08484	3.6
181.10075	7.6
181.12177	8.1
182.10840	3.4
183.11656	18.5
185.09744	3.2
185.13197	12.6
187.11160	3.3
187.14803	7.8
189.12756	6.8
191.14313	3.6
193.10060	5.4
194.11009	2.5
195.11690	7.2
196.12433	3.7
197.13237	10.4
199.14824	6.2
201.12859	2.9
203.14241	17.4
205.10252	2.7
207.11691	10.2
207.13666	5.4
208.12416	3.9
209.13164	9.7
209.15129	3.0
210.13667	3.5
211.14742	5.1
213.12743	3.2
221.13249	7.2
221.15326	100.0
221.17575	4.8
223.14787	7.5
225.16463	3.9
233.13313	3.7
233.15379	7.3
235.14824	4.3
237.16431	4.5
239.14487	3.1
247.16908	3.3
249.16359	3.9
251.17792	4.1
283.20517	3.5
286.19101	2.8
287.20151	5.5
301.21719	3.0
313.27335	3.3
367.26096	6.2
377.24579	3.7
491.35095	9.8
509.35992	5.1
512.23090	2.4
583.41034	11.2
601.42468	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.05500	8.8
57.07061	9.5
59.04987	2.5
59.42060	1.8
67.05496	12.9
69.03417	6.4
69.07059	7.3
71.57391	1.9
71.57813	2.6
77.98231	1.8
79.05484	13.8
81.03362	1.8
81.07053	20.9
83.04974	3.6
83.08607	3.5
85.06537	4.1
89.06010	4.9
91.05477	23.7
92.96567	1.6
93.07042	30.0
95.04941	7.6
95.08605	24.2
97.06489	4.6
103.05477	2.9
105.07018	33.4
107.05007	1.8
107.08582	20.3
109.06496	8.1
109.10165	13.1
111.07993	2.0
115.05426	3.5
117.06993	6.1
119.07758	3.0
119.08567	39.4
121.06482	3.8
121.10126	25.1
123.08067	19.2
123.11670	3.1
125.05968	3.8
128.06261	2.8
129.06989	5.1
130.07782	3.0
131.08572	15.9
133.08618	2.8
133.10112	20.5
135.08060	7.5
135.11687	6.8
137.09579	14.7
139.07390	2.1
141.06973	3.5
142.07748	5.0
143.08524	13.4
144.09312	2.3
145.10117	30.3
147.08034	21.6
147.11655	7.2
149.09584	5.3
151.07515	10.2
155.08560	5.2
156.09244	6.0
157.10127	18.5
158.10954	3.1
159.08006	2.5
159.11676	16.2
161.09570	6.3
161.13225	6.7
163.11172	8.9
165.06950	2.1
165.09093	48.0
167.08537	3.6
168.09325	2.6
169.10094	8.5
170.10905	3.2
171.11699	12.1
173.13284	5.5
175.14787	3.6
177.09143	2.0
177.11086	2.1
179.08501	3.0
179.10641	2.1
180.09259	2.4
181.10089	6.0
181.12195	8.3
182.10889	2.5
183.11714	7.8
185.13254	8.3
187.11111	2.2
187.14844	4.8
189.12782	5.5
193.10225	2.1
195.11694	7.4
197.13234	6.4
199.14693	2.4
203.14252	16.0
205.10239	2.5
207.11887	2.2
207.13792	6.9
208.12314	2.5
209.13264	6.5
209.15096	1.9
211.14792	4.8
220.12376	2.6
221.13324	5.1
221.15335	100.0
223.14784	4.0
225.16385	4.0
233.78722	2.3
235.14867	2.6
237.16402	4.4
245.13243	2.0
283.20447	2.3
287.20065	3.6
300.20782	2.8
342.92105	2.1
367.26471	5.4
491.35019	5.7
509.35999	2.8
583.41101	8.8
601.42529	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	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.07070	5.2
58.06593	2.0
65.03921	1.1
67.05475	0.7
68.05006	0.4
69.07044	0.5
70.06583	18.7
71.08622	4.1
71.57596	0.5
71.91488	0.4
81.07002	0.7
81.09563	0.4
84.08113	0.5
88.07621	22.4
93.07021	0.5
97.10133	0.5
102.09166	15.3
104.88178	0.4
105.03356	1.1
131.04854	0.6
132.02090	0.5
147.04437	0.6
149.02325	38.6
149.03375	1.5
150.23599	0.4
156.17439	1.3
175.03925	0.8
177.05446	0.9
181.35190	0.4
184.15175	0.4
193.04941	48.4
194.05264	0.5
200.20070	55.1
201.20425	0.7
219.06534	1.8
225.05434	1.2
237.07567	12.9
244.22701	1.5
269.04434	1.4
297.03848	2.4
313.06946	2.0
341.06537	9.8
343.08002	0.8
359.07556	6.9
385.09116	19.9
386.08987	0.4
429.11761	32.4
430.11914	1.0
540.25690	0.5
584.28656	1.5
602.29517	100.0
603.29669	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	603.3158
Annotation	trapoxin A
Peak:m/z	Relative Intensity
50.41771	2.1
52.77895	2.0
53.03938	7.3
53.92869	1.8
55.01862	13.4
55.05507	36.8
56.90859	1.8
57.03434	13.3
60.23466	1.9
64.93783	1.8
67.05500	47.6
69.03418	10.0
69.07062	12.2
69.42652	18.4
71.04977	6.9
79.05487	48.3
81.03407	60.7
81.07047	46.3
83.04980	14.5
83.08620	23.6
84.27294	2.0
85.02892	26.9
85.06538	5.0
91.05470	51.9
93.07037	34.3
95.04960	63.4
95.08591	21.9
97.02897	5.9
97.06515	7.6
97.10160	18.4
98.21465	5.3
99.08073	2.9
103.03905	2.5
103.05464	8.0
105.07018	39.7
107.04948	22.6
107.08585	21.3
108.91404	2.1
109.02864	16.0
109.06505	8.4
109.10145	12.3
111.04437	9.0
111.08054	10.1
111.30762	2.0
115.05447	7.5
117.07014	19.3
119.04932	9.2
119.08563	30.4
121.02879	7.8
121.06503	16.3
121.10138	18.3
123.04420	8.4
123.08050	6.8
123.75818	2.2
125.09629	13.7
127.03900	3.3
128.06213	6.0
129.06989	23.8
131.04916	15.0
131.08554	17.1
133.06464	14.9
133.10133	13.5
135.04420	3.5
135.08034	8.0
135.11661	5.1
137.02328	4.6
137.05991	3.3
137.09561	3.2
139.03877	2.9
139.11081	2.3
141.06990	7.3
142.07779	3.3
143.08568	9.1
144.05701	3.0
145.06451	18.7
145.10091	12.6
147.04419	11.7
147.08031	10.4
147.11685	14.9
149.05937	9.4
149.09593	10.3
151.03931	3.3
153.05478	2.4
153.07040	2.7
153.09216	2.3
155.08575	8.2
157.06526	6.6
157.10123	13.7
159.04358	4.6
159.08032	10.2
159.11670	3.5
160.05148	5.5
161.05968	25.1
161.09618	9.5
163.03816	3.2
163.07632	3.8
163.11165	19.3
165.05695	2.1
165.07053	2.9
165.09169	5.5
165.12759	2.7
167.08521	5.3
169.06512	5.8
169.10088	2.6
171.04390	3.2
171.07985	10.2
171.11687	3.7
173.05952	34.2
173.09621	8.3
174.06773	8.6
175.03902	4.2
175.07582	6.8
175.11163	10.3
177.05406	3.4
177.89479	2.2
179.08449	3.5
181.06432	3.3
181.10124	4.2
181.12308	2.8
183.08055	6.6
185.06004	6.3
185.09650	6.6
186.06796	3.6
187.07535	18.6
187.11267	2.8
189.05458	25.2
189.09090	3.1
189.11217	5.1
190.06230	2.9
191.10608	4.8
193.12221	26.0
195.08075	3.6
195.11607	2.4
197.09653	5.1
199.07491	6.1
199.11174	3.6
201.09125	3.1
203.06981	3.8
203.10756	3.3
205.12154	4.0
209.09636	3.3
211.07639	2.9
211.11273	4.6
211.13248	21.2
213.12714	4.6
215.07092	2.3
217.12173	2.6
227.12793	6.3
237.12787	3.9
239.10756	2.5
245.15442	2.9
255.13800	11.9
257.15381	6.0
267.16022	8.6
271.13321	2.5
273.14801	25.3
283.13098	17.0
285.14713	8.3
285.17441	15.9
289.14322	6.9
291.15939	3.7
297.14990	3.3
299.16479	2.3
301.14304	87.3
303.15912	8.0
303.91507	2.2
313.17825	3.1
315.15829	3.5
319.15417	13.1
323.16571	6.5
331.15292	2.3
341.17554	11.1
343.15433	9.6
357.17026	4.9
359.18448	3.2
375.17953	21.0
393.19092	7.3
405.24316	2.9
419.25696	2.7
429.24289	2.9
447.25330	2.4
459.27615	3.3
465.26450	3.0
483.27298	3.4
493.25739	6.1
511.26831	10.9
529.28046	3.4
539.29822	4.2
543.29242	8.4
549.28516	4.4
555.29352	2.9
557.30243	2.4
567.29547	20.0
573.30518	12.8
585.21191	4.7
585.30554	100.0
594.61230	2.3
603.31512	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3154
Annotation	trapoxin A
Peak:m/z	Relative Intensity
50.54878	2.4
51.16672	2.3
53.03934	7.8
53.56493	1.9
55.01859	16.0
55.05500	38.7
57.03432	14.4
58.42865	2.3
59.04975	2.8
65.22613	2.3
67.05492	50.8
69.03425	10.4
69.07059	13.8
69.52441	6.5
69.52859	9.8
71.04978	10.3
79.05482	56.9
80.59695	2.2
81.03404	87.7
81.07045	51.9
83.04971	26.0
83.08603	28.4
85.02896	38.4
85.06532	6.3
91.05468	69.3
93.03389	3.2
93.07032	32.8
95.04956	61.3
95.08591	22.5
97.02884	7.1
97.06519	9.8
97.10168	18.6
99.04451	2.8
103.05432	11.2
105.03421	3.8
105.07018	48.2
105.07668	3.9
107.04255	3.7
107.04928	25.5
107.08585	20.8
109.02854	21.2
109.06480	11.0
109.10170	10.3
111.04430	16.9
111.08030	12.7
115.05400	13.0
117.07018	18.4
119.04937	7.5
119.08556	25.8
121.02873	12.2
121.06503	16.9
121.10124	12.9
121.94537	2.7
123.04435	6.2
123.08046	5.6
123.11696	3.3
125.09621	15.6
127.03951	2.7
128.06232	7.8
129.06982	24.4
131.04901	22.7
131.08545	26.0
133.06461	21.5
133.10112	16.9
135.04410	3.8
135.08073	6.2
135.11705	8.8
137.02353	8.1
137.05927	4.7
139.03934	2.5
141.06990	4.3
142.07732	4.2
143.08566	9.4
144.05771	2.8
145.06477	24.2
145.10124	11.3
147.04373	12.5
147.08054	9.6
147.11673	15.2
149.06013	10.5
149.09604	12.4
153.09074	2.9
153.12659	3.3
155.08568	8.3
157.06506	10.4
157.10081	15.2
159.04407	4.4
159.08069	9.2
159.11754	4.1
160.05238	7.5
161.05969	26.2
161.09622	8.9
163.07536	2.7
163.11140	13.4
165.05574	3.0
165.07031	2.9
165.09088	2.6
165.12782	3.5
167.08597	5.6
169.06470	3.1
169.10107	5.1
171.08057	10.5
171.11703	4.5
173.05956	39.2
173.09621	7.1
174.06778	8.6
175.03957	8.1
175.07530	9.2
175.11128	14.8
176.10738	2.4
177.05466	2.5
181.10213	3.5
181.12221	4.5
183.07986	3.4
183.11746	3.7
184.08720	2.5
185.06010	4.6
185.09598	5.3
185.13226	2.4
186.06796	3.7
187.07509	17.4
187.11172	2.7
189.05441	32.8
189.07011	2.9
189.09125	5.7
189.11183	5.3
190.06262	3.7
191.06953	2.5
191.10667	6.4
193.12216	32.4
195.08031	5.8
195.11659	2.6
199.07681	7.5
200.08406	2.6
201.09071	4.9
203.06990	4.9
205.12346	2.7
209.09711	2.9
209.13303	2.8
211.07657	3.6
211.11290	4.5
211.13228	41.5
213.09233	2.8
213.12653	4.1
227.12784	9.1
237.12531	4.8
241.12256	4.8
243.13762	3.2
247.13503	3.2
255.13866	9.0
257.15396	6.7
267.15973	11.2
271.13147	4.9
273.14780	32.5
283.13257	17.3
285.14783	10.5
285.17441	15.8
289.14343	7.6
291.15945	2.6
295.16718	2.5
301.14294	97.6
302.14667	3.2
303.16034	7.7
319.15427	21.8
341.17609	2.9
345.16931	4.4
357.17026	3.6
359.18564	3.5
375.18030	27.8
385.23584	3.6
393.19089	10.3
447.25412	4.2
459.27301	3.7
465.26480	3.7
475.25006	5.6
493.25964	8.3
511.27002	6.9
513.28870	2.6
539.30499	3.6
543.30237	2.5
555.29633	4.4
567.29517	12.7
573.30536	22.1
585.30487	92.6
586.30945	2.5
603.31592	100.0
604.32098	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	603.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.1
55.01862	21.8
55.05508	43.3
57.03432	16.7
65.90440	2.4
67.05494	45.5
69.03420	9.3
69.07053	13.6
71.01324	3.5
71.04969	6.6
73.28488	3.1
79.05483	47.6
81.02963	5.1
81.03406	59.5
81.07043	47.7
82.46852	3.0
83.04965	19.9
83.08588	26.2
85.02894	31.8
85.06538	4.4
85.20801	2.7
91.05460	51.6
93.07027	37.9
95.04955	63.9
95.08576	21.3
97.02892	5.6
97.06509	8.6
97.10149	22.4
99.04449	2.7
103.05449	10.1
105.07013	42.1
107.04947	23.9
107.08582	24.1
109.02878	16.8
109.06516	11.2
109.10145	9.2
111.04433	12.6
111.08044	8.4
115.05427	11.3
116.06165	3.2
117.06966	19.6
118.95085	2.4
119.04944	8.5
119.08565	22.8
121.02849	9.1
121.06473	14.3
121.10120	11.7
123.04436	6.5
123.08040	4.8
123.11693	4.5
125.09592	14.0
127.03856	2.6
128.06184	7.1
129.06999	21.7
131.04898	21.6
131.08556	17.4
133.06494	18.5
133.10149	16.3
135.04437	4.5
135.08006	6.5
135.11673	7.0
137.02341	3.6
137.06056	3.0
141.06950	7.6
142.07829	5.1
143.04987	2.9
143.08543	10.8
145.06471	28.2
145.10083	13.0
147.04411	15.7
147.08041	11.8
147.11667	10.7
149.05933	7.0
149.09602	8.0
153.12752	4.9
155.08522	7.0
157.06494	13.0
157.10091	14.1
159.04402	6.4
159.07977	14.0
160.05276	4.9
161.05984	25.7
161.09642	4.4
163.03897	2.9
163.07504	4.2
163.11205	14.2
165.06958	4.3
167.08575	5.8
169.06476	4.5
169.10085	4.2
171.04401	4.4
171.08011	11.7
171.71469	2.6
173.05981	34.4
173.09625	6.3
174.06746	5.9
175.07530	8.3
175.11157	7.9
179.08607	3.1
181.06467	4.8
181.10109	5.3
181.12289	5.9
183.08054	7.4
183.11699	3.5
184.08841	3.6
185.05983	7.2
185.09587	3.1
185.13246	3.9
186.06744	6.4
187.07495	21.8
189.05450	27.4
189.09090	5.8
189.11192	7.5
190.06200	3.8
191.10684	6.1
193.10464	4.7
193.12248	22.4
195.08060	3.3
197.09605	8.1
199.07596	5.9
201.09114	4.6
205.12218	6.2
211.07544	5.7
211.13272	27.2
213.09021	4.4
221.09625	3.9
223.13240	3.0
225.09146	3.6
225.12625	3.4
227.10796	3.6
227.12759	11.5
239.10690	5.2
241.12311	3.6
243.13875	5.5
255.13828	10.3
257.11624	3.8
257.15305	9.9
259.13242	6.1
267.15997	9.8
271.13220	4.7
271.16782	3.0
273.14804	28.2
283.13095	17.4
285.14240	14.8
285.17047	12.9
289.14438	5.9
297.14777	3.7
299.16547	5.5
301.14301	91.3
301.17560	5.6
303.15863	10.2
313.18005	5.0
315.15942	7.8
319.15137	13.6
323.16449	6.0
325.14099	3.8
327.16220	3.2
339.15732	4.0
341.17490	13.0
343.15390	19.2
357.16919	5.9
375.18039	15.7
393.19119	8.0
400.05344	3.2
447.25302	4.5
450.80014	3.0
465.26178	3.5
475.24594	3.1
493.25894	11.2
511.26810	11.0
529.28131	4.3
539.29999	8.0
543.29315	14.8
555.29468	4.4
557.29810	3.6
567.29370	20.4
573.30524	18.2
585.30530	100.0
586.30609	4.3
603.31555	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66327	0.2
69.49949	1.6
79.21105	0.2
81.03445	0.3
85.02920	0.2
87.69169	0.2
91.05479	0.3
98.20760	0.5
115.05392	0.5
117.07009	1.9
135.04361	0.4
139.03896	1.1
143.07309	1.3
144.08072	100.0
145.06546	0.3
145.08420	0.9
153.01743	0.3
161.10733	17.9
163.03928	1.8
258.36908	0.2
285.03824	0.4
317.83621	0.2
343.69910	0.3
545.66174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.0
53.03935	11.1
55.01862	12.4
55.05252	3.4
55.05505	39.6
57.03424	16.0
57.07074	3.8
65.03923	6.9
67.05160	5.4
67.05494	79.5
69.03417	21.3
69.07053	21.3
70.79634	6.5
71.04977	8.0
73.02901	3.1
75.25206	2.6
79.05485	71.6
81.03412	75.1
81.03883	3.1
81.07047	100.0
83.04966	15.8
83.08613	26.9
85.02895	20.7
85.06511	4.9
91.04955	5.5
91.05475	75.3
93.07030	65.2
95.01219	3.3
95.04958	57.3
95.08582	34.2
97.02872	17.4
97.06504	10.0
97.10135	12.2
99.04466	5.0
99.08118	3.4
103.05464	7.0
105.07019	40.1
107.04948	22.6
107.08580	37.9
109.02866	25.2
109.06506	10.7
109.10118	7.2
111.04434	14.3
111.08067	9.1
115.05408	8.0
117.07019	28.0
119.04909	7.6
119.08572	28.2
121.06490	23.6
121.10118	19.3
123.04412	11.9
123.08047	9.5
123.11666	9.3
125.02357	7.6
125.05915	2.8
125.09633	7.1
127.03885	8.4
128.06216	5.5
129.06982	22.6
131.04927	11.7
131.08562	29.0
132.01535	3.2
133.06476	12.0
133.10141	26.5
135.04427	5.3
135.08049	11.2
135.11673	13.8
139.03871	3.7
141.07014	7.6
143.08563	11.3
145.06488	14.9
145.10043	17.8
147.04401	21.2
147.08023	9.0
147.11646	18.5
149.06010	8.9
149.09622	6.7
149.13216	13.0
151.11102	3.5
153.06982	3.4
153.09105	3.2
155.08560	8.5
157.06487	7.6
157.10075	12.5
159.08023	9.6
159.11626	9.3
161.05962	11.3
161.09590	7.3
161.13290	4.8
163.07536	3.9
163.11166	7.5
165.05495	2.7
165.12697	5.7
167.08528	5.5
169.06502	3.4
169.10165	4.3
171.08002	8.1
171.11662	4.0
173.04517	3.1
173.05960	6.4
175.11154	6.9
177.05487	4.5
177.12714	8.5
181.10027	4.2
183.08014	7.1
185.13232	6.7
187.07573	8.2
187.11270	3.4
189.05457	9.8
189.09052	3.0
189.11179	5.0
189.12733	4.2
193.10226	3.8
193.12202	13.6
195.13754	9.3
197.09581	4.1
197.13235	4.4
199.07458	4.8
203.10432	3.4
205.12254	4.1
211.13255	7.9
212.94513	3.0
227.12685	4.6
235.13184	8.9
237.12851	3.5
243.13893	4.1
249.14963	4.3
255.13806	6.6
257.15186	3.8
259.13309	5.5
267.15829	10.2
269.17526	23.8
271.13266	5.4
273.14804	36.6
283.13266	9.8
289.14432	4.5
301.14313	36.1
303.15744	8.6
319.15295	12.7
323.92844	3.6
325.17874	3.3
375.17822	13.7
393.18997	10.2
395.20288	3.9
411.43805	3.2
443.27747	3.4
477.25891	4.6
479.30020	4.1
495.27362	4.5
513.28052	3.8
515.29291	3.9
527.29535	6.2
541.31616	5.7
545.31091	3.8
551.29974	10.2
557.30707	9.8
569.31140	35.7
587.31860	36.3
605.33081	61.4
606.33051	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	605.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.6
55.01857	11.4
55.05501	25.7
57.03424	7.7
57.07068	53.8
58.32377	2.8
58.92613	3.3
63.50171	2.8
66.97301	3.0
67.05498	67.3
69.03403	4.3
69.07057	30.7
69.97041	3.0
70.75345	3.4
70.75683	9.2
71.04985	6.2
71.08618	35.8
79.05482	48.7
81.07042	75.3
83.04964	7.2
83.08595	23.0
83.18590	3.2
85.10175	18.6
91.05471	38.2
93.07032	35.7
95.04945	12.7
95.08585	58.1
97.06521	18.7
97.10152	17.3
105.07016	39.9
107.04940	14.8
107.08582	32.6
109.06496	15.4
109.10135	30.3
117.07029	8.9
119.08564	33.3
121.10135	16.5
123.08057	6.8
123.11678	14.3
125.09589	7.7
129.06982	6.2
131.08562	15.4
133.10129	25.0
133.11000	4.8
135.08015	7.1
135.11620	5.2
137.09610	4.5
137.13258	3.3
143.08492	5.7
144.18568	3.1
145.10094	24.6
147.11661	22.6
149.09560	26.4
149.13214	6.8
157.10126	4.2
159.11720	15.2
161.13257	7.6
163.11110	8.0
165.12769	4.7
169.10045	3.7
173.13216	4.7
173.79251	3.3
189.11176	7.9
197.13124	4.0
227.12741	15.3
229.19633	4.8
239.17836	3.9
239.23703	7.4
247.20554	4.1
257.18988	12.7
275.20050	100.0
293.20993	11.1
313.27328	66.4
331.22574	4.2
349.23706	41.0
354.53979	3.5
483.44025	3.8
548.85364	4.1
587.46643	38.5
605.24475	5.0
605.48224	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2542
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
70.81844	0.4
70.82181	0.9
73.93564	0.4
159.18417	0.4
183.09032	0.4
206.08214	0.4
209.10710	0.4
251.81624	0.5
298.13535	0.4
355.16617	0.5
374.15683	0.5
375.16034	0.5
387.16251	0.9
388.16800	1.2
389.17599	3.3
390.18332	1.0
391.19189	1.5
401.17752	0.6
402.18842	0.9
403.19379	4.3
404.19995	2.0
405.20688	3.1
407.22214	0.4
416.16327	1.4
417.16049	4.0
417.20990	2.6
418.17358	1.0
418.21771	1.2
419.22452	6.7
420.23074	1.0
422.71884	0.4
429.21255	0.5
430.17526	0.7
431.18176	8.0
432.19174	4.4
433.20154	4.4
445.20184	7.2
445.25436	0.4
446.20947	9.5
447.21738	10.5
448.22327	1.1
459.17798	1.5
459.22369	1.4
460.19064	1.3
461.19293	2.7
462.24365	0.7
463.20215	0.8
473.19461	1.2
474.20410	6.8
475.20953	5.8
477.22821	1.2
478.23505	1.3
481.04993	0.4
487.21512	1.7
488.21729	0.8
490.24036	0.6
491.21115	2.8
501.22833	1.8
504.21518	0.9
505.22305	1.0
506.23190	0.5
519.24011	22.0
520.24524	2.3
533.21497	0.5
547.23340	15.6
548.23981	1.8
561.24951	0.6
579.25842	6.7
589.24408	0.5
607.25433	100.0
608.25665	4.8
635.39008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58158	0.4
54.01245	0.3
56.59732	0.3
61.96363	0.3
67.05434	0.6
67.49850	0.3
70.72170	0.7
70.72519	0.5
78.20443	0.3
79.05430	0.3
83.08550	0.4
93.06944	0.3
97.53062	0.4
137.27229	0.3
156.96811	0.3
162.24409	0.3
178.90703	0.3
209.10672	0.6
222.11348	0.5
223.12263	0.4
233.10568	0.4
235.12230	0.4
251.11391	0.6
275.19925	0.4
284.12085	0.4
306.31827	0.3
313.27371	0.4
372.14883	0.4
373.14429	0.5
374.15460	0.5
374.34387	0.3
375.15967	1.4
387.15982	1.1
388.16931	1.7
389.17599	3.9
390.18488	1.9
391.19034	1.1
401.17667	1.0
402.13989	0.8
402.19070	1.6
403.19339	6.3
404.20032	2.5
405.20648	2.8
407.22525	0.4
415.19608	0.6
416.15741	1.9
417.15948	4.1
417.20908	3.2
418.17322	1.2
418.21445	1.2
419.22446	8.3
420.22803	0.9
429.20966	0.5
430.17517	1.6
431.18332	9.5
432.19153	4.0
433.20142	3.7
441.16965	0.5
443.18579	0.5
444.19815	0.5
445.20212	7.4
446.20999	8.1
447.21667	11.1
448.22141	1.1
457.20139	0.4
459.18115	2.9
459.22784	0.9
460.18869	1.3
461.19733	1.6
462.24063	0.6
463.24695	1.2
473.19464	1.2
473.24124	0.6
474.20407	11.0
475.21133	12.5
476.21338	0.9
477.22839	0.6
478.23376	0.9
487.21295	2.8
488.21915	0.8
490.23605	2.0
491.20682	1.7
491.25546	0.5
501.22720	1.9
503.25198	0.4
504.20645	0.6
505.22430	1.0
506.22968	0.5
519.23981	12.9
520.24017	1.2
529.22278	0.6
532.20624	0.6
533.22144	0.4
547.23334	67.3
548.23883	4.2
561.24597	1.6
579.25861	4.5
589.24713	1.5
607.25421	100.0
608.25800	6.1
627.12280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
71.03768	0.5
77.91309	0.2
97.07964	0.2
118.03572	0.2
221.10593	0.3
338.16248	0.2
381.34177	0.2
387.15753	0.5
388.16739	0.7
389.17618	1.3
390.18262	0.3
401.17682	0.8
402.18411	1.1
403.19211	3.8
404.19797	1.3
405.20502	1.4
406.21738	0.2
414.18924	0.2
415.19135	0.7
416.20575	1.2
417.16599	1.0
417.21310	4.3
418.21542	2.6
419.22302	3.2
429.16168	0.3
429.20874	0.6
430.17715	1.2
430.22089	0.7
431.18097	8.0
432.18439	1.4
432.24002	0.5
433.23944	10.3
434.24707	1.0
443.18347	0.4
444.18954	0.5
444.23669	0.5
445.19760	10.7
446.20706	4.5
447.21579	3.5
447.26688	0.2
457.20090	0.5
458.20929	0.5
459.21371	4.6
460.22488	12.5
461.23300	14.7
462.24326	0.3
472.22687	0.2
473.23517	3.7
474.24081	1.3
477.22672	0.5
487.25314	1.9
488.25476	0.6
489.22708	0.3
491.24298	0.6
492.25119	0.5
493.26328	0.2
494.65042	0.2
504.25317	0.3
505.21472	2.5
506.26648	0.6
515.24316	0.7
518.23004	0.3
519.27246	2.0
532.24506	1.0
533.25208	0.4
547.26971	48.2
548.27484	1.6
549.25000	0.3
563.24402	0.2
564.27173	0.3
575.26550	1.5
579.29425	1.1
592.26892	0.2
607.29047	100.0
608.29419	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	607.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82359	1.4
74.32840	1.5
76.71039	1.5
81.47132	1.6
84.07145	1.5
140.11046	1.5
178.40579	1.8
300.14853	2.3
316.97812	1.9
338.63641	1.6
367.54773	1.7
387.15994	4.1
388.16849	3.3
389.17542	6.3
401.17612	4.0
402.18243	6.6
403.19183	19.4
404.19827	6.9
405.20566	9.6
415.19638	3.0
416.20026	6.1
417.16525	7.5
417.21548	17.0
418.21658	9.5
419.22296	20.4
430.17706	5.9
431.18051	44.1
431.23352	2.4
432.18527	8.1
433.24084	31.6
434.24527	5.3
444.18811	3.1
445.19907	51.6
446.20627	20.7
447.21600	24.4
459.21301	20.1
460.22498	48.9
461.23294	46.3
473.23499	16.5
474.23926	5.1
477.23123	3.0
487.24988	3.8
491.24554	3.1
492.25040	3.8
505.21878	14.1
518.23199	2.0
519.23883	6.0
532.24597	3.4
547.26990	100.0
575.26288	2.4
579.18329	2.0
579.29034	3.2
607.29205	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	607.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.00304	2.0
53.03945	10.3
55.01859	6.2
55.05259	1.9
55.05507	24.8
57.03442	7.3
57.07047	1.9
65.03925	3.8
67.05499	74.9
69.03425	22.6
69.07066	23.4
71.01370	1.7
71.04978	7.0
71.46445	1.3
71.53951	3.0
73.02906	2.0
79.05483	59.3
81.03409	76.8
81.07048	100.0
82.03699	1.5
83.04980	19.4
83.08607	19.2
85.02891	12.2
85.06535	6.3
91.05472	44.0
93.07032	63.4
95.04957	15.8
95.08601	31.0
97.02877	15.8
97.06532	12.4
99.04462	5.3
99.08106	4.1
103.05485	3.5
105.04528	2.1
105.07016	25.8
107.04952	4.5
107.08581	31.3
109.02863	17.7
109.06513	5.7
109.10159	4.1
111.04445	10.3
111.08083	6.5
117.07011	17.3
119.08572	14.1
121.06511	7.0
121.10119	16.9
123.08070	3.3
123.10918	1.6
123.11723	6.7
125.09639	1.9
127.03907	10.4
129.06996	4.9
131.04945	1.8
131.08559	17.5
133.06523	3.3
133.10115	16.6
134.42374	1.6
135.04436	1.7
135.08034	2.7
135.11673	12.4
136.06174	5.6
137.05989	2.5
145.06450	2.6
145.10126	3.1
147.08032	3.0
147.11652	12.7
149.09631	2.5
149.13240	22.6
155.08560	2.3
157.06479	2.0
157.10088	3.8
159.11705	16.7
161.05960	1.6
161.13292	2.2
163.11171	2.6
165.12766	6.1
170.04500	1.6
171.11755	1.6
173.04570	1.6
173.09669	2.5
175.11296	1.6
177.12691	11.6
179.14310	1.6
183.06610	3.2
191.14323	1.7
193.12221	2.5
195.13766	23.5
213.14854	5.4
219.13814	2.7
249.14806	2.2
253.17935	2.0
257.15396	2.7
261.15030	1.8
267.15942	4.8
269.17484	12.3
275.16342	2.5
293.17908	1.7
303.15897	4.9
311.18896	1.4
321.17014	6.5
339.17953	16.8
377.19720	3.2
395.20587	16.7
396.21094	1.9
463.30490	9.8
589.33252	7.6
607.34711	98.2
608.35022	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	607.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03942	10.5
55.01864	4.8
55.05505	24.7
57.03424	8.3
57.07052	1.7
57.85658	1.0
63.14928	0.9
65.03924	3.4
67.05498	76.0
69.03071	1.6
69.03419	19.1
69.07062	26.6
69.37526	9.2
71.01333	1.2
71.04974	8.4
74.45768	1.1
78.51135	0.8
78.95133	1.0
79.05486	50.7
81.03410	66.8
81.07048	95.5
83.04971	16.2
83.08608	17.3
85.02890	6.4
85.06532	4.5
91.05471	41.6
91.17894	1.0
93.07032	68.4
95.04951	13.0
95.08598	28.0
97.02882	13.5
97.06525	11.9
97.10163	3.1
98.20676	1.3
99.04442	4.9
99.08079	2.9
105.04549	2.4
105.07018	22.8
107.04952	3.9
107.08583	34.5
107.09294	2.3
109.02883	11.8
109.06529	6.1
109.10125	5.4
111.04416	10.3
111.08083	8.1
113.06036	1.4
113.09689	1.2
115.05442	1.6
117.06997	15.9
119.08551	11.6
119.68489	1.1
121.06492	5.5
121.10124	19.6
123.04429	1.4
123.08095	1.8
123.11719	4.8
125.09605	1.4
127.03893	9.3
128.06233	1.3
129.06982	5.4
131.08562	17.2
133.06490	2.9
133.10120	14.9
135.08052	2.6
135.11685	11.6
135.20229	1.1
136.06201	2.0
137.05963	1.8
139.07581	1.0
139.11182	1.8
141.06966	1.6
143.08545	2.7
145.06470	1.7
145.10117	4.2
147.07996	2.0
147.11670	12.3
149.09645	2.3
149.13246	30.0
151.11198	1.3
155.08598	1.5
157.10092	2.0
159.08109	2.6
159.11671	15.8
160.12062	1.2
161.13286	1.5
163.11272	1.9
165.12738	6.1
169.10133	2.2
171.08066	1.3
173.04492	1.9
173.13184	1.2
173.46527	1.1
175.11179	2.0
177.12759	10.0
183.06612	3.0
185.13240	1.1
193.12193	2.1
195.13783	24.8
196.27968	1.1
198.54953	1.1
201.12778	1.5
213.14783	5.4
225.14908	1.3
229.14291	1.8
231.13879	1.1
233.15317	1.8
237.14809	1.6
249.14870	2.2
253.18024	1.4
257.15411	1.7
261.14957	1.1
267.15945	5.7
269.17480	13.1
275.16479	1.7
297.17035	2.0
303.15915	2.7
321.16974	5.9
339.17932	18.9
348.07025	1.6
377.19675	2.7
395.20615	17.1
405.69775	1.2
463.30615	10.9
479.64297	1.2
544.37524	1.1
557.35205	1.9
586.33789	1.1
589.33661	2.3
607.34686	100.0
608.35089	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	609.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05508	3.7
57.03413	0.8
61.88313	0.6
67.05498	6.9
68.34185	0.6
69.07054	2.9
71.57765	1.3
71.67079	0.8
71.69119	0.6
79.05499	7.8
81.07053	8.9
81.32395	0.7
83.08627	1.2
91.05474	5.5
93.07040	7.2
95.04944	1.1
95.08601	5.1
105.07045	5.8
107.04967	0.7
107.08574	3.5
109.06515	1.0
109.10155	2.6
117.07020	2.5
119.08557	4.9
120.48183	0.7
121.10135	3.1
121.84542	0.6
123.11771	0.7
128.06274	0.8
129.07024	1.8
131.08546	4.6
133.10136	2.7
135.11646	1.7
137.06004	0.7
140.28056	0.6
143.08612	1.8
145.10086	5.1
147.11700	2.1
149.09660	1.1
155.08551	1.2
157.10127	2.7
158.51765	0.7
159.11676	3.5
161.13295	1.1
163.11142	1.3
169.10138	1.2
171.11674	0.8
173.13246	1.1
183.11694	1.3
185.13304	1.3
211.14944	0.8
231.17178	0.7
257.18988	2.3
275.20096	4.4
335.25708	1.7
377.17657	1.8
378.18570	1.0
391.19409	3.1
392.19958	1.9
393.20563	1.9
404.15833	0.9
405.16284	3.7
405.21475	1.6
406.17938	2.4
407.18356	0.6
407.22513	4.8
417.17130	0.7
418.17697	1.1
419.18289	5.7
420.19467	2.5
421.20102	2.4
433.15930	2.9
433.21161	6.2
434.21033	4.3
435.21799	10.4
436.22495	1.5
447.17426	4.1
448.18170	1.4
449.19586	1.9
461.19943	3.0
462.20441	7.7
463.21283	7.1
468.99371	0.8
475.21274	4.5
476.22186	1.2
479.20923	0.8
489.22928	2.1
501.37820	0.8
507.19855	1.2
517.22742	0.9
521.25714	8.8
534.22662	0.9
549.24933	27.0
550.25189	1.4
581.27600	1.8
609.27014	100.0
609.43933	15.4
610.27441	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	609.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.6
53.06340	2.1
55.01857	9.6
55.05509	28.9
57.03431	16.6
60.66193	2.9
61.02924	2.6
65.03945	3.4
67.05499	61.3
69.03429	23.1
69.07069	15.1
71.01350	4.7
71.04976	10.0
71.52921	2.7
71.53328	4.1
73.02891	2.5
74.65820	2.2
79.05482	54.2
81.03409	100.0
81.07048	45.5
83.04972	19.6
83.08600	16.7
85.02892	17.5
85.06537	4.9
85.81729	2.6
91.05460	41.8
93.07035	51.8
95.04957	28.6
95.08603	16.2
97.02863	20.3
97.06516	12.6
97.10160	9.2
99.04449	9.8
99.08074	3.0
103.05439	2.5
105.07011	27.6
107.04937	10.1
107.08579	29.1
109.02883	15.5
109.06493	8.9
109.10136	9.8
111.04446	12.3
111.08092	7.2
117.06985	12.2
119.04936	2.4
119.08572	27.1
121.06470	6.2
121.10149	10.7
123.04407	4.9
123.08049	4.7
123.11707	6.4
125.09618	6.8
127.03899	24.7
128.06239	2.6
129.05501	3.7
129.06987	13.6
131.04936	2.9
131.08560	13.5
133.06493	6.2
133.10107	12.4
135.08046	4.9
135.11656	30.0
137.05922	3.3
137.09593	2.9
139.03909	8.1
142.07785	3.3
143.08621	2.9
145.10141	10.1
147.08067	3.6
147.11688	14.0
149.05911	2.4
149.09573	3.2
151.03865	5.7
151.11153	5.7
155.08591	2.9
157.06535	3.0
157.10158	9.2
159.11632	2.9
161.05951	2.4
161.09602	3.5
163.11192	10.3
165.12804	5.9
173.06038	2.5
175.11247	7.0
179.03410	8.2
181.12236	10.2
191.10770	3.4
193.12225	27.1
211.13281	41.9
227.12778	5.4
228.74577	2.5
243.13840	3.0
245.04517	2.5
248.27496	2.1
253.14299	2.6
255.15910	18.0
263.05478	2.9
267.15900	11.0
283.15479	3.5
285.16910	3.5
287.05527	4.5
289.14474	2.2
325.16519	5.7
337.16418	4.3
355.17480	10.4
355.22177	3.3
363.17999	2.6
411.20062	5.4
429.26044	5.4
447.27228	15.3
465.28375	19.8
515.00201	2.3
542.83813	2.4
573.30658	3.4
591.31720	8.4
609.32617	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
53.97390	1.2
55.01863	6.1
55.05247	2.1
55.05502	28.6
57.03430	11.4
61.02922	3.5
65.03929	4.3
67.05496	52.1
69.03417	19.2
69.07059	17.5
69.23112	11.4
69.23530	2.4
71.01340	3.3
71.04987	10.9
71.44686	1.3
79.05485	51.0
79.05945	2.5
81.03408	100.0
81.07048	37.6
82.03735	1.3
83.04971	24.0
83.08611	17.9
85.02896	15.8
85.06535	4.1
90.03689	1.2
91.05466	45.0
93.06443	2.8
93.07033	49.1
95.04960	26.4
95.08586	14.2
97.02882	18.5
97.06525	10.9
97.10164	11.6
99.04441	7.3
99.08102	3.0
104.21173	1.2
105.04479	1.5
105.07011	25.5
105.07658	2.4
107.04946	8.6
107.08585	29.9
109.02879	18.3
109.06499	6.0
109.10147	9.4
111.04441	15.2
111.08086	8.4
115.05425	2.8
117.07007	9.2
119.04905	1.4
119.08575	20.3
121.06512	7.8
121.10130	14.5
123.04366	1.7
123.08045	3.2
123.11687	2.3
125.09639	5.5
127.03902	15.9
128.06206	1.4
129.05502	2.1
129.07007	9.4
130.07790	1.4
131.04936	1.6
131.08553	9.9
133.06482	4.9
133.10127	12.8
135.08044	4.4
135.11679	29.9
137.05995	1.5
137.09567	2.9
139.03922	1.7
141.06999	1.7
142.07765	2.0
143.08548	4.9
145.06474	4.6
145.10092	11.8
147.08037	3.4
147.11693	11.8
149.09613	4.2
149.13297	1.6
151.03836	1.5
151.11186	2.9
153.12778	3.8
155.08549	1.7
157.10112	8.6
159.11708	1.7
161.06046	1.6
161.09634	2.9
163.11148	9.9
165.12790	4.3
169.10114	1.2
171.07988	1.5
171.11690	1.8
173.04405	1.6
173.09637	1.8
175.11183	8.3
179.03394	2.2
181.12193	15.1
181.13367	1.2
183.06503	1.7
185.13150	1.6
189.11244	2.5
191.10609	5.5
193.12202	28.0
199.13263	2.7
199.15004	1.3
205.12206	1.3
211.13261	45.5
217.12242	1.6
219.13701	1.6
227.12724	6.9
229.14238	2.4
237.14812	1.4
243.13934	1.5
249.14702	2.0
255.15897	12.8
261.14871	2.1
267.15945	5.6
273.14984	2.3
283.15497	2.9
285.17035	3.5
287.05640	3.0
325.16391	5.0
337.16418	4.4
337.21625	1.3
347.18591	1.5
355.17529	8.2
355.22675	3.8
373.23856	2.0
381.18979	3.7
411.20102	5.2
422.88953	1.4
429.26511	6.2
447.27316	23.9
453.03574	1.6
465.28452	13.1
489.28296	2.4
555.29541	2.6
573.30493	1.9
591.31812	5.6
609.32599	69.7
610.32935	3.0
625.03113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03935	1.0
55.01859	2.4
55.05505	14.9
57.03419	3.8
57.07061	1.5
65.03920	1.8
67.05498	30.6
69.07059	13.6
71.04984	1.3
75.58128	0.9
79.05045	1.6
79.05482	19.8
81.03374	1.0
81.07050	29.6
83.04973	2.6
83.08608	7.9
85.06547	1.0
91.05460	17.1
93.07035	21.6
95.04962	1.4
95.08592	21.6
97.06541	2.3
97.10156	3.6
98.20772	2.2
105.07027	17.0
107.08578	11.4
109.06458	1.1
109.10144	11.4
111.08092	1.2
115.05453	1.3
117.07008	9.3
119.08559	16.5
121.06465	1.0
121.10135	8.2
123.08098	1.5
123.11694	2.2
125.09608	1.6
128.06224	4.0
129.06987	11.0
131.08545	16.6
133.10107	11.4
135.11688	4.8
137.09669	0.9
137.13226	1.1
139.11105	1.2
141.06961	5.8
142.07780	2.8
143.08536	14.1
144.09186	1.0
145.10106	18.7
147.11667	7.4
149.13248	3.3
153.06940	1.0
154.07768	1.6
155.08522	14.5
155.09688	1.1
156.09296	1.7
157.10117	16.2
159.11674	10.5
161.13300	4.4
163.14674	1.0
165.06973	2.6
166.07761	1.0
167.08525	7.7
168.09348	2.2
169.10123	17.8
170.10858	1.1
171.11659	12.2
173.13216	7.4
175.14784	1.6
179.08556	3.0
181.10094	9.4
182.10886	1.8
183.11678	13.6
185.09708	1.0
185.13231	9.8
187.14796	3.9
189.12755	0.9
189.16373	1.5
193.10097	3.1
194.10883	1.5
195.11681	9.3
196.12524	1.2
197.13235	12.8
198.13771	1.1
199.14766	7.5
201.16414	2.2
206.10942	0.9
207.11671	3.0
209.13229	8.5
211.14882	8.7
213.16376	4.2
219.11607	1.1
221.13275	3.2
223.14836	6.4
225.16397	6.2
227.17972	5.0
229.68401	1.2
233.13216	1.9
235.14745	2.9
237.16386	3.8
239.17969	5.5
241.17845	1.3
249.16495	2.5
251.17897	2.1
253.19632	2.2
257.18997	1.9
265.19449	1.3
275.20105	3.8
285.22137	0.9
293.22403	1.7
299.20090	1.3
337.25262	2.0
341.24838	1.3
347.23206	1.1
351.26752	1.9
363.26773	1.4
365.28394	1.3
367.26154	1.3
381.27615	1.2
384.38474	0.9
391.30093	1.5
393.31497	1.9
407.29163	1.3
447.32468	1.4
461.33688	1.7
499.39398	2.9
515.37506	1.2
517.40320	15.6
521.35944	1.6
535.41547	8.0
553.42236	1.2
573.42786	2.2
591.44110	15.8
609.45032	100.0
610.45306	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	609.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43393	0.5
53.03934	1.9
55.01863	3.3
55.05506	16.6
55.05774	1.0
57.03432	4.6
57.07063	2.5
65.03932	1.9
67.05497	31.0
69.06710	0.9
69.07063	13.3
70.36353	0.5
71.04982	1.7
71.08613	0.8
79.05486	22.0
79.05952	1.2
81.07048	27.3
83.04980	2.1
83.08613	7.9
85.06523	1.1
91.05471	19.2
93.06452	1.4
93.07029	22.6
95.04959	3.3
95.08593	24.6
97.06549	2.7
97.10159	3.6
99.08070	0.8
103.05485	0.8
105.07018	19.1
107.07853	1.0
107.08581	15.1
109.06516	1.7
109.10141	10.1
111.08073	1.2
115.05445	0.7
116.06225	1.1
117.07003	10.5
119.08568	15.9
121.10124	9.7
123.08100	1.2
123.11688	3.5
125.09644	1.7
128.06175	3.8
129.06996	11.6
130.07813	0.9
131.08542	16.2
131.09486	0.9
133.10120	12.7
135.11716	5.5
137.09599	0.7
137.13268	1.0
139.11243	0.6
141.06967	5.7
141.58676	0.5
142.07784	3.1
143.08546	18.5
143.41278	0.7
144.09323	1.0
145.10109	19.3
147.11668	7.2
147.62961	0.6
149.09673	1.1
149.13242	3.0
151.11166	0.9
153.07004	1.9
154.07788	1.8
155.08542	13.1
156.09349	2.0
157.10115	15.9
159.11682	11.4
161.13239	3.9
163.11191	0.7
165.06984	1.6
166.07713	0.8
167.08534	7.5
168.09372	2.8
169.10120	16.7
170.10896	1.1
171.11665	14.3
173.09515	0.5
173.11885	1.0
173.13226	6.9
175.14751	2.7
179.08524	2.8
180.09319	1.1
181.10092	10.1
182.10867	1.5
183.11671	18.5
184.12396	0.7
185.13248	9.6
187.14832	3.0
189.16437	1.0
193.10133	2.7
194.10844	1.2
195.11681	11.2
196.12387	1.2
197.13223	12.3
198.13693	0.9
199.14830	6.6
201.16414	2.5
205.10167	1.3
207.11664	3.4
209.13239	8.8
209.15118	0.9
210.13991	1.1
211.12973	0.9
211.14810	8.2
213.16408	5.3
215.17897	1.2
219.11771	1.0
220.12413	0.8
221.13252	3.8
223.14769	5.9
225.16322	5.0
227.17992	3.3
232.32675	0.6
233.13333	0.7
233.19083	0.7
235.14864	2.6
237.16368	3.5
239.17998	4.1
241.19547	2.1
247.14821	1.2
249.16438	2.2
251.17964	2.2
253.19537	2.4
255.21368	0.7
257.18961	3.7
259.20438	0.7
261.22189	1.1
263.17917	0.9
265.19565	2.2
269.19031	0.7
275.20135	4.8
277.19424	1.4
279.20963	0.8
281.18951	0.6
281.22287	0.8
283.20505	1.2
295.24149	0.7
297.21939	0.8
303.20871	0.6
305.22382	0.7
307.20593	0.9
307.24121	0.7
309.22232	1.0
311.20074	0.9
311.23660	1.1
321.22232	1.1
323.23752	1.7
331.22687	1.3
335.26120	1.1
337.21649	0.8
337.25351	1.8
349.25278	2.2
351.26852	3.0
353.24338	0.9
357.24063	0.8
363.26865	1.4
365.28412	2.0
377.28342	1.3
379.25943	0.7
379.30173	0.8
389.28598	0.8
391.30157	0.9
393.27292	0.7
393.31778	1.3
405.31686	1.3
409.30811	1.0
421.31009	1.3
435.32654	0.8
447.32547	1.5
487.34351	1.1
499.39282	2.3
501.35263	0.9
505.15805	0.7
513.35687	0.7
515.37878	0.7
517.40405	12.9
521.36206	0.7
523.38226	0.8
527.37054	0.9
535.41461	7.4
539.37347	1.4
553.41962	1.3
573.43530	2.7
591.44086	12.7
609.25867	4.6
609.45056	100.0
610.45361	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	611.1385
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
55.01862	1.0
56.12801	0.7
65.03942	1.7
65.53448	0.7
67.05486	1.2
68.99776	6.1
80.76205	0.8
81.03402	2.6
83.04965	1.4
85.02895	1.1
93.03442	0.9
95.04956	1.4
97.37395	0.8
98.21600	1.2
99.04457	1.5
105.03400	0.8
107.04958	2.4
109.02866	3.9
111.00800	7.4
111.04408	1.9
121.02840	1.9
123.04414	11.2
127.03899	84.1
131.04915	1.4
133.02844	2.9
135.04408	6.5
137.02338	2.4
139.03882	100.0
140.04164	1.1
145.02823	2.6
145.06448	0.8
147.04402	8.5
149.02335	1.6
151.03879	30.0
155.03404	1.6
155.04895	0.9
157.06493	1.9
159.04437	2.5
161.05927	1.7
163.03893	22.0
163.05196	1.6
165.01897	1.0
165.05536	1.5
167.03386	2.7
169.04938	1.3
171.04466	2.3
173.06039	0.9
175.03883	16.3
177.05455	4.5
179.03371	41.7
181.04941	7.5
185.05966	2.1
187.03831	1.5
189.05486	6.1
191.03358	7.1
193.04939	7.1
195.06436	1.1
197.05989	1.0
199.03914	1.7
201.05463	3.8
203.03372	26.0
205.05013	2.1
213.05441	5.9
215.03366	1.3
217.04945	6.0
219.06674	1.2
221.04538	1.4
227.03328	1.4
229.04962	5.6
231.06412	4.0
233.04404	2.5
241.04945	2.6
243.06520	1.2
245.04443	16.2
247.05899	1.9
253.05040	1.4
257.04419	18.3
258.04965	1.7
259.06003	3.2
263.05435	10.3
269.04425	5.1
271.06088	4.7
275.05435	16.9
281.04538	1.4
283.06158	1.2
287.05469	60.7
288.05975	1.2
289.06995	2.7
299.05472	17.8
299.08536	1.5
301.07028	1.7
303.04947	12.4
305.06512	5.9
307.08133	5.1
311.05463	2.3
317.06537	13.4
319.08096	1.4
329.06653	0.9
349.08887	1.5
407.07642	2.1
425.08597	30.0
437.08685	2.5
443.09778	9.3
449.08417	1.9
467.09552	4.7
485.10620	0.9
519.13354	1.5
543.87482	0.8
611.17474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Prodelphinidin B2
Peak:m/z	Relative Intensity
55.01868	1.4
57.50281	0.7
65.03928	0.7
67.05469	0.7
68.99777	5.3
69.79340	0.6
71.33304	1.4
76.60735	0.6
81.03410	2.9
93.03449	0.6
95.04953	1.4
105.03412	0.9
105.07020	0.8
109.02877	3.7
111.00792	6.3
111.04410	1.3
113.97871	0.7
121.02853	1.8
123.04407	9.1
127.03903	85.4
133.02826	1.9
135.04408	2.7
137.06017	0.7
139.03883	100.0
140.04161	0.7
144.14156	0.7
145.06490	0.6
147.04366	3.7
149.02344	2.1
149.05922	0.7
151.03885	28.5
153.01831	0.9
155.03372	1.9
159.04431	0.9
161.53914	0.8
163.03905	10.1
165.05466	2.6
167.03424	4.9
168.69130	0.7
169.04956	2.3
170.91287	0.7
171.04407	1.2
173.06029	1.0
175.03894	12.2
175.07471	0.7
177.05438	4.6
179.03375	32.8
181.04961	3.9
185.06046	1.3
187.03922	0.8
189.05423	3.4
191.03377	12.7
193.04924	3.5
197.06026	1.1
199.01050	0.8
199.03909	1.7
201.05559	4.0
203.03386	19.0
205.04930	1.7
211.03796	1.0
213.05501	4.6
215.03172	0.7
217.04959	3.9
219.06444	1.7
229.04945	4.9
231.06535	3.0
233.04439	7.7
241.04956	2.6
243.06645	1.0
245.04462	12.3
247.05901	1.7
251.05487	1.9
257.04422	16.0
259.06058	3.6
263.05493	17.1
269.04388	4.0
271.05972	2.2
275.05472	22.8
275.08411	1.4
287.05481	39.1
289.07065	2.9
299.05457	17.5
301.07193	0.7
305.06476	9.2
307.08023	7.2
311.05487	1.2
317.06512	20.0
319.08063	0.9
353.71484	0.9
407.07605	2.1
425.08572	22.3
436.36868	0.7
437.08670	1.0
443.09659	12.1
449.08347	0.9
467.09558	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	611.1385
Annotation	56343-26-1
Peak:m/z	Relative Intensity
50.69774	0.4
55.05496	0.4
63.45506	0.4
65.03923	0.8
66.69386	0.3
69.30765	3.7
70.06537	0.4
71.04982	0.5
81.03400	0.7
85.02890	1.5
86.09708	0.8
91.05462	8.6
93.03384	0.4
95.08581	0.5
97.06411	0.5
109.02864	1.1
119.04932	20.9
121.02868	0.9
121.10146	0.4
127.03892	2.1
131.04964	0.4
137.02347	1.9
137.05988	0.7
139.03899	1.1
146.03534	0.4
147.04396	100.0
148.04721	1.1
151.03929	0.9
153.01831	2.2
161.05963	0.6
165.01811	0.5
165.05594	0.5
167.07010	0.7
179.03358	0.8
179.75362	0.4
183.02888	0.5
201.05482	0.7
229.04901	1.8
257.04440	2.0
285.04071	0.5
291.08490	0.6
299.05624	1.2
303.04968	43.1
304.05389	0.6
309.09659	4.5
320.70956	0.4
344.59076	0.4
345.06113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
51.25783	0.5
53.00306	1.1
53.03946	0.7
55.01863	1.7
62.01087	0.5
65.03940	1.4
68.99780	6.3
69.21043	7.1
70.79759	0.5
73.69836	0.6
81.03421	3.5
91.05510	0.6
91.50340	0.5
95.04965	1.0
99.04426	1.3
105.03383	1.1
109.02853	4.4
110.14914	0.6
111.00799	6.4
111.04475	1.2
112.00375	0.6
121.02864	1.9
123.04417	9.8
127.03900	100.0
133.02788	2.9
135.04411	2.6
139.03883	81.7
140.04253	1.0
141.84250	0.6
147.04395	7.6
149.02332	2.1
151.03886	28.4
153.01810	1.0
153.05461	0.6
155.03368	2.0
157.06537	0.8
159.04369	1.9
161.05984	1.2
163.03874	8.2
165.05473	1.4
167.03413	3.7
169.04970	1.4
171.04395	2.0
175.03894	12.3
177.04106	0.7
177.05437	4.6
179.03377	33.5
181.04910	3.2
183.04388	0.6
185.05942	1.6
187.03865	1.1
189.05466	2.8
191.03362	8.6
193.04938	3.2
197.06004	1.2
199.03880	2.5
201.05496	3.4
203.03369	17.6
205.04904	1.4
213.05492	4.9
217.04964	3.8
225.05460	0.8
229.04924	4.3
231.06537	2.4
233.04417	3.3
241.04961	2.2
243.06583	0.8
245.04407	7.3
247.06039	0.8
251.05374	1.0
253.04979	0.9
257.04443	7.6
258.05026	0.8
259.06030	2.7
263.05493	16.4
269.04410	1.9
271.06122	2.1
275.05466	16.4
287.05460	42.3
288.05814	0.9
289.06943	3.1
299.05457	17.6
305.06546	9.1
307.08072	7.4
311.05475	0.7
317.06528	15.3
364.63852	0.6
407.07428	1.8
425.03061	1.1
425.08606	17.7
443.09711	8.1
495.80682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1385
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00309	1.2
53.03926	1.7
55.01869	1.2
65.03931	1.9
68.99788	6.2
69.03419	4.0
69.26649	9.0
69.27046	3.1
73.02904	2.2
81.03411	3.4
83.04986	2.1
85.02910	7.2
91.05594	1.1
93.03363	1.1
95.04948	1.8
97.02850	2.2
98.21452	1.9
98.97566	1.7
105.24663	1.1
109.02885	5.9
111.00811	7.4
111.04464	3.7
115.03835	1.1
121.02842	2.2
123.04416	9.8
127.03904	99.3
133.02852	3.1
135.04424	2.5
139.03888	100.0
145.04913	2.5
147.04373	10.7
149.02354	1.4
151.03896	29.2
153.01805	3.5
155.01770	1.3
159.04358	2.6
161.03009	1.3
163.03908	10.1
165.05359	2.4
167.03362	4.8
169.04962	1.6
171.04375	1.9
175.03899	16.0
177.05484	4.8
179.03377	38.0
179.04889	2.7
181.04967	3.9
183.04353	1.6
187.04100	1.6
189.05455	4.4
191.03397	11.3
193.04958	4.4
197.03009	1.2
199.03883	3.8
201.05513	3.9
203.03371	17.4
205.04994	2.7
209.85017	1.2
213.00040	4.9
213.05446	5.0
215.03523	1.6
217.04903	4.4
219.01833	1.2
229.04977	6.2
231.06491	3.3
233.04427	6.8
241.05005	2.4
245.04460	14.0
245.29294	1.2
251.05547	1.5
257.04422	13.6
259.05978	2.6
263.05496	17.3
269.04672	2.5
272.06674	1.7
275.05499	18.8
287.05496	38.7
299.05450	17.5
303.04987	6.8
305.06592	9.0
307.08136	7.4
317.06567	20.0
362.09668	1.8
423.08093	1.3
425.08597	19.6
443.09650	8.2
467.10025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Rutine
Peak:m/z	Relative Intensity
50.59212	0.3
53.03933	0.5
57.03434	1.8
61.02926	0.7
68.99799	0.3
69.03407	0.8
69.25358	1.1
69.25780	2.5
71.04986	11.2
75.04450	0.5
76.95479	0.3
81.03391	0.3
83.04974	0.6
85.02896	15.0
91.03919	0.3
96.57111	0.3
97.02872	1.6
109.02849	0.7
111.00813	0.5
111.04411	0.4
120.64223	0.4
121.02863	1.0
121.69191	0.4
127.03876	0.8
129.05469	3.6
136.46150	0.3
137.02327	2.4
145.04924	0.8
147.06523	0.9
153.01814	2.9
163.03859	0.5
165.01802	1.4
183.02820	0.5
201.05463	1.2
229.04915	3.3
247.06032	0.4
257.04337	1.9
274.04584	0.4
285.03937	0.9
303.04962	100.0
304.05304	2.6
345.06314	0.3
465.10245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Cyanin
Peak:m/z	Relative Intensity
57.03418	0.8
61.02925	7.6
67.49944	0.4
67.71902	0.5
68.99775	0.5
69.03406	1.4
71.04983	1.2
71.54877	0.6
71.59168	0.4
73.02925	2.9
77.96338	0.4
79.05489	0.5
81.03400	0.6
85.02419	0.8
85.02901	11.4
91.03951	5.9
97.02885	4.2
99.04428	0.8
109.02868	1.1
111.00806	0.8
119.04865	0.6
120.08068	0.4
121.02869	3.3
127.03897	3.3
133.02831	0.6
137.02328	0.5
139.03938	0.6
142.40132	0.4
145.04961	3.1
147.04414	1.5
153.01801	4.0
163.03886	1.2
163.05956	1.2
165.01804	1.5
166.12122	0.4
179.67772	0.4
183.02867	0.6
189.79248	0.4
213.05467	1.4
231.06465	0.9
241.04857	0.9
258.05215	1.3
287.05478	100.0
288.05896	2.2
299.05515	2.9
302.04196	0.6
303.04987	7.4
311.05438	1.1
317.06592	0.7
325.07071	0.9
329.06482	2.2
353.06503	2.3
361.02322	1.0
413.08859	0.7
419.06021	0.6
431.09528	0.8
449.10699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
50.51697	0.8
55.05481	0.7
57.03435	4.1
61.02919	4.0
62.09242	0.6
68.99780	0.8
69.03420	3.3
70.51608	2.8
71.04977	4.4
73.02917	6.9
74.41780	0.7
79.53995	0.7
85.02897	11.1
89.07142	5.4
89.16736	0.8
91.03944	2.0
91.05449	0.7
92.02596	1.0
93.03400	1.0
97.02885	4.8
109.02882	1.3
110.57797	0.7
115.03928	2.1
121.02858	1.6
123.04401	0.8
127.03912	2.4
129.05473	1.8
137.02309	1.9
139.03889	2.5
145.04918	1.3
147.04416	1.4
147.06523	1.1
151.03960	1.8
153.01823	10.7
163.03917	1.4
163.06097	0.7
165.01826	1.2
191.03120	0.7
201.05423	1.5
202.82697	0.8
209.57887	0.7
213.05412	1.1
221.69589	0.8
228.04076	0.9
229.04900	4.5
245.04459	1.5
246.05139	2.0
257.04449	3.9
273.03912	1.6
274.04691	4.9
285.03879	4.2
287.05597	2.8
302.04184	12.2
303.04959	56.8
303.32889	0.7
304.05310	1.9
314.04092	0.8
315.05145	1.1
317.06534	100.0
318.06790	2.2
329.06516	3.1
340.74969	0.9
341.06577	0.9
359.07669	4.3
364.21259	0.7
383.07574	3.5
384.11099	0.8
425.08533	0.8
437.08640	0.8
461.10773	1.0
479.11777	3.0
518.39441	0.9
622.61060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Rutine
Peak:m/z	Relative Intensity
55.35574	0.3
57.03425	1.7
61.02916	0.6
69.03404	0.4
69.87138	1.4
71.04985	9.8
73.02891	0.5
75.04472	0.5
78.92001	0.3
81.03385	0.6
83.04967	0.5
85.02893	12.6
87.26357	0.3
91.03936	0.5
95.04931	0.2
96.41711	0.2
97.02882	0.8
109.02853	0.5
111.00748	0.6
121.02823	0.6
127.03858	0.8
129.05446	3.1
137.02328	2.3
145.04947	0.6
147.06496	0.9
149.02315	0.3
153.01793	2.7
165.01834	1.0
166.02570	0.3
173.05878	0.4
183.02924	0.4
195.02762	0.3
201.05432	1.0
229.04991	3.0
247.06009	0.4
257.04434	2.6
274.04758	0.8
275.05350	0.3
285.03885	1.0
286.45334	0.3
287.05533	0.3
293.38675	0.3
303.04950	100.0
304.05255	2.5
315.04861	0.9
345.06165	0.6
440.11096	0.3
445.30011	0.3
447.09274	0.3
465.10306	2.0
502.64761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03917	0.3
53.54758	0.3
57.03436	3.3
59.83703	0.3
62.75611	0.3
64.47354	0.2
69.03416	1.0
71.04984	20.2
71.28580	0.5
73.02898	0.4
75.04460	0.7
81.78742	0.3
85.02895	25.0
86.21465	0.3
93.03385	0.4
97.02865	0.4
99.04443	0.5
99.47437	0.3
100.90022	0.3
103.28395	0.3
109.02850	0.4
111.00796	0.9
111.04433	0.4
121.02850	1.0
123.04387	0.5
127.03886	2.6
129.05461	5.5
130.04945	0.4
135.04376	0.3
137.02303	3.2
139.03882	2.0
145.04947	0.4
147.04399	0.8
147.06493	0.8
147.07652	0.4
147.32083	0.3
149.02316	0.4
151.03889	1.0
153.01805	3.6
161.05946	0.4
163.03885	1.9
165.01854	1.9
166.08707	0.3
179.03354	0.7
183.02907	1.0
191.03426	0.4
201.05428	1.1
203.03410	0.6
213.05402	0.6
229.04927	4.2
231.06644	0.4
245.04376	0.5
247.06009	0.5
249.39262	0.3
257.04495	2.5
259.05862	0.4
263.05603	0.3
274.04669	0.8
285.03854	1.2
287.05463	16.8
288.05765	0.5
299.05502	0.8
303.04947	100.0
304.05295	3.3
315.04810	0.3
329.06522	0.6
345.05988	0.7
371.09076	0.4
384.71194	0.3
404.58490	0.3
425.08740	0.5
449.10504	1.2
465.10245	15.3
466.10260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01859	4.1
55.05505	15.5
57.03432	7.9
57.07062	2.3
60.11963	1.0
65.03942	2.7
67.05497	42.7
68.05849	1.3
69.03416	2.0
69.07061	11.0
69.24554	1.1
69.24907	13.2
71.04971	2.8
79.05484	32.3
80.05836	1.7
81.03414	4.2
81.07049	37.9
83.04978	2.7
83.08628	5.2
85.02865	1.1
91.05468	25.1
92.05800	1.3
93.07032	28.8
94.07379	1.5
95.01318	30.8
95.04961	11.0
95.08598	25.7
97.06514	2.3
97.10152	4.8
98.21518	2.3
103.05432	1.3
105.07012	16.2
107.04947	7.0
107.08585	14.6
109.06507	2.8
109.10143	11.7
111.08064	2.6
115.05408	3.1
117.06989	6.8
119.04940	6.8
119.08555	9.8
121.06490	3.8
121.10131	12.4
123.04417	3.5
123.08073	1.7
123.11622	1.4
125.09640	3.4
128.06192	1.4
129.06995	6.2
131.04900	3.5
131.08554	10.6
133.06479	5.1
133.10126	6.2
135.11678	7.8
141.07007	2.3
143.08556	3.4
145.06496	4.8
145.10112	6.5
147.04393	100.0
147.08058	1.9
147.11670	4.3
148.04713	1.6
149.06004	1.9
149.09641	2.5
149.13274	3.4
155.08511	3.1
157.06465	3.1
157.10132	2.2
159.08017	2.2
159.11685	4.4
161.05977	8.0
161.09647	1.2
161.13246	2.8
163.11115	2.4
163.14754	1.5
166.07707	1.5
167.08604	1.6
169.10078	1.8
171.04420	2.0
171.08044	2.1
171.11697	1.8
173.05989	3.4
173.09572	2.4
173.13179	2.7
174.94131	1.1
175.14853	1.7
181.06442	1.7
181.10042	1.3
183.08051	1.4
183.11719	2.2
185.05923	2.1
185.13246	1.3
187.11211	1.3
187.14790	3.1
195.11768	2.0
197.09598	1.8
213.12723	2.0
223.11201	1.6
227.12761	1.6
241.12236	3.2
243.21082	2.3
259.13278	84.9
261.22205	5.3
275.20053	2.0
277.14310	3.9
289.14288	7.5
297.14935	2.6
313.17804	1.7
315.15811	7.9
317.25366	1.3
333.16916	21.2
335.25754	34.7
393.72394	1.2
510.68378	1.3
516.14203	1.3
519.34448	1.7
593.38239	6.7
611.38300	13.4
611.47229	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35704	0.3
52.93518	0.3
53.03943	1.1
55.01857	0.6
55.05503	7.8
57.03428	2.7
57.07065	1.5
58.47775	0.3
65.03938	1.2
67.05495	21.4
69.07062	7.8
70.79755	0.3
71.04976	1.1
71.08626	0.5
75.15250	0.3
79.05484	13.0
81.07047	22.7
83.04974	0.7
83.08608	4.9
85.06536	1.1
91.05466	13.6
93.07035	18.9
95.04922	1.8
95.08594	18.0
97.06538	1.3
97.10172	2.4
99.08091	1.1
102.45381	0.4
105.07017	14.0
107.07848	0.6
107.08580	12.1
109.06522	0.7
109.10151	8.2
111.08115	1.0
111.11731	0.5
113.09654	0.5
115.05435	0.5
117.07005	6.0
119.08563	13.2
121.10127	9.9
123.08102	0.5
123.11682	4.0
125.09586	0.7
128.06227	1.2
129.05501	0.5
129.06985	4.6
130.07771	0.4
130.72549	0.4
131.08556	11.1
133.10121	9.8
135.08025	0.5
135.11684	7.8
137.09596	0.9
137.13263	0.9
139.11151	0.7
141.07019	1.2
142.07811	0.5
143.08540	6.1
144.09312	0.6
145.10106	11.6
147.08052	0.4
147.11664	10.5
149.09630	0.5
149.13245	4.1
151.14896	0.6
155.08545	2.7
156.09392	0.5
157.10098	5.6
158.10970	0.4
159.11668	9.5
161.09554	0.4
161.13251	8.2
163.11179	0.6
163.14828	1.9
167.08586	0.8
169.10106	3.6
171.11665	7.1
172.12498	0.5
173.13255	7.5
175.11266	0.5
175.14819	3.2
177.12717	0.7
177.16420	0.9
179.14371	0.4
181.10146	1.7
182.10930	0.4
183.11650	3.6
185.13226	5.8
187.14807	4.3
189.12740	0.5
189.16411	1.4
190.45328	0.3
193.10182	0.5
195.11723	1.0
197.11748	0.6
197.13197	2.6
199.13197	0.8
199.14780	4.0
201.16368	2.4
203.14493	0.3
203.18010	0.9
209.13263	1.6
211.14769	2.4
213.14766	0.4
213.16457	2.7
215.17865	2.3
217.15942	0.6
217.19458	0.6
221.13206	0.8
223.14790	1.2
225.16359	1.6
227.17960	1.7
229.19519	1.2
231.21138	1.5
235.14833	0.6
237.16316	1.0
239.18071	2.0
241.19589	6.2
243.21098	0.8
245.19247	0.4
255.21233	0.7
257.18967	2.8
259.20544	13.8
261.22089	3.7
267.20731	0.3
269.18906	0.5
273.22159	0.7
275.20020	0.6
277.21637	0.7
283.20554	0.6
285.22034	0.8
287.23718	0.6
297.21957	0.9
299.23755	0.9
301.21600	0.5
311.23770	1.1
313.21762	0.5
313.24976	0.8
315.23169	1.2
321.24500	0.4
325.25305	1.1
331.22803	0.6
333.24222	9.0
335.25800	14.3
337.27411	1.2
339.26743	1.1
341.24713	0.6
343.26425	0.4
351.26553	0.5
353.24652	0.6
353.28421	1.3
365.28476	0.7
367.30087	1.0
369.27756	0.6
379.29910	0.6
381.31589	1.0
391.29672	0.6
395.29025	0.7
395.33624	0.5
397.30829	0.6
407.33463	0.5
409.30814	0.6
423.32394	0.6
427.32245	0.7
435.32059	0.6
437.34232	0.5
449.33820	0.8
461.32727	0.7
463.35516	0.5
475.34152	0.6
487.34436	0.5
489.35950	1.0
501.35175	0.9
501.41556	0.9
503.37100	0.7
515.37201	0.8
519.41998	6.7
523.38037	0.6
527.37598	0.8
529.38965	1.2
537.43005	3.5
541.39209	1.9
542.39606	0.6
555.42059	0.5
569.42224	0.5
575.43915	0.6
583.44171	0.4
593.45508	7.6
611.46619	100.0
612.46631	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03931	2.3
55.01866	2.3
55.05499	17.3
55.73088	1.0
57.03429	5.2
57.07067	3.3
65.03931	2.7
66.10331	0.9
67.05494	43.1
69.03442	1.2
69.07052	16.3
69.07394	1.3
69.84219	5.3
71.04986	2.5
71.08623	2.2
79.05479	32.2
81.07043	43.3
83.04971	1.9
83.08600	10.0
85.06547	1.8
89.06014	2.2
91.05463	27.6
93.07030	37.5
95.04973	4.1
95.08590	35.5
97.06524	2.4
97.10169	3.8
98.21609	0.9
99.08090	0.9
105.07012	29.8
107.08572	18.3
109.10130	13.5
111.08064	1.9
115.05460	2.4
115.80445	0.8
116.06314	0.9
117.06995	14.8
119.08562	28.4
121.10122	16.2
123.08089	1.6
123.11710	3.8
125.09618	1.3
128.06233	2.1
128.42236	0.9
129.06972	8.5
130.07764	1.8
131.08539	20.1
133.10115	20.8
135.11684	10.5
141.06989	3.3
142.07759	1.7
143.08527	13.9
145.10085	21.8
147.11661	15.5
149.13240	6.8
155.08519	4.8
157.10114	12.0
159.11665	16.4
161.13231	10.7
163.11205	1.7
163.14850	3.7
167.08539	1.4
169.10057	7.7
170.10745	1.3
171.11649	13.2
173.13234	10.6
175.14789	5.3
177.12685	1.2
177.16284	1.7
181.10184	2.5
183.11710	6.4
185.13213	8.2
187.14841	5.4
195.11699	3.2
197.13297	4.1
199.14833	6.5
201.16411	3.3
209.13243	2.5
211.14856	3.8
213.16385	4.8
215.17992	2.1
217.19551	1.2
225.16420	2.5
227.18002	1.4
229.19489	1.5
231.21098	1.4
237.16296	1.1
239.18013	1.8
241.19606	6.8
243.21278	1.1
255.21150	1.5
257.19055	4.0
259.20526	15.4
261.22192	2.6
275.20074	1.7
285.18607	1.0
287.23770	1.1
297.22150	1.3
315.23370	1.5
333.24146	8.0
335.25745	12.8
353.28513	1.3
367.30319	1.0
387.29059	1.0
501.41165	1.6
515.36633	1.0
519.41925	7.8
537.42896	4.0
541.38843	1.1
575.44348	1.2
593.45911	6.6
611.46649	100.0
612.46936	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92908	1.0
53.03940	3.1
55.05504	12.4
57.03421	4.7
57.07074	1.4
59.81270	1.3
61.85474	1.2
65.03927	1.8
67.05499	34.4
67.98917	1.0
69.07059	14.9
70.67258	1.1
70.72383	3.0
71.04970	2.2
71.08588	1.7
79.05490	19.4
81.07046	36.8
82.97791	1.0
83.05014	1.1
83.08607	6.2
83.82095	1.2
87.55507	1.2
89.19410	1.0
91.05465	22.7
93.07035	26.9
95.04961	3.2
95.08597	29.4
97.06543	2.5
97.10178	3.5
105.07021	23.5
107.08589	20.4
109.06490	1.4
109.10153	12.6
111.08112	1.4
116.36687	1.2
117.06995	9.8
119.08572	22.0
119.09360	1.9
121.10133	14.8
123.08050	1.9
123.11701	4.4
129.06989	6.5
129.61491	1.0
131.08540	18.3
133.10117	16.9
135.11679	11.3
141.06993	1.6
142.07805	2.0
143.08546	10.5
144.39288	1.4
145.10100	16.9
147.11661	15.2
149.09537	1.5
149.13197	6.5
155.08586	5.0
157.10144	10.9
159.11700	14.6
161.13235	10.3
163.11180	1.3
163.14835	3.7
169.10158	4.7
171.11642	10.3
173.13228	10.5
175.14783	2.9
177.12663	1.4
179.14224	1.3
181.10095	2.6
183.11697	4.7
185.13226	7.9
187.14838	5.5
189.16470	1.7
193.10027	1.2
195.11684	2.2
197.13248	4.2
199.14835	6.2
201.16380	2.9
209.13266	2.7
211.14850	2.5
213.16423	3.8
215.17963	2.4
223.14926	1.5
225.16360	1.5
227.17979	2.4
239.18001	1.7
241.19658	7.4
242.04823	1.1
243.21051	1.9
257.19009	3.4
259.20529	13.6
261.22168	4.4
267.16061	1.3
277.21753	1.5
323.23923	1.2
325.25238	1.4
333.24158	11.4
335.25708	17.2
337.27487	2.6
339.26556	1.4
367.29904	1.4
437.34796	1.2
459.58466	1.3
503.36993	1.6
519.42157	8.8
537.42859	3.9
593.45685	8.3
611.46619	100.0
612.47009	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	612.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76998	14.7
55.05502	28.3
55.13972	16.4
57.03425	20.5
60.11117	21.7
67.05480	84.4
69.07048	28.7
69.28812	16.8
71.53781	26.7
79.05486	55.8
81.03413	77.6
81.07045	100.0
91.05477	68.1
93.07043	41.1
95.04938	40.4
95.08605	64.2
105.07013	43.6
107.08578	30.5
109.10176	22.7
117.07011	36.9
119.08557	37.4
121.10114	41.6
130.24821	16.2
131.08493	23.2
133.10106	19.7
135.11716	21.0
141.56143	16.6
145.10165	19.1
146.14622	17.4
147.11676	23.1
193.12189	25.7
267.15848	99.6
335.25620	86.5
401.46136	20.5
527.37012	49.7
545.38922	20.5
603.32410	18.8
612.46558	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26312	0.5
57.03432	2.9
58.23700	0.4
58.91726	0.6
59.17181	0.5
60.59111	0.5
61.02924	3.3
61.27706	0.4
61.77278	0.5
65.30426	0.5
69.03431	2.8
71.01333	0.5
71.52943	1.2
73.02905	7.3
85.02900	4.3
91.03922	2.6
97.02897	4.6
109.02866	0.6
115.03931	2.5
117.32667	0.5
121.02892	1.0
127.03909	1.9
131.04930	0.6
133.04968	0.5
137.02342	8.4
137.03391	0.9
142.80289	0.6
145.04913	0.9
147.04372	1.2
149.16438	0.5
153.01839	2.1
163.05939	0.8
169.01308	2.7
181.01357	0.7
189.05482	0.7
199.03841	1.2
217.04939	0.7
227.03304	0.6
245.04451	2.2
273.03900	6.7
287.05258	0.9
301.03406	8.7
301.06561	0.5
303.05011	1.2
319.04456	100.0
320.04663	1.9
328.11371	0.6
331.04401	1.0
361.05283	1.1
427.06439	0.6
451.08652	0.7
481.09888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1392
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
51.24181	0.4
51.68288	0.4
53.03900	0.4
55.08084	0.4
57.03437	2.7
61.02919	4.3
61.29290	0.5
68.99783	1.2
69.03427	3.3
71.08652	0.6
71.08996	1.0
73.02913	8.1
85.02895	5.2
86.40166	0.4
91.03934	2.7
97.02879	3.9
101.92296	0.5
105.35725	0.4
109.02892	1.3
111.00777	1.7
115.03913	2.9
127.03896	1.6
137.02339	1.8
139.03902	0.6
145.04939	1.0
153.01811	10.2
163.05969	0.6
165.01834	3.8
166.02608	0.6
171.04295	0.5
177.05482	0.7
179.03374	1.4
183.02888	0.8
189.05421	1.0
195.02950	0.6
199.03882	0.6
203.03369	0.6
212.78603	0.5
217.05014	3.0
227.03400	0.5
231.02878	0.7
241.07094	0.4
245.04388	5.0
273.03949	4.2
290.04242	1.2
294.41348	0.5
301.03357	0.8
319.04459	100.0
320.04810	3.0
331.04367	2.4
343.04416	0.9
357.06241	0.6
361.05496	3.2
385.05487	2.7
415.06345	0.6
427.06241	0.5
463.08585	1.2
481.09637	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03933	1.7
55.01862	0.9
55.05247	1.0
55.05503	14.4
56.29846	0.6
56.55471	0.5
57.03424	4.4
57.07072	3.2
58.27428	0.6
61.16159	0.5
65.03934	2.3
67.05496	40.9
69.07056	16.3
70.81110	1.2
70.81477	1.3
71.04983	1.7
71.08626	0.7
79.05482	23.0
81.07047	42.3
83.04957	1.2
83.08604	8.7
85.06529	1.8
85.10169	0.7
91.04888	0.7
91.05466	17.8
93.07034	29.7
95.04958	2.6
95.08595	39.3
97.06518	1.9
97.10165	4.5
98.21380	0.6
99.08099	1.4
103.05399	0.9
105.04556	0.9
105.07016	18.7
107.08585	19.4
108.22246	0.7
109.06483	1.1
109.10147	19.7
111.08073	1.7
111.11652	1.0
113.09676	0.7
117.06999	7.3
119.08570	21.7
121.10130	16.2
123.10903	0.8
123.11707	8.9
125.09583	0.9
128.06165	0.8
129.06976	3.0
131.08556	15.4
133.10110	16.1
135.08099	1.0
135.11676	12.9
137.13211	3.9
139.11223	0.8
141.06982	0.8
143.08519	4.0
145.10103	14.1
147.11673	12.0
149.13239	7.5
151.14832	1.0
155.08563	1.7
157.10129	4.9
159.11665	9.9
161.13245	8.2
163.14766	3.4
169.10129	2.1
171.11710	4.8
173.09608	0.7
173.13229	8.5
175.14784	5.2
177.16397	2.4
181.10069	0.9
183.11717	1.7
185.13219	4.2
187.14821	5.3
189.16373	2.5
191.17917	0.7
197.13222	1.5
199.14832	2.8
201.16391	3.4
203.17969	2.5
205.19571	0.9
211.12973	0.6
211.14796	1.5
213.16417	1.3
215.17920	2.2
217.19601	1.4
225.16371	0.9
227.16283	0.7
229.19472	0.9
231.17337	0.7
231.21208	0.8
233.18959	0.7
241.19780	3.3
243.21164	1.7
245.19037	1.4
255.19490	0.8
259.20538	8.8
261.22128	10.0
261.49973	0.6
263.23743	1.5
273.22061	1.0
277.21661	1.0
279.23230	1.3
281.21063	1.0
283.23016	0.8
287.23776	1.3
295.22632	0.8
299.23706	2.1
301.25134	1.2
307.22769	0.7
309.24344	1.0
313.25159	1.3
315.23190	1.0
315.26773	1.0
317.24823	2.4
319.22302	0.7
323.26016	0.9
329.24857	0.7
333.24139	5.5
335.25778	16.6
336.26196	0.8
337.27350	8.9
341.24426	0.7
341.28180	1.2
347.25705	1.1
349.27408	0.9
355.30225	1.2
357.27866	0.6
361.27377	1.0
385.31058	0.8
433.34418	0.7
451.35400	0.7
465.36630	0.7
475.34286	0.9
477.35529	0.7
489.35986	1.8
491.36847	0.9
503.37286	2.0
521.43658	6.5
529.38129	1.0
531.40265	1.9
539.44403	3.3
543.40356	1.6
595.47253	12.2
613.48175	100.0
614.48462	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03933	2.4
55.01854	1.8
55.05253	1.5
55.05506	19.9
57.03434	7.8
57.07061	4.0
65.03927	3.3
67.05496	57.9
69.06709	1.8
69.07058	21.0
69.84477	4.5
71.04989	2.1
71.08620	1.9
74.21806	1.0
79.05480	35.7
81.07047	59.6
83.04955	2.3
83.08608	10.3
85.06534	2.6
91.04889	1.1
91.05466	28.0
93.07031	41.0
94.07363	0.9
95.04964	3.4
95.08595	50.0
97.06506	3.9
97.10162	6.0
98.21388	1.7
99.08118	2.7
105.07014	28.2
107.08583	22.9
109.10143	25.3
109.10832	0.8
111.11696	1.4
117.06986	10.0
119.08563	26.0
121.10134	21.0
123.11687	11.3
125.09616	2.4
128.06203	1.3
129.06958	5.3
130.07816	1.4
131.08540	20.5
132.60393	0.9
133.10123	23.5
135.11670	14.1
137.09532	2.2
137.13239	4.1
141.06973	1.2
141.36456	0.9
143.08539	6.4
145.10109	20.9
147.11679	16.6
149.13248	7.7
151.11220	1.5
151.14786	2.1
155.08569	2.9
157.10126	7.4
159.11674	16.9
161.13226	10.7
163.11160	1.7
163.14844	4.8
165.12794	1.4
169.10161	3.0
170.53470	0.9
171.11707	10.2
173.13264	12.7
175.11122	1.1
175.14859	5.4
177.16426	1.2
179.14317	2.5
183.11736	2.8
185.13274	4.1
187.14764	6.6
189.16376	2.6
197.13268	1.7
199.14851	3.5
201.16420	2.9
203.17940	1.6
211.14815	1.1
213.16373	3.4
215.17917	2.1
217.19437	1.4
225.16452	1.2
227.17932	2.4
231.20967	1.3
241.19527	3.2
243.21028	3.3
245.22437	1.2
259.20523	7.9
261.22113	10.2
263.23856	1.1
273.22208	1.5
277.21564	2.1
285.21939	1.2
287.23633	1.4
315.26816	1.1
317.24857	1.9
333.24268	5.6
335.25748	15.7
337.27374	7.5
347.26025	1.2
361.27124	1.4
403.55463	1.1
477.35651	1.1
485.36069	1.5
489.36130	2.4
503.37204	1.9
517.38928	1.4
521.43433	5.8
531.40082	1.2
539.44672	3.2
540.45776	1.1
543.40430	2.0
595.47186	9.7
613.48157	100.0
614.48535	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	614.3317
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
51.33812	0.3
55.05480	0.4
56.05007	0.3
57.07067	6.0
58.06585	2.1
60.04480	0.4
65.03917	0.9
68.05026	0.4
68.07721	0.3
69.07057	0.3
69.33152	2.5
70.06582	18.1
71.08624	2.4
72.08144	0.7
74.06036	0.4
81.07037	0.4
84.08122	0.4
85.10162	0.7
88.07619	19.8
91.05428	0.3
102.09164	15.2
103.05474	0.3
105.03366	0.9
107.19057	0.2
121.02856	0.5
121.07032	0.3
147.04330	0.6
149.02322	43.9
150.02699	0.7
175.03891	0.9
186.66022	0.2
193.04938	50.3
194.05264	0.7
208.91524	0.3
212.23668	0.7
219.06502	1.1
225.05466	1.0
256.26315	42.4
257.26624	0.8
269.04370	2.0
297.03879	2.4
313.07031	3.1
341.03146	0.3
341.06494	11.0
359.07587	5.5
385.09122	48.2
386.09586	0.7
484.75006	0.3
510.08267	0.3
596.32147	0.9
614.33136	100.0
615.33386	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	615.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.1
55.05519	15.4
57.07069	10.6
59.04988	11.8
59.36684	3.0
67.05500	23.5
69.03405	9.1
69.07059	11.0
71.48962	6.8
73.06537	5.1
79.05482	18.7
81.07056	25.9
83.05004	4.7
83.08626	5.9
85.06545	16.8
87.78013	4.3
89.04032	3.5
91.05475	37.7
93.07038	51.9
95.04959	14.2
95.08597	45.6
103.05453	4.9
105.07018	53.6
107.08591	45.1
109.06523	10.0
109.10158	18.9
111.08053	5.8
115.05405	4.9
117.06996	13.5
119.08572	72.0
121.06510	8.6
121.10132	34.8
123.08048	44.0
123.11723	7.0
125.09609	13.6
128.06207	5.5
129.06979	7.7
131.08542	20.5
133.06404	3.1
133.10114	47.5
135.08015	12.1
135.11661	19.5
137.09622	15.4
142.07771	7.7
143.08575	18.0
144.09328	6.3
145.10124	35.5
147.08025	17.3
147.11696	21.1
149.09596	12.5
149.13223	4.3
151.07523	45.4
151.11179	13.1
155.08562	5.3
156.09338	11.5
157.10106	23.7
157.18745	3.8
158.10898	4.7
159.10579	3.4
159.11678	18.2
161.09604	10.9
161.13260	8.8
163.11179	13.8
165.09100	36.0
167.08546	4.5
169.10092	12.3
170.10843	5.4
171.11687	15.9
173.13271	18.4
175.11206	7.5
175.14824	21.1
177.09129	5.6
180.09406	3.1
181.10089	4.0
181.12209	8.4
182.10928	5.0
183.11674	11.0
185.13260	10.9
187.11182	4.5
187.14810	6.1
189.12779	20.8
191.14319	5.2
193.10094	5.5
193.12244	3.5
195.11655	10.0
197.13217	13.4
199.11034	3.2
199.14796	5.9
201.12744	4.2
201.16341	3.4
203.14320	16.1
207.11833	6.5
207.13788	13.7
209.13225	9.5
209.15392	4.6
211.13269	10.3
211.15012	5.9
221.13417	4.4
221.15340	96.5
221.17538	5.1
223.14874	7.8
223.16930	12.6
225.16458	3.9
227.14474	4.6
235.14838	5.8
237.16431	5.5
249.16370	3.4
251.16336	7.0
276.33124	3.8
283.20526	5.1
286.19260	3.6
297.22037	3.5
299.20013	8.0
309.93134	3.6
369.17792	3.1
375.26727	4.7
425.30341	3.3
491.35052	8.8
565.40009	6.4
583.41376	18.8
597.42419	15.2
615.44104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.2
57.03419	5.8
57.07059	6.1
65.03925	3.2
67.05499	56.5
69.07063	25.6
69.98301	1.8
71.04377	4.8
71.08614	4.0
72.38079	1.8
73.90691	1.9
79.05490	27.4
81.07050	54.7
83.08604	15.8
85.06495	1.8
91.05482	19.0
93.07037	37.1
95.08604	44.2
97.06540	2.8
97.10143	5.2
105.04507	2.5
105.07032	22.5
107.08572	23.3
109.10147	22.6
111.08067	2.9
111.11761	2.2
113.09634	2.2
117.07017	8.2
119.08584	24.4
121.10154	17.8
123.11694	7.1
129.06993	2.7
131.08562	11.5
133.10127	16.6
135.11694	12.2
137.13228	4.0
143.08586	3.4
145.10121	12.9
147.11673	11.1
149.13353	5.1
157.10135	3.0
159.11707	8.0
161.13272	9.7
163.14821	2.6
171.11671	4.1
173.13269	6.6
173.82303	2.5
175.14795	4.0
185.13261	2.7
187.14862	4.4
189.16342	2.3
199.14777	2.7
201.16405	2.1
203.18044	2.4
243.20908	2.1
244.32048	2.0
259.20596	5.6
261.22134	8.1
263.23822	2.6
287.23785	2.0
301.24860	2.4
326.81503	2.4
335.25815	10.3
337.27399	13.0
523.45374	6.1
541.46411	3.2
572.40149	2.2
582.14581	2.6
597.48486	12.3
615.49652	100.0
616.50055	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	615.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05263	1.2
55.05506	17.4
57.03436	4.8
57.07071	5.3
65.03927	1.7
67.05498	46.7
69.07059	19.4
69.29831	5.3
71.04977	1.1
71.08618	2.0
73.06506	0.7
79.05486	25.8
81.07049	49.0
83.04964	1.1
83.08613	12.0
85.06527	2.0
85.10155	1.0
85.79716	0.7
91.05466	14.9
91.70304	0.7
93.07032	31.7
95.04952	3.0
95.08593	38.7
97.06518	2.6
97.10165	7.5
99.08071	1.6
105.07019	18.3
107.08585	18.7
109.06541	1.5
109.10144	16.7
111.08090	1.8
111.11715	1.8
117.06997	4.9
119.08562	17.9
121.10125	18.8
123.08018	1.0
123.11683	7.7
129.06999	2.4
131.08560	12.1
133.10118	13.9
135.11690	11.2
135.65343	0.8
137.13248	3.3
139.11169	0.8
141.06946	0.9
143.08574	3.1
145.10106	11.0
147.11671	10.9
149.13242	6.3
151.14795	2.0
157.10152	2.9
159.11644	8.8
161.13225	7.8
163.11191	0.8
163.14775	4.5
165.16312	1.2
169.10167	1.0
171.11705	3.0
173.13268	5.4
175.11266	0.6
175.14835	4.0
177.16379	2.5
183.11655	0.9
185.13243	3.4
187.14767	3.6
189.16380	2.9
191.17876	1.6
197.13353	1.2
199.14825	1.7
201.16371	2.2
203.17967	1.0
215.18005	1.6
216.06335	0.8
217.19664	0.9
229.19615	0.7
231.21170	1.7
233.19112	1.2
241.19629	1.8
243.21124	2.5
245.22662	2.8
247.24142	1.0
255.19229	1.0
259.20468	4.6
261.22101	8.8
263.23666	1.7
273.22003	0.9
287.23837	0.8
289.25470	0.8
299.23697	0.9
301.25226	1.4
310.74738	0.8
315.26849	1.5
317.24750	2.0
317.28204	1.1
319.26578	0.8
329.28409	1.3
333.24142	2.4
335.25708	9.2
337.27325	11.8
339.28937	3.5
343.30038	0.8
357.31689	1.0
461.36603	0.9
475.33920	0.9
489.35602	0.9
505.38547	1.1
517.39319	1.3
523.45148	4.1
531.40143	1.3
541.46222	2.9
545.41858	1.3
597.48755	15.2
615.49738	100.0
616.50220	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	616.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67307	0.4
53.41953	0.4
55.05506	5.3
56.05019	2.3
57.05808	0.6
69.07056	5.7
71.54702	0.4
71.55070	0.5
72.08146	100.0
74.06075	3.1
84.04480	1.1
85.02885	0.5
86.09694	88.8
87.10059	0.5
97.02906	0.4
98.06029	1.3
116.07135	0.4
116.87003	0.3
118.47336	0.3
119.04965	0.4
126.05501	8.7
127.03874	0.4
130.04984	1.6
130.71013	0.4
137.05974	0.5
147.04352	0.6
148.05032	0.5
148.06033	2.9
181.09647	0.9
185.16467	2.9
197.12764	1.8
199.18057	3.3
213.15834	1.2
225.12315	29.0
227.17500	4.9
230.92320	0.4
243.13383	22.7
250.96329	0.4
261.11771	0.5
261.14432	7.2
299.24347	0.4
304.69107	0.4
326.24188	0.5
328.22260	10.6
338.20703	0.4
356.21765	36.8
357.22369	0.5
374.22592	1.1
411.58124	0.4
454.10504	0.5
469.30112	2.5
544.23224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.05505	42.3
57.07061	6.0
61.32131	5.0
67.05498	41.7
68.35794	4.2
69.03421	14.8
69.07057	18.0
69.55799	10.9
69.56213	33.1
71.04989	8.5
74.96575	4.9
79.05484	39.3
81.07053	59.2
83.04971	19.2
83.08608	66.5
85.06524	11.2
85.79669	4.7
86.09706	8.1
91.05478	61.3
93.07030	64.5
95.04967	33.6
95.08585	35.1
97.06529	19.8
99.04454	5.5
104.10732	65.8
105.07022	100.0
106.02624	4.7
107.08591	64.4
109.06509	15.5
109.10138	30.2
111.08082	9.7
113.09669	7.4
115.05454	7.6
117.07008	24.1
118.75670	4.7
119.08575	81.1
121.06538	11.1
121.10136	52.0
123.08054	23.4
125.09618	20.2
128.06215	16.7
129.07011	20.3
131.08536	48.5
132.09334	8.0
133.06476	7.9
133.10124	60.2
135.08044	12.7
135.11684	10.4
137.09581	7.0
139.11209	12.2
141.06953	7.0
142.07767	30.3
143.08557	48.0
144.09303	15.1
145.10112	75.6
147.08020	13.3
147.11668	25.6
149.09637	13.9
153.07004	5.4
155.08565	20.9
155.10681	16.2
156.09363	19.7
157.10114	68.4
158.10818	7.9
159.08061	23.5
159.11676	35.5
160.08803	13.8
161.09607	13.1
163.11171	7.0
163.79514	5.4
165.06987	5.1
165.09206	7.3
167.08565	11.5
167.10623	24.1
169.10135	31.0
170.10825	15.2
171.11601	36.4
173.09605	10.6
173.13260	19.8
175.11124	14.2
179.08536	10.8
181.10114	21.2
181.12201	24.7
182.10916	19.1
183.11720	30.0
184.12389	6.6
185.13237	23.3
187.11180	8.0
187.14827	5.5
189.12698	7.2
191.14438	5.8
192.09297	7.6
193.10112	15.8
194.10785	8.6
195.11720	30.4
196.12422	18.2
197.13243	41.5
198.96764	10.9
199.14857	10.7
203.14191	5.6
207.11623	15.4
207.13586	6.6
208.12630	5.5
209.13365	24.7
209.15092	6.6
210.14063	5.5
211.14767	24.2
213.12723	11.7
215.14211	15.5
216.97929	7.1
221.13217	12.5
221.15378	26.5
223.14821	20.4
225.14842	16.8
227.14366	9.1
233.13316	13.5
233.15311	45.7
234.16045	5.8
235.14807	10.5
237.16379	17.4
249.16382	9.1
251.18077	10.0
255.17349	30.6
259.14975	6.9
261.16364	7.3
265.19519	7.4
267.17361	6.5
270.19839	5.7
273.18634	6.8
281.33328	5.6
283.01962	20.6
283.20523	7.1
287.19904	6.3
294.19870	5.5
295.20248	6.8
337.20377	8.2
347.23746	7.3
349.25235	7.1
365.24609	9.0
367.26294	10.3
383.25610	13.3
411.03290	5.9
558.28864	7.3
618.41833	22.5
619.28375	7.7
619.38055	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	619.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.0
55.05502	61.8
57.07052	16.0
67.05499	42.2
69.03408	15.4
69.07042	18.4
71.04962	6.9
71.54076	6.7
79.05486	40.0
81.07037	84.7
81.74323	6.3
83.04969	11.5
83.08607	100.0
84.08955	6.8
85.06519	18.5
87.04441	17.3
91.05481	49.2
93.07028	81.6
95.04942	23.5
95.08601	49.2
97.06515	42.3
99.04439	7.2
105.07016	99.4
107.04936	10.8
107.08582	91.1
109.06484	17.7
109.10133	58.3
111.08080	14.2
113.05988	7.4
113.09612	19.4
115.05390	8.8
117.07005	22.0
119.08563	95.1
121.06466	9.7
121.10120	61.4
123.08051	31.7
123.11668	13.2
125.09600	23.2
129.07050	12.3
130.07738	10.0
131.08549	41.3
133.10127	84.2
135.07993	8.5
135.11655	26.9
137.09607	8.2
139.11108	13.2
141.06949	7.4
142.07794	30.8
143.08554	39.2
144.09286	17.0
145.10100	65.8
147.08009	15.7
147.11653	45.7
149.09641	13.8
150.64238	6.4
151.07521	8.8
155.08481	17.6
155.10637	20.1
156.09354	10.3
157.10114	64.5
158.10840	8.5
159.11661	43.4
161.09564	6.7
161.13260	11.6
163.11130	12.0
165.09097	19.9
167.08554	7.7
169.10089	25.2
170.10959	6.9
171.10216	13.0
171.11641	36.5
173.13254	28.5
175.11110	10.8
175.14778	20.4
179.08478	9.3
179.14301	8.3
181.10068	9.7
181.12180	41.4
183.11664	27.3
185.13216	20.7
189.12714	6.8
191.14330	6.6
193.10110	11.4
195.11671	24.1
196.12215	7.6
197.13185	20.3
199.14790	26.9
203.14212	10.0
207.11707	9.6
207.13721	11.9
207.22224	6.5
209.13203	18.0
209.15192	9.6
211.13066	7.6
221.13327	10.1
221.15340	71.2
222.15727	10.2
223.14877	14.9
225.14645	33.9
233.13159	12.4
233.15363	20.8
235.14793	13.1
235.16867	8.0
237.16400	6.8
247.16899	7.3
260.35089	5.9
277.19461	7.6
283.20468	13.4
287.19949	18.2
301.21655	8.4
311.19925	7.3
352.23749	9.6
353.24243	9.5
367.26208	12.7
484.16849	7.1
491.34921	7.2
539.36658	17.8
583.41901	14.5
601.42523	10.4
619.43646	46.6
624.77850	6.2
646.91083	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	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.80268	0.5
69.81676	2.4
73.67702	0.4
76.94132	0.5
81.97434	0.4
83.49551	0.4
126.90960	0.5
146.76019	0.5
173.46242	0.5
207.09081	0.6
209.10551	0.6
213.96873	0.5
235.12195	0.4
323.14093	0.6
373.14359	0.6
374.15277	1.0
375.15952	1.7
386.16226	0.7
387.15973	1.6
388.16907	2.5
389.17639	5.3
390.18500	2.3
391.19189	0.8
399.15881	0.7
400.17624	0.6
401.18027	2.6
402.13889	0.8
402.18665	2.8
403.19324	8.5
404.19916	4.7
405.20712	3.7
415.14801	0.9
415.19293	1.5
416.15460	2.3
417.15897	5.7
417.20880	5.3
418.17319	1.4
418.21567	2.2
419.22302	12.8
420.22989	0.9
427.19153	0.6
429.16650	1.1
430.16992	2.3
430.22549	0.8
431.18033	10.9
431.23456	1.0
432.18823	4.5
433.19803	2.4
441.16788	0.7
443.18289	1.0
445.20135	10.8
446.20874	8.9
447.21790	17.4
448.22556	0.8
457.20392	0.7
458.20984	0.9
459.17639	2.4
459.21985	2.7
460.18149	1.1
460.23523	1.0
461.19250	1.2
473.19009	1.6
473.23679	2.0
474.20328	19.1
475.21198	25.8
476.21509	1.4
487.21274	6.3
488.22177	3.3
489.22955	1.0
490.23349	0.8
491.19971	0.8
501.22818	4.2
502.23465	1.0
505.25690	2.2
518.22943	1.1
529.22137	1.4
533.25409	20.6
546.22821	1.5
561.24878	100.0
562.25177	4.2
589.24133	2.5
593.27588	4.2
621.26965	86.3
622.27350	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
83.35995	0.9
105.73135	0.9
186.96851	0.9
239.57509	1.0
256.14227	1.1
283.79355	1.0
291.66348	1.1
306.12695	1.2
387.16080	2.2
388.16800	1.1
389.17630	3.1
390.18527	1.4
396.53159	1.1
401.18015	1.8
402.18823	1.2
403.19263	4.0
404.19977	3.5
405.20905	1.1
416.20477	1.3
417.16202	1.5
417.20883	3.9
419.22433	6.4
420.22913	2.1
431.17789	5.0
432.19095	2.1
445.20419	3.8
446.21136	6.4
447.21750	9.9
459.18216	4.2
460.18509	1.5
461.19717	3.6
473.19360	1.4
474.20358	12.3
475.21222	19.2
487.21768	5.8
488.22253	1.5
501.22803	3.9
505.26025	2.1
518.22723	1.2
529.22156	1.2
533.25696	10.4
534.25592	1.4
546.22168	1.1
561.24878	43.4
562.25623	1.7
589.24084	1.5
621.26996	100.0
622.27258	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	621.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68984	2.4
69.95480	10.3
95.26849	2.5
98.20820	3.4
116.14721	2.5
195.47954	2.6
196.18811	2.3
340.14169	3.1
373.14417	3.6
375.16144	3.2
376.16879	2.6
387.15585	5.0
387.53363	2.7
388.16672	7.2
389.17728	12.7
390.18411	5.4
391.19150	6.8
401.17847	5.5
402.18729	6.4
403.19348	27.2
404.19913	14.4
405.20743	18.7
415.19754	5.9
416.16190	10.7
417.15988	24.5
417.20990	13.8
418.17236	4.9
418.21869	6.8
419.17654	3.1
419.22336	42.6
430.17645	4.0
431.17899	37.1
432.19104	16.0
433.19797	14.3
445.15488	2.7
445.20084	33.7
446.21024	47.4
447.21747	62.5
457.25732	2.9
458.20496	3.5
459.22629	20.0
460.17776	4.8
460.23187	4.2
461.19739	9.4
473.18475	5.2
473.23874	5.4
474.20303	42.3
475.21259	52.2
487.21594	22.3
488.21771	5.7
491.20813	8.5
501.22632	10.9
504.21298	4.3
505.25803	8.2
518.22723	4.0
519.19952	5.2
533.25439	97.3
561.24921	100.0
562.24817	3.6
593.27112	11.1
621.26947	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2699
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.85147	0.2
62.10349	0.2
67.05484	0.4
69.88920	1.5
74.01524	0.2
76.96389	0.2
79.05479	0.4
81.06557	0.2
81.07030	0.6
98.20823	0.3
123.41301	0.3
142.66678	0.3
144.08089	0.3
144.96739	0.3
159.84805	0.3
195.09341	0.3
220.10042	0.3
237.10133	0.3
330.28455	0.3
338.65460	0.3
373.14655	0.7
374.15244	0.5
375.16211	0.7
376.17191	0.4
386.16376	0.3
387.16327	0.6
388.16931	0.9
389.17520	2.7
390.18509	1.1
391.18958	0.5
401.17621	1.2
402.13882	0.4
402.18945	1.5
403.15063	0.4
403.19336	4.9
404.20331	1.8
405.20782	2.4
415.19345	0.9
416.15530	1.3
416.20914	0.4
417.17007	3.8
417.21060	2.3
418.17313	0.8
418.21652	1.2
419.22321	6.6
420.23013	0.9
427.19638	0.4
429.21338	0.6
430.17609	0.8
431.18140	7.4
432.19208	3.2
433.20157	2.5
443.18600	0.6
444.19672	0.4
445.19995	5.7
446.20911	7.1
447.21777	9.6
447.27722	0.5
448.22696	0.5
459.22855	2.7
460.18149	0.6
460.23468	0.5
461.19339	1.7
463.21185	0.4
473.19281	1.1
473.23761	1.1
474.20331	5.7
475.21207	7.3
476.21426	0.4
477.22653	0.4
478.23679	0.5
487.21381	3.4
488.22009	0.6
491.19873	1.6
501.22864	2.2
505.26846	1.6
505.77414	0.3
518.23303	0.6
519.20703	1.0
529.22119	0.6
533.25427	15.0
546.22839	0.5
561.24884	22.7
562.25287	0.8
565.27893	0.5
589.24353	1.2
593.27472	4.2
621.26959	100.0
622.27032	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	621.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.0
55.01877	9.6
55.05505	23.3
57.03430	11.8
65.03923	4.3
67.05164	2.9
67.05496	41.4
69.03418	18.1
69.07060	12.3
70.07397	7.2
71.01352	2.9
71.04974	7.9
73.02912	2.0
74.98805	1.8
79.05067	2.0
79.05489	38.4
81.03407	100.0
81.07052	38.9
83.04976	15.2
83.08610	19.8
85.02902	19.0
85.06497	2.4
91.04955	3.1
91.05470	38.3
92.99483	2.1
93.07034	32.3
95.04958	54.4
95.08575	17.7
97.02872	17.0
97.06489	5.2
97.10157	9.1
99.04441	5.1
101.06048	1.9
103.05424	4.5
105.03393	2.1
105.06365	3.0
105.07014	34.9
107.04932	18.5
107.08585	15.9
108.00509	1.8
109.02859	15.6
109.06477	11.2
109.10133	10.7
111.04414	12.5
111.08028	8.1
115.05431	3.8
117.06993	13.2
119.04944	5.0
119.08556	21.2
121.02805	2.0
121.06496	12.6
121.10130	12.6
123.04404	8.5
123.08041	5.3
123.11691	2.8
125.09632	9.4
127.03954	9.8
127.04774	1.8
128.06192	4.0
129.05478	2.3
129.06990	21.0
131.04916	9.2
131.08527	18.5
133.06458	8.9
133.10123	13.3
135.04379	4.6
135.08035	6.8
135.11656	8.0
137.05956	3.2
137.09599	2.3
141.06961	4.1
142.07710	2.4
143.08540	7.2
145.06483	11.1
145.10115	9.0
147.04379	8.3
147.08029	6.1
147.11693	13.8
149.05951	5.8
149.09593	8.1
153.09059	3.0
155.08534	5.1
157.06465	6.3
157.10121	12.0
159.07985	4.9
159.11765	1.9
160.05290	2.2
161.05965	6.7
161.09560	3.5
163.11163	12.3
165.12732	4.5
167.08496	3.4
169.06464	3.6
169.10066	3.2
171.08005	5.2
171.11662	3.2
173.04420	7.1
173.05963	5.0
173.09570	5.1
175.07579	2.8
175.11150	7.8
181.12245	3.1
185.09555	2.9
185.13228	3.0
187.07501	4.3
189.05424	3.9
189.09033	2.0
189.11154	5.3
189.12689	2.4
191.10568	2.3
193.12210	31.6
195.11711	3.9
197.09694	3.6
199.11217	2.7
205.12225	5.0
211.13237	29.3
223.13171	3.3
225.12563	2.4
227.12675	6.1
231.13843	2.8
235.13301	6.5
249.14787	4.2
255.13837	4.0
259.13287	5.7
267.15961	13.2
271.13486	2.5
273.14862	19.7
283.12988	3.4
285.16971	5.5
289.14285	4.4
291.15787	3.3
301.14319	28.0
309.16974	5.0
319.15308	10.7
337.16614	3.6
357.16910	2.2
367.22586	3.8
375.17877	7.4
385.23950	9.9
393.18988	5.7
401.83832	2.0
403.24905	5.9
411.19922	2.7
433.25485	2.6
457.25101	3.5
459.27261	19.7
475.25031	3.5
477.28171	5.7
493.25797	5.2
501.28445	5.1
511.26700	3.1
543.29370	3.3
557.31195	2.8
567.29480	5.3
573.30273	2.7
585.30341	18.2
603.31714	19.3
621.22845	2.5
621.32629	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01869	7.6
55.05504	20.6
57.03428	9.2
58.19856	1.3
59.94015	1.3
62.41558	1.2
65.03925	2.0
67.05496	31.3
68.72257	1.4
69.03411	14.9
69.07059	6.6
69.84970	2.5
69.85377	6.2
71.04990	6.1
79.05486	33.9
81.03410	100.0
81.07047	33.0
83.04967	15.4
83.08603	15.0
85.02897	20.1
85.06542	2.5
89.81799	1.2
91.05473	42.0
93.07040	19.4
95.04960	34.4
95.05539	2.5
95.08595	10.8
97.02877	13.8
97.06525	5.6
97.10155	7.0
97.98370	1.2
98.21423	1.5
99.04459	3.9
99.08077	2.5
103.05455	2.3
105.07018	24.8
107.04951	12.7
107.08582	11.1
109.02872	22.4
109.06487	6.5
109.10157	4.7
111.04440	11.8
111.08056	8.1
113.06002	2.8
115.05447	3.1
117.07008	7.2
119.04916	3.8
119.07738	2.4
119.08564	21.0
121.06484	6.8
121.10140	7.4
123.04424	4.6
123.08070	3.3
123.11751	1.8
125.02362	3.3
125.09617	5.9
127.03931	7.5
128.06198	1.8
129.06984	12.9
131.04918	4.6
131.08566	13.1
133.06480	5.8
133.10101	8.5
135.08052	2.8
135.11685	3.9
137.05904	1.9
137.09622	2.7
141.07040	2.6
142.07794	2.9
143.08533	2.7
145.06490	4.2
145.10126	5.8
147.04436	3.5
147.08073	4.1
147.11665	15.0
149.05959	2.3
149.09619	7.0
151.11266	1.6
153.09111	1.8
153.12701	2.2
155.08556	2.1
156.78151	1.4
157.10143	11.3
159.08023	2.9
159.11696	2.2
161.05997	2.8
161.09586	1.4
163.11176	7.9
165.12755	5.5
167.08522	2.2
169.10170	2.4
171.08118	2.7
171.11652	2.8
173.04512	3.1
173.05952	2.1
173.09706	1.7
175.11238	8.5
181.12251	2.4
183.08083	1.4
185.09644	1.6
185.13306	1.8
187.07622	1.6
189.05580	2.1
189.11163	2.4
191.10693	3.6
193.12231	39.4
199.11217	1.6
205.12233	1.7
211.13269	42.6
211.15187	3.1
213.12776	1.7
217.12231	1.7
220.12521	1.5
223.11192	1.7
223.13191	2.2
227.12756	4.2
231.13821	1.4
233.11734	1.6
235.13313	4.6
235.36040	1.4
249.15010	1.9
257.15649	1.9
259.13425	3.0
267.15839	11.5
273.14874	8.9
277.14481	2.0
283.13153	1.4
285.16962	9.2
289.14233	1.8
291.15936	2.8
298.71964	1.4
301.14304	9.5
303.16049	2.0
313.16644	2.0
319.15350	8.0
337.16528	5.5
355.17517	4.3
367.22723	1.6
375.18051	2.9
385.23935	3.6
393.19086	4.1
393.88904	1.3
397.17139	1.2
411.20129	2.0
421.25812	1.8
444.66077	1.6
459.27170	7.4
477.28690	7.0
493.26147	1.7
495.29474	6.0
511.26837	2.1
557.30396	1.8
567.29224	1.5
573.30951	3.2
585.30420	10.3
603.31537	13.4
621.32666	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01870	6.2
55.05502	20.1
57.03427	8.7
59.04979	1.1
65.03933	3.1
67.05495	32.2
69.03413	15.0
69.07051	5.9
71.01372	1.2
71.04981	7.0
71.57796	1.4
73.02917	1.0
79.05481	32.8
79.05946	1.6
81.03408	100.0
81.07047	33.0
83.04971	16.9
83.08609	18.0
85.02895	19.3
85.06551	2.0
91.05473	40.0
93.07036	24.4
93.07608	1.5
95.04958	33.9
95.08593	12.9
97.02884	16.0
97.03477	1.0
97.06488	4.5
97.10164	7.4
99.04466	5.2
99.08067	1.1
103.05473	2.4
105.04487	1.3
105.07018	27.6
107.04932	13.4
107.08576	11.8
109.02864	20.6
109.06492	6.8
109.10138	5.2
111.04440	11.2
111.08063	8.2
113.06050	1.4
114.31937	0.9
115.05441	2.5
116.06223	1.5
117.06993	7.9
119.04940	2.5
119.08563	21.4
121.06498	5.9
121.10123	9.9
123.04429	5.2
123.08039	4.4
123.11721	2.9
125.02375	3.0
125.05987	1.7
125.09603	5.0
127.03913	9.0
128.06242	2.3
129.05489	1.1
129.06998	13.9
129.07886	1.4
130.07787	0.8
131.04938	3.7
131.08546	15.5
133.06458	6.2
133.10135	10.5
135.04428	1.6
135.07178	0.9
135.08072	3.9
135.11717	3.4
137.05986	2.8
137.09633	1.4
141.06989	2.6
142.07816	3.2
143.08553	4.6
145.06442	5.8
145.10110	7.9
147.04448	3.2
147.08047	5.7
147.11676	17.2
149.06007	3.1
149.09631	7.8
151.07547	1.1
151.11230	2.5
153.12793	2.6
155.08539	2.4
157.06514	3.3
157.10118	13.9
159.07945	1.8
159.11652	1.3
161.05989	3.6
161.09673	1.8
161.13269	1.0
163.07567	1.0
163.11143	7.0
165.05502	0.9
165.09232	1.1
165.12749	5.5
167.08580	1.5
169.10132	1.7
170.07249	0.9
171.04262	0.9
171.08017	1.5
171.11722	2.5
173.04507	4.6
173.06035	2.7
173.09662	2.6
175.07579	1.5
175.11154	10.2
177.05463	0.9
177.09258	1.1
177.12770	1.7
181.10262	1.5
181.12274	2.7
183.08058	0.9
183.11638	1.4
185.09689	1.4
185.13364	1.2
187.07671	1.0
187.11168	1.4
187.14778	1.1
189.05469	1.6
189.11229	2.4
189.12807	1.8
191.10669	2.8
193.12219	35.7
195.08142	1.6
195.11742	2.1
195.13795	1.0
199.11275	1.3
203.14250	1.3
205.12231	2.0
209.11673	1.3
211.13271	39.4
213.08986	1.2
215.14424	1.2
217.12332	2.0
223.13264	1.3
227.12619	4.1
229.12314	1.3
229.14360	1.7
231.13869	1.4
233.15401	1.6
235.13303	2.8
237.12724	0.9
241.12210	1.5
243.13850	1.5
245.15356	1.1
247.13338	1.3
249.14870	3.4
255.13846	2.4
259.13364	1.7
261.14948	1.1
265.14404	2.0
267.15881	11.5
267.18494	1.0
273.14816	8.0
277.14487	1.5
283.13098	2.1
285.17023	7.6
289.14465	1.8
291.16086	1.8
301.14243	9.0
319.15335	7.7
333.83264	0.9
337.16489	5.0
339.23062	1.1
351.17828	1.0
355.17572	3.2
357.23969	0.9
367.22675	2.0
375.18109	3.6
385.23676	3.5
393.19199	4.3
403.24796	2.4
411.20126	2.7
441.26184	1.2
459.27139	7.7
475.25418	1.3
477.28235	6.5
495.29749	4.2
501.28641	1.6
511.27200	1.0
547.28497	1.2
567.29462	2.0
573.30463	2.4
585.30371	9.1
603.31812	10.2
621.32660	65.2
622.33002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72298	1.4
51.02330	1.7
53.03933	5.1
53.58274	1.4
55.01870	7.5
55.05505	31.8
57.03423	4.3
57.07058	2.0
59.04990	1.3
59.19797	1.5
65.03920	2.7
67.05496	46.9
69.03419	2.9
69.07058	17.9
71.04977	2.8
71.57536	1.4
73.36182	1.3
79.05485	43.9
81.03408	50.8
81.07050	43.1
83.04963	6.4
83.08617	13.6
85.06516	3.4
91.05468	36.9
93.07035	35.8
95.04956	13.4
95.08595	30.9
96.76217	1.6
97.06508	4.8
97.10164	16.2
103.05472	2.9
105.07020	30.5
107.04943	7.9
107.08575	21.2
109.02831	2.2
109.06522	4.0
109.10147	13.5
111.08069	2.6
115.05443	8.0
117.07018	22.1
119.04889	1.6
119.08556	23.3
121.06503	5.5
121.10125	8.9
123.08087	4.1
123.11735	2.9
125.09613	11.6
128.06224	6.6
129.06982	15.3
130.07799	1.6
131.04898	3.4
131.08551	21.0
133.06500	5.7
133.10112	12.7
135.08058	4.8
135.11678	6.1
137.05991	1.9
141.06953	7.8
142.07797	3.5
142.28094	1.4
143.08533	16.0
145.05492	1.3
145.06442	8.7
145.10132	14.6
147.04422	4.2
147.08035	3.2
147.11688	9.2
149.09613	2.6
153.07068	3.2
155.08528	10.1
157.06506	1.9
157.10081	9.6
159.04465	2.6
159.08096	4.1
159.11671	10.0
160.05168	8.7
161.05963	13.3
161.09630	5.7
161.13246	3.9
163.11166	3.8
165.07014	4.2
167.08562	4.8
168.09251	2.1
169.06418	1.5
169.10106	13.4
171.11642	11.6
173.05975	8.8
173.09573	3.5
173.13274	5.6
175.11237	2.2
179.08569	4.1
181.10144	6.7
183.11620	11.4
185.09575	3.1
185.13263	6.6
187.07573	4.1
187.11226	2.2
187.14803	1.9
189.11212	6.1
193.10156	3.8
193.12021	1.5
194.10924	1.6
195.11699	5.9
197.09491	2.1
197.13234	7.8
199.14830	4.5
201.16472	2.0
203.10710	1.5
205.10219	1.9
207.11647	3.3
209.13266	4.3
211.14798	5.1
213.16409	3.1
215.24420	1.6
219.11757	1.7
221.13304	2.3
223.14983	3.1
225.12846	1.7
225.16393	3.7
227.12772	8.5
235.14812	1.8
239.14197	2.4
239.17947	3.4
241.19493	2.0
243.13850	2.2
253.16061	1.6
257.18845	1.9
259.20663	5.4
271.13303	9.3
271.16766	7.0
273.14853	4.4
273.18619	2.5
275.20139	4.6
289.14438	3.6
289.17838	2.0
291.19473	9.3
299.20319	1.7
311.23752	2.5
313.21634	2.1
315.23288	2.3
333.24643	2.0
335.25888	6.4
339.23343	1.8
345.16956	3.6
347.18393	2.2
363.26764	2.7
377.17554	4.2
378.18549	2.3
379.25491	1.7
379.30054	5.7
387.16150	2.4
391.19189	4.5
392.19977	2.7
393.20874	3.3
399.15994	2.6
401.17645	5.0
405.16772	3.1
405.21350	2.3
407.22595	5.3
413.17944	3.1
415.19009	5.2
421.20276	3.7
427.19409	2.0
429.21326	2.1
430.21841	2.7
433.16367	2.6
435.21991	2.7
443.22818	2.9
444.19775	2.6
446.20700	2.4
447.17728	3.6
448.18967	3.5
449.19388	2.9
457.20395	2.8
459.18091	2.3
461.19812	3.2
462.20270	3.0
463.21207	2.6
471.22263	9.8
473.19254	2.3
474.20453	2.4
477.19104	3.2
485.19595	2.5
486.20557	4.9
489.22681	7.2
490.20160	5.1
491.20816	4.5
499.21310	14.0
501.22684	5.5
503.20700	5.2
507.24115	2.9
508.24670	2.1
513.19318	2.0
513.37299	3.4
514.20251	1.6
517.22247	10.7
525.35748	4.3
527.21002	2.8
529.22522	8.8
531.38281	5.3
535.23413	4.9
545.21790	44.4
545.29834	2.9
546.22888	2.4
548.20892	1.7
549.39178	3.2
555.19757	2.0
563.22302	7.0
564.23407	1.8
573.21362	12.5
605.23865	100.0
605.41473	17.1
606.24237	3.4
623.25031	95.2
623.42908	69.3
624.25085	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	623.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90610	2.8
57.41969	3.3
62.32093	2.8
71.53870	5.1
71.78018	3.2
72.27797	3.1
101.57941	2.7
111.90013	3.0
124.13853	3.0
129.11159	3.2
152.12100	2.9
198.28874	3.2
227.58575	3.2
298.95496	3.2
320.69818	3.3
392.20486	3.3
407.22351	3.6
419.18405	3.7
421.23798	7.2
435.21869	9.0
447.17780	4.2
449.23608	5.5
461.19662	5.6
463.21304	11.6
477.22855	12.8
549.25006	5.1
563.26062	6.6
564.27130	13.2
623.28510	100.0
624.29254	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08093	0.7
73.97362	0.6
75.20821	0.6
83.78234	0.7
85.20879	0.6
89.05987	0.7
90.26936	0.5
144.92735	0.7
167.87889	0.7
375.16354	0.7
377.17700	0.7
378.18234	0.7
389.17609	1.2
390.18512	2.1
391.19064	4.3
392.19879	2.6
393.20679	1.2
399.16229	1.2
400.16776	1.9
401.17612	1.9
402.19055	1.0
403.19647	1.0
404.20596	1.2
405.20850	4.9
406.21609	4.2
407.22220	13.7
413.17587	2.1
414.18317	2.6
415.19263	5.1
416.19910	1.2
417.21014	1.0
419.17859	1.2
419.22787	1.3
420.22943	2.4
421.23807	12.1
422.24597	4.5
427.19180	2.3
428.19861	2.4
429.20825	10.3
430.21600	3.2
431.17874	1.1
431.22867	1.4
432.19391	0.9
433.19769	0.9
433.24527	1.2
434.24915	0.8
441.20963	1.2
442.21457	2.0
443.22437	8.8
444.23196	5.3
445.19772	1.5
446.20715	0.9
447.17352	1.0
449.23141	0.7
455.18671	1.7
456.19333	1.1
457.24792	4.9
458.24918	8.6
459.21765	8.8
460.22522	2.7
461.18671	4.6
462.20355	2.0
463.21387	1.5
470.21249	1.8
471.22418	1.4
472.22586	7.5
473.23947	3.4
474.20300	1.3
475.20828	6.9
476.21683	6.4
477.22739	2.8
483.18152	1.0
484.19098	0.9
485.23444	15.6
486.20502	2.1
486.23981	4.0
487.20798	1.6
488.22141	2.5
489.22784	3.8
490.23676	0.8
499.21237	5.9
500.22052	2.3
503.24564	7.6
508.28357	1.2
513.23035	4.5
514.23511	1.9
517.26227	8.1
521.25317	0.9
529.25781	1.4
531.24048	0.9
535.26855	4.8
545.25421	89.8
546.25891	4.8
549.25677	0.8
558.23065	0.7
562.25189	1.1
563.26300	1.1
564.27319	1.5
573.24927	19.6
574.25610	1.1
591.26239	0.9
605.27521	100.0
606.27881	6.8
623.28558	85.4
624.29254	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04551	0.7
51.68118	0.7
53.03928	1.1
55.05499	2.2
67.05496	5.2
69.07056	1.2
70.59374	1.7
74.54940	0.7
79.05488	3.2
81.03416	0.8
81.07033	4.0
83.04974	2.5
91.05470	3.7
93.07043	3.7
95.04966	1.3
95.08600	2.2
97.10120	1.0
103.05405	0.7
105.07034	2.1
106.65321	0.6
107.04967	1.0
107.08586	2.4
109.06477	0.8
109.10159	1.8
117.07000	1.4
119.08581	3.1
121.10139	1.7
131.08574	1.2
133.10120	1.5
135.08046	1.6
145.10049	1.4
156.99573	0.7
157.10202	1.0
159.08009	1.6
159.11723	0.7
165.12573	0.7
169.10101	1.5
171.11713	1.2
173.09663	1.4
183.11671	0.9
193.12218	1.4
209.13393	0.9
246.83092	0.7
264.06723	0.7
271.17050	1.6
289.17981	4.2
348.25031	0.7
368.01941	0.7
377.17746	0.9
391.19266	1.6
404.20322	0.9
405.20746	1.9
406.21600	1.1
417.21082	1.1
418.18121	0.8
419.17841	1.1
419.22437	2.1
420.19040	1.2
421.24008	2.1
429.16434	1.2
430.18234	1.1
432.19550	1.0
433.20142	2.8
434.21045	1.1
435.21808	1.3
443.18326	0.9
445.20288	3.0
446.20795	1.3
447.22711	3.6
448.22433	1.0
449.23401	5.5
458.20850	1.9
459.21732	2.1
461.19418	1.7
462.19992	0.9
463.21194	1.4
475.21442	2.5
476.22043	5.3
477.22729	5.8
489.22720	2.0
503.24448	1.4
517.21069	0.8
519.23340	1.0
520.25098	0.7
521.21558	1.1
531.24060	1.1
533.25458	3.8
535.27118	4.6
545.25732	1.2
563.26538	18.8
563.35114	1.1
591.25970	1.5
593.28180	0.8
595.29169	1.2
605.27362	2.8
606.28058	1.0
623.28577	100.0
623.42993	6.4
624.28809	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05496	1.8
55.52736	0.5
55.69434	0.6
57.41377	0.5
65.12354	0.5
67.05510	4.2
69.07057	1.6
71.53805	0.8
79.05483	4.7
81.07037	3.7
83.04976	2.4
83.08611	1.0
91.05479	4.2
93.07030	4.5
95.04964	1.2
95.08576	2.6
95.15251	0.5
97.10172	1.4
105.07042	1.7
107.04970	0.6
107.08589	2.3
109.06557	0.6
109.10156	1.3
117.07022	1.5
119.08584	5.9
121.06475	1.0
121.10160	1.3
125.09614	1.0
129.07019	1.3
131.08571	1.0
133.06552	0.7
133.10138	0.9
135.08037	1.6
143.08618	1.0
145.06497	1.0
145.10136	1.1
157.10158	1.9
159.08090	1.3
159.11790	0.6
161.13249	0.6
169.10071	1.3
173.09621	1.3
183.11661	0.6
189.11253	0.6
250.33997	0.6
271.16922	1.3
289.17868	4.0
293.17621	0.5
303.74521	0.7
345.20627	0.7
377.17673	0.7
391.19260	1.8
392.20029	1.6
392.42844	0.6
393.20444	0.7
404.20325	1.0
405.16479	0.9
405.20963	1.9
406.21420	2.6
407.22003	1.5
418.17310	3.0
419.17825	3.6
420.23358	4.1
421.24210	3.3
432.19443	1.8
433.19958	8.2
434.20801	4.2
435.21851	1.5
442.51929	0.6
445.19891	0.8
446.20810	1.1
447.22153	5.4
448.22498	4.7
449.23563	4.1
461.24075	0.7
462.20502	1.0
463.21170	3.0
475.21429	1.8
476.21829	5.0
477.22873	7.6
478.23660	1.0
489.22726	2.1
490.23666	1.1
503.24396	1.5
521.21960	2.1
534.26208	4.8
535.27612	4.0
563.26483	23.1
564.26935	1.9
594.28247	0.9
595.29163	1.2
605.41870	1.1
623.28583	100.0
623.42938	6.6
624.28955	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94008	0.6
55.05489	1.6
57.47824	0.5
57.49638	0.5
63.89033	0.4
67.05495	2.2
69.07075	1.0
70.76505	1.0
70.76844	1.0
79.05489	2.1
81.07061	1.4
82.21924	0.5
89.70751	0.5
89.89410	0.6
91.05487	1.8
93.07034	2.0
95.04945	0.6
95.08605	1.4
96.08866	0.5
105.07027	0.7
107.08546	1.2
109.10133	0.8
117.07012	0.9
119.08575	2.1
121.10106	0.9
125.09663	0.6
131.08566	0.6
154.60535	0.5
157.48309	0.5
177.57028	0.5
189.11249	0.5
217.86702	0.5
253.83238	0.6
271.16946	0.9
289.18024	3.5
388.17236	0.6
389.17599	0.7
390.18301	0.8
391.19019	1.3
392.19974	0.7
402.18246	0.9
403.19083	2.0
404.20078	0.7
405.20966	1.2
407.22495	0.8
415.19305	1.3
416.20123	0.9
417.16382	1.1
417.21194	1.5
419.22763	3.1
420.23077	1.0
430.17331	1.1
430.22174	0.9
431.17743	2.6
432.18811	1.0
433.20102	6.7
434.20822	0.9
435.21838	0.6
443.18222	1.0
444.19507	1.9
445.20059	5.1
446.20966	3.3
447.21783	4.1
448.22519	1.2
449.23297	1.0
457.20355	1.0
458.20844	5.4
459.21951	4.7
460.22672	3.3
462.20355	0.9
463.21381	2.4
473.23352	1.7
475.20828	1.0
476.22266	1.7
477.22766	2.0
486.23898	0.7
505.21835	1.0
517.22229	0.8
518.22632	3.9
519.23859	0.6
521.21881	0.9
532.25201	0.8
533.25354	6.9
535.26013	1.2
545.25348	3.0
546.26611	0.9
563.26379	8.2
573.24762	1.0
605.27698	10.0
606.27106	0.7
623.28540	100.0
623.42590	2.5
624.28387	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	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.2
55.01851	7.3
55.05503	30.6
57.03427	10.0
61.02909	2.0
65.03910	3.6
67.05496	56.4
69.03420	21.2
69.07057	15.8
70.09335	2.8
70.09748	5.3
71.01345	2.5
71.04979	9.1
73.02895	2.4
79.05482	51.0
81.03408	100.0
81.07046	80.2
83.04973	23.8
83.08611	25.1
85.02888	25.9
85.06536	4.8
87.04491	1.5
91.05469	53.5
92.75097	1.3
93.06447	3.3
93.07030	47.5
95.04420	2.6
95.04961	31.5
95.08598	21.0
97.02871	17.7
97.06522	11.4
97.10210	7.1
99.04448	6.4
103.05477	2.0
105.07011	28.9
107.04938	11.6
107.08582	24.1
109.02864	19.5
109.06503	6.8
109.10143	8.2
111.04446	16.0
111.08064	11.4
113.06009	3.2
117.07005	13.2
119.04926	2.6
119.08563	20.9
121.06489	6.5
121.10130	16.1
123.04435	4.3
123.08051	3.2
123.11674	5.3
125.09628	5.9
127.03876	11.8
128.06226	3.0
129.05481	2.3
129.06975	13.8
131.04959	3.6
131.08562	19.8
133.06471	6.3
133.10106	18.4
135.08008	4.0
135.11661	7.0
137.06035	2.2
137.09593	2.7
141.06960	3.0
142.07796	1.8
143.08533	3.7
145.06471	4.0
145.10109	7.3
147.08057	4.9
147.11673	18.4
149.05907	1.7
149.09644	4.8
149.13234	12.1
151.11142	2.8
153.12793	2.2
155.08490	3.0
157.06445	2.1
157.10104	9.9
159.07982	2.8
159.11659	9.4
161.06012	2.5
161.09613	2.6
161.13217	2.1
163.11188	5.7
165.12758	4.8
171.08025	1.6
171.11647	1.5
172.15105	1.7
173.09669	1.7
175.11157	13.0
177.12770	5.9
181.10022	1.6
181.12221	2.7
183.06523	2.0
185.13277	3.0
189.11165	1.8
189.12784	1.7
191.10626	2.9
193.12209	35.4
195.12030	2.7
195.13683	11.5
201.12741	2.2
211.13258	52.6
213.14792	2.8
227.12759	4.6
229.14268	2.8
233.15402	2.2
235.13327	2.6
249.14810	2.0
251.16599	1.9
257.15375	2.9
261.14978	2.1
267.15939	11.5
269.17545	10.0
273.14777	3.4
275.16458	2.4
277.14374	1.6
285.17151	7.0
301.14230	3.1
303.16138	1.8
309.17084	3.0
321.17212	3.7
337.16473	2.5
339.17938	10.7
351.23474	1.6
355.17511	3.3
369.24265	4.2
375.18127	1.6
377.19507	3.0
387.25314	2.9
395.20493	7.5
411.20129	4.0
417.26682	2.1
426.22964	1.6
427.24500	1.8
431.81393	1.5
435.27484	3.0
443.28018	6.0
461.28879	23.0
479.30005	15.2
495.29562	2.3
503.30185	2.8
569.30859	3.1
587.32086	3.8
605.32977	8.0
623.34137	72.9
624.34802	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	623.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
55.01860	7.1
55.05513	21.0
57.03416	10.3
59.04981	2.5
61.02922	30.3
65.03921	4.9
67.05500	59.3
69.03428	18.9
69.07050	22.3
70.79516	3.2
70.79849	5.9
71.04982	8.5
73.02923	11.6
79.05046	3.3
79.05489	49.5
81.03410	30.7
81.07049	65.9
83.04967	8.4
83.08607	20.7
85.02902	28.8
85.06528	5.0
91.03943	15.7
91.05473	60.6
93.07039	52.4
95.04964	14.1
95.08602	36.1
96.14594	2.3
97.02888	23.9
97.06509	13.4
97.10158	6.1
99.04461	4.3
99.08052	3.0
101.13809	2.0
103.05467	4.9
104.32699	2.2
105.07018	50.7
107.04945	10.2
107.08585	23.1
109.02864	13.3
109.06513	7.3
109.10162	14.3
111.04449	3.7
111.08066	6.1
115.05481	3.5
117.07004	33.8
119.04967	3.4
119.08557	23.2
121.06504	9.2
121.10153	15.4
123.08047	3.1
123.61452	2.3
125.09624	5.6
127.03870	7.0
128.06207	9.0
129.07002	42.5
131.04922	5.2
131.08551	40.3
133.06487	6.4
133.10081	17.0
133.10893	2.2
135.08029	6.5
135.11636	7.2
137.09592	3.4
140.12178	2.2
141.06989	22.6
142.07738	4.0
143.08543	29.7
145.04854	2.3
145.06480	11.6
145.10095	24.1
147.08018	7.1
147.11707	11.0
149.09610	7.6
149.13251	5.8
153.07030	2.6
155.08556	27.3
157.06451	5.7
157.10126	23.4
159.08035	6.7
159.11699	14.2
161.09595	5.7
163.11172	3.3
165.06917	2.3
165.12762	3.1
167.08647	12.6
169.10088	16.4
171.08022	2.8
171.11717	10.8
173.09573	4.8
173.13264	5.8
175.11186	8.0
177.12717	7.7
179.08528	6.5
181.10106	12.4
183.08005	4.3
183.11703	9.4
185.13225	9.2
185.25352	2.3
187.11177	4.8
189.11157	2.7
189.12767	3.1
193.10123	6.1
193.12210	8.9
195.11644	12.3
195.13620	3.1
197.13245	7.4
199.11055	2.8
199.14665	3.5
201.12704	3.6
203.14386	5.1
207.11740	4.2
209.13235	6.3
210.76920	2.8
211.11552	2.5
211.13280	10.9
211.15016	4.8
215.14336	6.7
217.15796	2.3
219.11641	3.2
221.13226	8.8
223.14757	8.8
225.12697	4.1
225.16383	2.9
235.14890	4.6
237.16505	2.8
239.14214	6.7
241.16051	3.0
249.16409	4.2
253.15848	3.6
257.15518	3.7
271.16763	6.9
273.14566	3.1
303.15228	2.4
323.23669	6.2
333.22052	15.3
341.24619	8.4
351.23141	52.6
351.27075	4.3
355.17206	3.0
369.24219	39.9
387.25269	22.8
425.26843	8.6
443.27921	100.0
444.28149	6.3
461.28943	80.3
461.34360	2.0
479.29932	3.6
605.33160	4.7
623.34058	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01867	9.1
55.05504	31.2
57.03429	12.0
57.07063	1.8
58.38675	1.4
61.02925	3.6
65.03941	2.8
67.05496	54.9
69.03423	19.5
69.07059	16.2
69.27173	15.3
71.04651	1.8
71.04974	10.8
73.02911	3.5
79.05482	50.5
81.03409	100.0
81.07047	74.6
83.04971	22.7
83.08614	22.8
85.02900	24.5
85.06537	3.7
88.58461	1.4
88.80739	1.7
91.05468	47.3
92.05793	1.5
93.07031	49.6
95.04962	30.3
95.08595	26.7
97.02870	16.8
97.06488	10.9
97.10159	10.0
99.04447	7.4
105.07015	32.6
107.04946	13.3
107.08577	23.6
107.09267	1.6
109.02849	16.2
109.06490	7.6
109.10155	6.9
111.04433	13.3
111.08068	9.7
113.05968	3.3
115.05452	1.8
117.07017	12.3
119.08563	22.4
121.06524	6.6
121.10123	17.2
123.04439	3.6
123.08084	3.6
123.11694	6.3
125.06011	2.3
125.09652	6.5
127.03905	10.0
128.06230	2.6
129.05501	3.3
129.07002	12.1
131.04938	3.4
131.08525	18.5
133.06505	6.6
133.10123	15.5
135.08052	3.1
135.11671	7.7
137.05925	2.2
137.09621	2.6
141.07001	2.6
142.07776	2.5
143.08568	5.9
145.06468	6.0
145.10092	8.5
147.08081	5.0
147.11653	16.4
149.09612	6.8
149.13242	15.0
153.12801	2.0
155.08586	3.4
157.10094	11.8
159.11670	8.4
163.11203	5.9
165.12762	6.4
169.10121	2.9
171.11671	1.8
173.04466	3.1
175.11183	10.4
177.12798	4.8
181.12259	3.6
189.11224	2.9
191.10693	2.2
193.12233	34.5
195.12225	1.7
195.13766	10.2
197.13289	3.2
211.13261	48.8
212.13788	1.8
213.12727	2.3
213.14806	3.0
227.12712	7.5
239.14485	1.8
249.14964	3.9
257.15356	1.9
267.15878	14.0
269.17368	10.6
275.16583	2.8
283.15628	3.0
285.17120	8.4
301.14380	4.0
303.15942	4.6
304.43051	1.8
319.15579	2.2
321.16959	3.3
337.16531	2.9
339.17856	7.7
351.23181	3.6
369.24246	6.3
387.25473	3.9
395.20657	7.1
405.26080	2.2
411.20255	3.7
413.21680	2.1
415.69522	2.0
443.27969	5.7
461.28928	27.3
479.29999	17.0
503.30194	3.5
520.14844	1.7
545.31232	2.6
569.31165	2.2
587.32410	2.5
605.33368	11.3
623.34222	83.5
624.34131	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	623.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.8
55.01860	8.0
55.05505	32.0
57.03434	10.6
61.02907	2.7
65.03942	2.2
67.05497	62.8
67.86430	1.7
69.03426	19.3
69.07060	19.4
69.42064	17.0
70.81542	2.0
71.04984	9.9
79.05484	48.8
81.03408	100.0
81.06567	3.5
81.07046	72.2
83.04964	20.9
83.08603	27.5
85.02895	19.7
85.06556	3.3
91.05469	44.0
93.07034	50.3
95.04961	28.2
95.08593	28.2
97.02874	21.8
97.06517	15.6
97.10172	6.1
98.20755	4.3
99.04455	6.0
99.08092	3.0
105.07018	29.3
106.26123	1.8
107.04956	7.2
107.08588	26.3
109.02863	18.8
109.06488	7.0
109.10151	6.1
111.04424	13.8
111.08019	10.3
116.06286	1.8
117.07008	11.0
119.08576	20.6
121.06487	7.5
121.10121	16.3
123.08032	3.9
123.11667	4.0
125.09655	3.9
127.03876	11.7
128.06255	2.5
129.07019	11.1
131.08556	20.8
133.06493	3.0
133.10133	12.2
135.08037	3.2
135.11696	8.0
137.05998	2.5
141.06999	2.7
142.07745	2.6
143.08583	5.1
145.06494	4.9
145.10155	4.9
147.04388	2.2
147.08043	3.7
147.11664	16.1
149.06046	3.3
149.09596	6.3
149.13223	16.1
153.12773	3.0
155.08519	3.7
156.54121	2.0
157.06491	2.3
157.10141	8.8
159.11661	9.3
163.11160	4.5
165.12807	4.0
173.04462	2.5
173.09631	2.3
175.09789	2.1
175.11128	10.2
177.12732	4.0
181.12300	2.4
183.11659	2.7
185.13277	2.2
189.11194	2.0
191.10663	4.3
193.12207	29.8
195.13698	9.3
211.13252	53.2
227.12804	7.8
265.14349	2.1
267.16058	9.0
269.17593	11.1
273.14932	2.6
283.15744	2.0
285.17209	2.5
291.16263	2.0
301.14136	3.0
321.17328	2.6
337.16586	4.9
339.17975	3.2
351.23096	2.3
355.17410	12.6
369.24298	3.5
387.25296	2.8
395.20868	3.6
395.25537	1.9
411.20169	5.0
435.27695	2.7
443.27921	8.4
461.29007	23.0
479.29953	12.3
560.47528	2.0
587.31677	6.4
605.32788	5.5
623.34143	79.3
624.34442	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	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03938	13.2
55.01870	8.7
55.05507	26.1
57.03433	14.4
57.07059	2.6
61.02892	2.3
65.03918	4.1
67.05495	62.0
67.77374	1.7
69.03419	22.5
69.07058	22.7
70.27384	8.7
71.01286	2.2
71.04967	9.5
73.02894	4.2
79.05482	53.7
81.03409	100.0
81.06565	3.8
81.07045	74.0
83.04973	23.7
83.08604	27.6
85.02892	25.8
85.06535	4.2
87.04430	1.9
91.03926	2.5
91.05470	52.1
93.07028	52.0
95.04954	33.2
95.08596	24.8
97.02888	20.1
97.06514	10.6
97.10140	5.6
99.04427	6.1
99.08093	4.1
103.05478	2.1
105.07013	33.8
105.07668	3.0
107.04945	10.6
107.08588	26.9
109.02879	19.3
109.06498	6.5
109.10148	6.8
111.04430	17.9
111.08056	13.0
115.05445	3.3
117.07005	11.7
119.08569	21.8
121.06476	5.6
121.10123	16.9
123.04398	4.8
123.08060	3.7
123.11707	6.6
125.09599	4.4
127.03909	11.4
127.07491	1.9
128.06232	2.8
129.06999	12.6
131.08549	20.9
133.06458	4.3
133.10126	13.8
135.08008	4.7
135.11699	8.2
137.05980	2.1
137.09605	2.8
141.06912	3.5
142.07742	3.1
143.08543	6.4
145.04939	2.4
145.06468	4.8
145.10115	4.8
147.08083	3.7
147.11679	17.2
149.09590	5.4
149.13245	14.5
151.11110	2.4
153.12813	3.0
155.08528	4.6
157.10126	9.8
159.07994	2.1
159.11685	7.9
161.05725	2.0
163.11172	6.1
165.12727	3.8
169.51921	1.8
171.07976	2.3
171.11682	1.9
173.04462	3.3
173.09589	2.5
175.11188	12.7
177.12744	5.0
181.12177	4.3
183.06508	2.5
189.11270	2.0
191.10530	3.6
193.12209	31.4
195.12094	1.8
195.13786	9.9
211.13268	52.7
211.15253	3.0
227.12759	5.1
228.13019	1.9
229.14345	2.6
232.90309	2.0
267.15945	14.9
269.17477	10.4
275.15820	2.4
285.17007	6.5
301.14407	3.9
303.15985	2.7
321.16876	3.4
337.16284	3.9
339.18161	7.8
355.17639	5.4
369.24228	3.7
387.25150	3.1
395.20779	5.9
411.20081	4.4
443.27917	5.5
461.28918	23.1
479.30045	15.1
569.30933	2.7
587.31995	5.0
605.33362	8.9
623.34106	79.3
624.34906	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	623.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39904	1.4
53.03934	9.7
55.01860	5.6
55.05501	16.4
57.03423	6.3
57.07049	1.7
65.03917	3.8
67.05495	42.3
69.03404	3.5
69.07053	11.8
71.04963	2.3
71.53718	2.1
71.55101	1.2
71.86053	1.4
79.05486	37.9
81.03407	100.0
81.07043	39.4
83.04956	3.7
83.08598	4.8
85.06516	2.2
90.47633	1.2
91.05466	38.9
93.07030	33.0
95.01320	2.9
95.04952	20.9
95.08591	25.7
97.06532	2.9
97.10143	5.4
103.05437	3.1
105.07024	29.5
105.07666	1.2
107.04922	10.8
107.08582	16.4
109.02870	2.7
109.06495	3.8
109.10126	10.2
111.04432	1.5
111.08069	2.4
115.05428	10.6
117.07005	18.8
119.08575	14.3
121.06501	4.4
121.10123	10.5
123.08046	3.3
125.09624	4.1
128.06172	5.1
129.06984	8.9
129.18484	1.3
131.04913	7.8
131.08545	13.0
131.66635	1.4
133.06465	8.6
133.10118	12.2
135.08034	4.5
135.11661	5.8
137.05971	4.2
141.06926	3.3
142.07716	2.1
143.08542	9.1
145.06467	9.7
145.10110	11.2
147.04398	7.1
147.08002	3.3
147.11679	6.6
149.09608	3.5
149.13240	3.4
153.07005	1.7
155.08560	2.8
157.06514	3.7
157.10109	7.1
159.04391	3.9
159.07961	3.0
159.11676	6.8
160.05171	13.1
161.05962	28.3
161.08218	1.2
161.09549	7.4
161.13158	2.1
163.11151	4.7
169.10110	5.5
171.07993	3.1
171.11696	4.0
173.05942	23.7
173.09547	4.0
173.13232	3.3
175.11205	4.3
181.10178	2.2
183.11670	4.2
185.09621	3.8
185.13200	2.4
186.06664	2.1
187.07550	7.1
187.11166	2.7
187.14833	2.7
189.09081	3.0
189.11237	2.0
193.10077	1.9
193.12209	2.3
195.11638	2.9
197.13264	2.0
199.14793	2.4
203.10597	3.5
205.12082	3.1
209.09558	1.8
227.12718	2.2
243.13792	4.9
253.12383	1.6
259.20432	8.7
267.15704	1.7
271.13263	19.7
271.16818	7.6
273.14789	9.6
275.20093	2.6
281.07718	1.6
289.14307	10.5
289.17508	2.8
333.24280	5.0
335.25806	13.0
339.23114	2.5
345.16989	5.8
347.18542	4.7
378.17892	2.3
379.19388	1.9
391.19244	3.2
393.20593	5.0
404.15768	2.1
405.16583	2.9
405.21185	1.8
406.17395	2.6
407.18347	2.0
419.18622	4.6
420.19147	2.3
421.20175	5.2
433.20480	1.9
434.21332	2.2
447.17706	2.2
448.18900	4.4
449.19302	7.5
450.19766	1.4
462.20215	2.3
463.17743	2.0
475.21381	2.3
476.17999	2.3
477.19052	5.1
489.18927	2.4
503.20102	2.2
507.23566	4.4
513.33484	2.1
535.23346	14.8
545.21655	3.5
556.65411	1.6
563.22778	24.1
564.23224	3.9
595.24921	3.7
605.37921	6.5
623.24792	86.0
623.39636	35.8
624.25055	15.3
624.40027	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	623.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01855	12.2
55.05507	68.3
57.03423	8.0
65.03928	5.9
67.05494	67.5
69.03419	8.6
69.06764	2.1
69.07062	22.6
69.23393	2.6
69.23782	18.5
71.04984	2.5
79.05483	76.8
81.03407	4.0
81.07047	57.1
83.04961	6.9
83.08607	30.3
85.06522	2.6
91.05466	74.2
93.06454	3.7
93.07030	53.6
95.04976	12.2
95.08594	29.8
97.06493	3.2
97.10155	48.4
98.21452	3.5
103.05457	3.1
105.07021	25.4
107.04938	5.2
107.08576	43.7
109.06537	3.0
109.10128	18.8
111.08012	4.4
111.19840	1.9
115.05445	12.8
117.07011	65.3
119.08568	80.3
121.06471	7.0
121.10143	15.4
123.11720	2.0
125.09618	44.6
128.06218	2.6
129.07034	8.7
131.04849	2.1
131.08553	18.4
133.06477	2.0
133.10109	9.4
135.08058	16.0
135.11664	7.9
137.09572	3.7
141.06955	3.2
143.08525	14.9
143.10622	2.9
145.06468	65.2
145.10149	12.3
147.08057	8.8
147.11668	5.3
149.09697	2.1
149.13226	4.9
153.09076	8.1
155.08534	7.2
157.10086	11.5
159.08046	16.5
159.11632	5.0
161.09639	3.3
161.13319	3.4
163.07491	6.1
167.08548	3.1
169.10139	6.3
171.10155	3.7
171.11588	2.6
173.09619	4.7
173.13370	2.1
183.11649	2.9
185.09711	2.9
189.11195	46.8
197.13188	3.3
203.87854	1.9
215.14310	5.7
225.16383	5.3
227.12650	17.1
235.14719	2.3
243.17393	7.9
253.15852	8.3
261.18454	1.7
261.22156	4.3
271.16904	100.0
283.64957	2.5
289.17957	33.3
327.19693	3.4
329.70230	2.0
335.25803	23.4
345.20645	16.9
357.88327	2.4
363.21359	3.4
505.35144	6.3
531.38336	2.1
534.75775	2.0
605.41803	12.2
623.27661	3.4
623.43091	44.6
624.43927	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	623.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.5
55.01862	7.3
55.05505	51.5
57.03423	6.0
57.74831	1.6
65.03917	2.2
67.05498	62.0
69.03412	6.8
69.07062	14.2
70.66451	3.0
70.66817	3.3
71.04966	3.4
76.37771	1.4
79.05481	60.8
81.03400	3.0
81.06577	2.9
81.07045	51.4
83.04966	5.8
83.08608	19.9
85.06550	2.3
90.69619	1.3
91.05470	60.8
93.07032	39.6
95.04957	7.5
95.08594	23.9
97.06499	2.1
97.10164	37.3
103.05414	2.0
105.07015	18.5
107.04935	4.0
107.08578	36.1
109.06503	4.6
109.10125	10.8
111.08096	3.3
112.80502	1.6
115.05433	15.7
117.07007	63.0
119.08565	64.2
121.06487	5.0
121.10149	12.9
123.08048	1.4
123.11675	2.2
125.09612	34.0
128.06203	3.8
129.06979	8.4
129.89352	1.5
131.08565	17.0
133.06464	2.5
133.10121	6.4
135.08049	14.2
135.11667	6.3
137.09598	2.2
141.06955	3.2
143.08542	15.4
145.06471	75.7
145.10081	9.6
147.08038	7.2
147.11659	4.3
149.09537	2.3
149.13243	2.2
153.09091	5.6
155.08521	6.6
157.10110	10.7
159.08022	12.5
159.11678	5.2
161.09628	2.1
163.07529	3.3
163.14738	1.5
167.08522	1.8
169.10080	5.4
171.10204	2.1
171.11696	2.2
173.09569	4.1
173.13152	1.7
181.10129	2.1
183.11632	3.8
187.14798	1.7
189.11188	37.1
190.11562	1.6
196.12471	1.6
199.14780	1.7
211.14743	1.8
225.16321	4.4
227.12738	22.0
235.14964	2.3
243.17526	7.8
245.13702	1.5
253.15862	5.8
261.22079	4.1
271.16901	100.0
272.17249	2.8
289.17972	18.4
335.25699	14.2
345.20544	16.1
379.29633	1.6
493.89630	1.6
505.35037	2.7
570.80591	1.7
605.41913	12.1
623.27625	6.3
623.43036	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03936	0.2
54.24418	0.2
55.05483	0.3
57.03435	1.6
61.02918	1.8
63.07732	0.2
68.99757	0.3
69.03408	0.4
69.51211	0.2
69.94788	1.0
71.04987	12.7
73.02891	0.8
75.04445	0.6
81.03421	0.3
83.04975	0.5
85.02896	15.1
85.79726	0.2
91.03925	1.1
92.02605	0.6
93.03372	0.8
97.02885	0.9
99.04468	0.2
121.02838	0.8
126.03109	0.3
127.03869	0.5
129.04536	0.2
129.05464	3.6
139.03868	0.7
145.04976	0.4
147.06508	1.2
151.03876	0.5
153.01804	6.5
165.01796	0.6
165.34846	0.2
184.87395	0.2
186.09286	0.2
201.05515	0.5
203.03374	0.3
217.04950	0.6
218.05647	0.4
219.02679	0.3
228.04166	1.1
229.04941	2.6
245.04486	0.9
246.05150	1.5
257.04440	2.4
273.03882	1.4
274.04694	4.0
284.02914	0.4
285.03906	3.6
302.04190	11.7
303.04428	0.4
317.06528	100.0
318.06912	3.6
383.07532	0.3
404.38950	0.2
479.11496	0.5
581.03052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01862	20.1
55.05503	26.3
57.03415	10.6
57.07063	3.2
57.26249	2.6
58.67693	2.4
63.96367	2.3
65.03928	4.2
67.05170	5.0
67.05497	60.7
69.07060	50.7
69.26419	24.5
69.26827	6.0
71.04972	5.5
79.05480	52.0
81.03396	9.4
81.07050	64.3
83.04955	9.0
83.08601	12.9
85.06531	5.6
91.05471	52.6
93.07026	50.5
95.04951	13.5
95.08591	49.6
97.06527	23.2
97.10133	7.0
99.08049	3.6
105.07025	42.4
107.04971	9.7
107.08572	29.5
109.06496	11.9
109.10160	22.3
117.07014	22.1
119.08565	33.2
121.06470	5.2
121.10121	17.9
123.08035	9.1
123.11665	6.1
124.32772	3.0
125.09612	5.7
128.06218	4.7
129.06967	14.2
131.08548	30.8
133.06401	5.1
133.10114	33.1
135.08018	7.2
135.11653	10.6
137.09586	6.1
139.11179	3.1
141.06950	4.9
142.07762	3.4
143.08559	20.3
144.64832	2.6
145.06393	3.0
145.10097	32.3
147.08023	4.3
147.11687	25.2
149.09564	7.3
149.13251	7.7
155.08513	11.8
157.10081	19.9
159.11661	19.1
160.05077	3.0
161.09544	4.7
161.13229	12.7
163.11137	3.8
167.08484	6.1
169.10135	12.6
171.11652	17.9
173.13281	13.8
175.14842	8.8
177.12784	3.6
179.08588	3.3
181.10072	8.9
183.11676	17.5
185.13286	14.6
187.14781	6.9
193.10010	4.3
194.60309	3.1
195.11671	8.9
197.13260	12.5
199.14812	7.6
201.16385	3.4
209.13216	4.1
211.14879	6.3
213.16434	4.7
215.17824	3.5
217.15947	6.4
221.13133	3.7
223.14809	6.6
223.25999	3.0
239.18022	3.4
241.19508	9.3
245.19109	3.5
251.18037	4.3
255.17487	3.0
257.18954	6.5
259.20660	11.7
263.43692	2.9
273.18488	13.2
275.20047	20.4
279.21231	3.4
289.21365	3.8
291.19513	4.2
333.24301	6.5
335.25858	6.1
347.22110	4.5
349.23734	11.0
364.01205	3.1
437.33936	9.0
479.20358	4.1
511.38071	5.7
513.35657	6.2
515.38849	9.2
527.37366	13.2
529.38684	5.1
533.40015	14.6
551.40948	6.9
565.24554	8.9
607.43433	43.7
625.27014	31.0
625.44403	100.0
626.26447	7.1
626.44592	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40363	0.8
53.03939	4.5
55.01857	3.5
55.05507	27.0
57.03422	3.6
57.07065	1.2
65.03926	3.6
67.05497	51.4
69.03421	7.9
69.07063	32.4
71.04978	2.9
77.01823	0.7
77.03922	1.0
79.05483	45.3
81.03415	4.2
81.07049	38.9
83.04967	3.7
83.08604	8.2
85.06533	2.2
87.04481	0.9
91.05472	30.4
93.07032	43.9
95.04959	9.8
95.08595	26.0
97.02883	10.8
97.06521	4.2
97.10157	9.3
98.21587	1.6
99.08071	1.0
100.75437	0.8
105.04496	1.0
105.07018	21.6
107.04935	6.1
107.08579	22.0
108.08929	1.0
109.06497	4.5
109.10140	12.6
111.08072	2.4
115.05464	1.8
116.06243	0.9
117.07009	10.6
119.08562	16.7
121.06509	2.6
121.10126	15.4
123.08040	3.4
123.11723	2.6
125.09605	7.4
128.06207	1.5
129.06995	4.8
131.08549	13.2
133.06488	2.8
133.10115	9.4
135.08051	2.7
135.11664	9.4
137.09622	2.5
141.06992	1.2
143.08522	3.7
145.06441	1.2
145.10109	7.6
147.08081	4.8
147.11644	5.3
149.09621	1.8
149.13248	5.2
155.08589	1.4
157.10112	3.9
159.11674	6.8
161.09666	1.2
161.13264	3.0
163.11191	1.5
163.14886	0.9
165.09143	1.1
169.10130	1.7
171.10172	0.7
171.11647	2.7
173.13248	1.9
175.11223	1.8
177.12749	2.6
179.10701	1.3
181.10083	1.0
183.11707	1.0
185.13324	1.9
187.14848	1.9
189.11194	1.9
193.12299	0.9
195.13750	1.2
197.13339	1.1
199.14821	1.0
201.16286	1.2
205.12236	2.5
209.13220	1.6
213.14745	1.0
219.72063	0.7
223.13254	21.3
223.15382	1.0
227.12775	1.4
229.71925	0.8
245.19002	1.6
249.14960	1.3
255.17336	1.7
261.22229	3.8
263.20050	1.4
273.18457	11.7
291.19504	100.0
292.19916	2.2
302.31583	0.7
302.80707	1.0
309.20596	0.9
317.24823	2.2
330.01138	1.0
335.26065	1.6
347.22061	1.5
365.23584	1.5
430.01321	0.9
460.43411	0.7
562.57648	0.8
607.43341	2.5
619.79944	0.8
625.44550	74.9
626.44781	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68232	2.6
51.23292	3.2
53.03924	6.9
55.01871	50.6
55.05507	35.5
56.75515	2.9
57.03427	13.6
57.07064	4.9
63.77197	2.6
65.03944	5.7
67.05495	72.0
69.03471	3.1
69.07061	87.7
70.01321	6.3
70.01685	14.5
71.04978	5.8
79.05483	61.1
81.03410	14.3
81.07045	82.5
81.07515	4.7
83.04968	14.9
83.08624	14.6
85.06534	4.9
88.83572	2.6
91.05470	73.0
91.06005	5.1
93.07034	59.7
93.97207	2.9
94.80398	3.2
95.01302	6.2
95.04962	17.3
95.08595	59.5
97.06509	51.0
97.10163	9.4
99.08078	5.5
103.05493	4.6
105.04499	2.9
105.07019	72.9
107.04935	19.5
107.08588	37.3
109.06509	10.8
109.10173	19.1
109.10827	2.7
111.08093	3.4
115.05429	6.4
117.07004	29.2
119.08554	55.3
121.06481	5.0
121.10132	22.1
123.08076	7.6
123.11716	5.7
125.09640	8.3
128.06226	8.2
129.07014	23.1
130.07823	3.5
131.08559	53.7
133.06491	3.5
133.10129	45.9
135.08064	6.9
135.11661	15.1
137.09584	5.0
139.11171	2.9
141.07025	8.3
142.07762	5.1
143.08559	30.8
145.06477	6.0
145.10112	43.6
147.07986	6.5
147.11659	26.3
149.09648	10.6
149.13246	10.2
151.11125	3.1
153.99480	2.8
155.08525	15.4
156.09242	3.9
157.10098	28.5
159.11668	35.5
161.09612	5.6
161.13240	19.7
163.11215	7.3
167.08597	7.0
169.10092	24.1
171.10266	7.1
171.11612	25.1
173.13255	22.1
175.11214	6.7
175.14833	9.4
177.12770	5.5
179.14285	8.8
181.10103	11.6
183.11647	16.8
185.13240	20.5
187.11221	5.2
187.14835	8.9
195.11682	11.3
197.13293	13.0
199.14859	11.6
201.16420	4.3
204.72488	2.8
209.13313	7.4
211.14920	7.2
213.16472	5.0
221.13213	3.4
223.14789	5.7
225.16357	3.1
227.17975	4.3
229.19676	3.5
231.21082	3.9
233.13235	3.6
237.16417	6.0
239.18158	4.4
241.19521	23.3
245.19026	4.1
257.19064	11.0
259.20523	22.1
273.18542	12.7
275.20047	50.5
275.22766	4.4
277.21655	3.8
285.22009	4.2
291.19873	3.7
293.21228	5.4
315.23276	5.2
333.24048	18.5
341.24866	3.2
342.76358	3.2
349.23691	29.2
353.24695	3.0
376.93936	2.9
419.32867	3.4
435.32657	10.8
437.34222	19.5
493.36890	4.0
495.34818	4.0
502.52048	3.0
511.37781	9.7
513.35870	9.9
515.38739	10.4
527.37653	10.4
529.39075	12.7
533.40021	14.1
538.36438	3.7
551.41003	8.0
555.36511	3.7
607.43530	59.2
625.28857	11.9
625.44604	100.0
626.44598	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01862	5.5
55.05254	1.6
55.05507	21.7
57.03426	3.7
57.07061	1.3
57.89904	0.9
65.03926	3.8
67.05497	49.2
67.75628	0.7
69.03415	10.2
69.07061	27.3
69.46578	7.8
71.04979	2.8
79.05483	44.4
81.03424	4.2
81.07047	43.7
83.04969	4.7
83.08606	6.9
85.06528	1.8
91.05471	29.9
91.75940	0.9
93.07030	42.5
95.04958	9.4
95.08594	26.6
95.09218	1.0
97.02881	7.8
97.06508	4.6
97.10149	9.8
103.05464	1.3
105.04523	1.3
105.07017	21.2
105.53527	0.9
107.04934	6.4
107.08585	22.1
107.09290	1.6
108.08871	0.8
109.02845	0.9
109.06516	7.0
109.10136	12.7
111.04434	2.0
111.08076	2.4
115.05443	2.1
117.06988	11.0
119.04913	1.1
119.08568	18.4
121.06496	3.6
121.10118	13.8
123.08061	5.7
123.11784	1.9
125.09620	6.5
128.06213	1.4
129.06987	6.7
130.07767	1.1
131.08554	12.7
133.06454	1.5
133.10117	9.4
135.08034	3.1
135.11665	7.6
137.09596	3.2
141.06972	2.2
143.08511	4.9
145.10095	9.5
147.08014	5.3
147.11658	6.0
149.09599	2.3
149.13235	4.3
151.11200	1.9
153.12743	1.3
155.08540	1.3
156.73254	0.9
157.10135	4.7
159.08069	1.3
159.11642	5.6
161.09615	3.5
161.13251	2.4
163.11142	2.1
163.14914	0.9
165.09074	1.8
169.10139	2.0
171.11736	3.0
173.11813	1.3
173.13284	2.8
175.11188	2.6
175.14807	1.0
177.12733	2.6
181.10272	0.9
183.11722	1.4
185.13271	1.6
187.11113	1.2
187.14821	1.4
189.11237	3.7
189.12840	1.3
195.11734	1.8
195.13841	1.6
197.13174	1.1
199.14839	1.3
205.12271	2.3
211.14758	1.2
213.16504	1.4
223.13232	16.2
227.12846	3.3
227.17960	1.2
237.16458	1.2
243.20882	1.3
245.19048	1.6
249.14967	2.5
255.17509	2.0
259.20596	1.1
261.22180	3.4
271.06674	0.9
273.18454	16.8
273.21143	1.1
291.19498	100.0
292.19962	4.1
309.20654	1.8
317.24738	1.9
322.86420	0.9
335.25687	7.0
347.22284	3.7
365.23297	2.9
365.27997	1.1
527.37036	1.1
551.40710	1.7
607.43488	4.6
625.44537	79.3
626.45117	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01865	4.7
55.05258	2.3
55.05508	26.8
57.03430	2.1
57.07060	1.8
65.03924	3.3
67.05500	49.8
67.05866	2.7
69.03422	7.5
69.07059	28.7
71.04972	2.3
71.54123	2.1
73.04856	1.4
76.67595	1.3
79.05485	45.6
81.03405	5.8
81.07047	45.8
83.04962	3.7
83.08600	11.0
85.06526	1.8
91.05470	31.1
93.07029	44.2
95.04963	9.9
95.08587	27.7
95.09146	2.0
97.02887	12.1
97.06533	3.5
97.10159	11.8
103.05379	1.6
105.07018	22.2
106.41122	1.4
107.04967	8.5
107.05614	1.5
107.08584	24.7
109.06523	4.3
109.10140	14.3
111.08093	2.0
112.89826	1.3
115.05395	2.2
117.07008	13.2
119.08579	19.8
121.06516	3.1
121.10155	15.4
123.08081	3.0
123.11685	4.6
125.09608	6.9
129.06995	4.1
130.07841	1.6
131.08524	14.2
132.50134	1.3
133.06491	3.5
133.10127	10.1
135.08049	3.4
135.11655	10.5
137.09619	2.5
141.07010	1.4
141.74809	1.3
142.07785	1.6
143.08585	5.3
145.10095	9.1
147.08034	5.0
147.11650	7.1
149.09590	2.9
149.13271	7.0
157.10123	5.1
159.11699	5.2
161.09557	2.2
161.13240	2.7
161.85248	1.5
162.92477	1.6
163.14783	1.8
165.09088	2.2
169.10109	1.6
171.11775	2.7
173.13243	3.1
175.11246	2.1
177.12787	2.2
181.10075	1.6
183.11749	3.2
185.13252	3.4
186.62912	1.4
187.11177	1.5
187.14882	2.0
189.11194	5.2
189.16255	1.5
192.93831	1.5
195.13843	2.3
197.13211	1.8
205.12300	2.2
211.14761	1.6
213.16673	1.7
223.13257	18.1
227.12747	3.0
233.37228	1.5
243.21158	2.1
257.19034	1.9
258.53845	1.5
261.22141	4.8
273.18448	15.4
291.19522	97.1
292.19824	4.3
335.25751	2.8
365.23334	2.7
432.66422	1.6
533.39716	1.7
551.41504	3.7
607.43860	6.7
625.44574	100.0
626.44867	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	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03942	4.9
55.01866	6.8
55.05506	29.4
57.03427	7.2
57.07063	2.8
57.68359	1.0
65.03931	4.6
67.05496	70.6
68.05815	0.9
69.03426	10.6
69.07059	30.9
71.04987	4.6
71.34914	0.9
71.53897	1.1
79.05483	57.9
79.62460	0.9
80.05818	2.0
81.03411	5.0
81.07049	54.7
82.07392	2.5
83.04986	7.0
83.08607	12.8
85.06539	4.5
91.05470	41.7
92.05804	1.5
93.07034	55.3
94.07362	1.8
95.04958	20.4
95.08592	34.9
97.02882	9.1
97.06521	4.4
97.10152	13.4
99.08043	1.1
105.04504	2.3
105.07021	26.5
107.04930	8.0
107.08583	29.8
109.06503	14.0
109.10143	16.8
111.08072	3.7
113.05990	7.7
115.05466	2.1
117.07000	17.9
118.07316	1.5
119.04959	1.9
119.08567	26.2
120.08903	1.6
121.06493	5.4
121.10120	17.5
123.08059	5.6
123.11707	4.2
125.09613	10.7
126.09950	1.2
128.06224	2.6
129.07002	6.8
130.07771	2.7
131.08551	18.3
133.06490	2.7
133.10110	13.7
133.80640	1.0
134.10495	1.3
135.08040	9.8
135.11671	10.4
136.08388	1.0
137.09599	3.4
141.07011	1.6
142.07745	1.4
143.08563	9.5
145.06516	5.1
145.10101	13.9
146.10448	1.2
147.08008	8.3
147.11670	8.6
149.09601	3.2
149.13248	6.6
151.11226	1.3
155.08589	3.6
157.10133	7.8
159.07961	1.3
159.11699	9.4
161.09592	5.8
161.13286	3.2
163.11189	2.9
163.14879	1.4
165.09137	1.2
169.10103	4.7
171.11670	6.8
173.09637	1.1
173.11951	1.2
173.13268	5.4
175.11201	3.3
175.14789	1.8
177.12747	2.7
181.10048	2.3
183.11691	3.9
185.13342	2.8
187.11116	1.7
187.14871	2.2
188.15228	1.0
189.11230	3.4
189.12769	1.5
191.14352	1.5
195.11719	1.7
197.13278	3.1
199.11143	1.7
199.14835	2.0
201.12753	1.1
205.12268	1.6
213.16472	1.8
217.15921	3.3
223.13272	15.9
227.12831	3.2
227.17891	2.5
235.49162	0.9
237.16306	1.2
239.17955	1.2
241.19659	1.4
243.21034	2.1
244.45670	0.9
245.19008	2.6
249.14726	1.7
255.17439	2.8
257.19156	1.0
259.20593	1.1
261.22153	3.6
263.20132	1.2
271.16885	1.9
272.17383	2.9
273.18484	27.5
274.18839	1.7
275.20023	2.0
289.17978	1.6
291.19507	100.0
292.19830	5.3
333.24435	1.1
334.14932	1.0
335.25726	4.7
347.22150	4.2
365.23132	1.3
365.28699	1.4
381.31497	1.7
421.23853	2.2
465.22760	1.4
515.38507	1.3
527.37695	1.4
533.39600	2.6
547.17426	1.1
551.40814	2.3
607.43201	7.2
625.30524	4.9
625.44543	89.1
626.44800	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	626.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01859	8.2
57.03431	4.4
61.02917	3.8
68.99760	2.9
69.03419	23.5
70.66975	2.7
71.04972	3.8
73.02911	5.9
79.05473	1.5
81.03405	20.7
81.07014	1.2
83.04962	0.7
85.02892	59.0
87.00817	23.7
87.04449	0.8
87.52121	0.8
91.03925	1.7
91.05468	9.8
93.07018	1.1
94.04202	2.0
95.04947	3.3
95.08543	0.8
97.02276	1.6
97.02879	21.2
99.04435	10.7
101.02333	1.5
103.05417	2.7
105.01179	1.4
105.01853	18.7
105.06997	2.5
107.04920	3.4
107.08572	0.9
109.02115	1.0
109.02863	16.5
109.06485	2.1
111.04417	1.9
115.03915	3.6
115.05442	1.7
117.01839	2.9
117.06976	1.4
119.04929	6.4
121.06461	3.1
122.03629	4.4
127.03901	28.8
129.01822	2.7
129.06981	4.5
131.04903	6.4
131.08569	1.1
133.06422	1.9
135.08003	2.3
136.05173	0.9
137.05957	77.1
143.04945	1.0
145.04919	10.5
145.06422	2.7
147.02788	1.7
147.04320	0.8
149.05956	7.2
151.03932	4.9
151.07520	50.7
152.07867	1.2
157.06436	6.2
159.02892	10.2
161.05957	12.0
161.09578	1.7
162.06807	1.5
163.03821	1.2
163.07510	21.4
165.06955	1.4
165.09119	2.4
167.07156	1.0
167.08531	3.5
169.06467	1.2
171.02876	1.0
171.08022	1.2
174.06737	3.2
175.07512	12.4
175.11226	0.8
177.07585	1.6
177.09081	21.7
178.07788	1.5
181.06439	1.0
181.10152	1.1
187.07555	1.6
189.03976	1.2
189.09074	19.4
191.06989	1.5
193.06480	1.4
193.10085	2.3
195.08028	7.8
195.10120	3.6
199.07602	1.0
201.09073	2.7
203.06979	2.6
205.04652	1.4
207.08281	1.4
207.10019	4.9
209.06082	1.8
209.08055	4.7
209.09778	1.5
210.06764	1.3
211.07489	1.8
212.08371	1.3
215.06952	1.7
219.04880	2.1
219.08167	1.3
219.10092	4.6
221.06013	4.0
221.09560	4.4
221.11749	2.8
222.06697	1.1
223.07555	4.9
224.08284	2.1
225.09053	3.7
227.07115	1.1
227.10626	13.9
231.04900	5.1
233.09590	1.3
235.07417	2.0
237.09044	2.5
238.06035	1.1
239.06886	1.1
240.07643	1.3
241.08534	1.9
241.12158	1.5
243.10202	1.3
243.23523	1.0
247.07338	1.0
249.06316	1.0
249.09015	2.9
249.11227	5.4
251.07170	1.0
251.10481	0.9
252.07782	1.8
253.08546	6.6
253.12238	8.6
255.10156	16.1
257.07928	1.0
261.08804	1.6
261.11230	3.6
263.10587	1.1
265.08569	3.3
266.09030	1.6
267.10147	3.8
269.08011	2.7
269.11618	1.9
270.08890	1.0
272.10342	1.5
273.11279	1.7
277.08557	1.9
277.12048	1.0
278.09335	1.5
279.10068	2.5
281.08304	1.3
281.11652	3.8
284.10352	2.7
285.11172	11.3
287.12769	21.9
291.09869	1.3
293.11716	3.2
297.11237	6.4
298.11740	1.2
299.12766	11.7
305.11658	2.5
307.09711	1.3
309.11166	3.5
311.12747	11.2
313.14243	19.1
317.11310	1.0
321.11270	1.7
323.12698	3.0
325.14334	3.0
331.15353	100.0
332.15683	4.8
335.12723	2.5
337.14224	2.6
341.13690	2.9
343.15387	32.3
344.15527	1.5
347.12744	1.7
349.14258	1.4
353.13773	3.6
355.15268	9.0
365.13913	1.8
367.15298	4.9
379.15192	2.1
385.16507	2.4
389.13080	1.0
397.16489	6.0
403.15244	3.7
404.16074	1.1
419.13861	1.3
421.16397	11.6
429.24887	0.9
439.17502	5.6
469.37225	0.9
507.16446	1.9
519.51178	1.1
525.17694	4.5
543.18500	7.7
561.19543	4.3
579.20581	1.2
627.24152	1.3
638.76135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03938	0.5
53.47688	0.3
54.61069	0.3
55.01885	0.3
56.03096	0.3
57.03433	2.1
61.02926	1.8
66.49326	0.3
68.99768	0.7
69.03420	0.9
70.96809	0.8
71.04583	0.7
71.04981	12.8
73.02891	1.0
75.04456	0.4
81.03407	0.6
83.04976	0.6
85.02893	14.5
91.03949	1.1
97.02865	1.5
99.04463	0.3
109.02866	1.4
110.78738	0.3
111.00812	2.1
111.04451	0.5
113.77258	0.3
121.02851	0.3
127.03908	1.0
129.05469	3.6
137.02336	2.1
141.20564	0.3
145.04948	0.7
147.06483	1.4
153.01810	7.9
153.02969	0.6
165.01825	3.9
166.02565	0.4
167.14574	0.3
179.03387	1.1
183.02905	0.9
189.05402	0.6
195.02995	0.5
199.03989	0.4
202.67986	0.3
203.03380	0.5
207.02907	0.4
207.54361	0.4
217.04912	2.9
222.71167	0.4
229.04984	0.9
242.73485	0.3
245.04448	3.8
255.02892	0.6
257.04480	0.5
263.05466	0.5
273.03940	4.0
290.04193	1.0
301.03351	1.0
303.04953	13.0
319.04443	100.0
320.04758	1.7
331.04440	0.6
361.05566	0.5
385.05450	0.4
465.10172	0.8
481.09631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
61.02922	6.7
63.74570	0.4
68.99779	0.5
69.03401	1.3
69.38116	1.4
69.38541	1.7
73.02906	2.1
74.97804	0.3
77.47611	0.3
81.03388	1.1
85.02896	8.9
91.03941	5.8
93.03364	0.6
95.04924	0.4
97.02876	4.9
98.21481	0.8
99.04459	0.4
109.02863	1.0
111.00774	0.7
115.03903	0.7
119.36110	0.4
121.02857	0.8
123.04366	0.4
124.77850	0.3
127.03921	2.4
137.02324	3.5
145.04929	3.1
147.04393	0.7
152.14839	0.4
153.01819	3.3
163.03896	0.7
163.06021	1.7
165.01828	1.7
183.02884	0.6
201.05493	1.2
229.04927	3.2
247.06044	0.6
257.04404	2.0
274.04736	0.6
285.04257	0.7
303.04965	100.0
304.05289	2.2
315.04898	2.0
319.04553	0.6
327.05014	0.9
341.06226	0.5
345.05960	2.6
369.06171	2.2
393.06104	0.5
399.07117	0.5
429.08029	0.9
447.09293	0.5
465.10181	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	627.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.15935	0.2
55.01860	0.2
57.01649	0.2
57.03419	0.6
61.02642	0.2
61.02922	4.3
67.05470	0.2
68.24535	0.2
68.99768	0.5
69.03407	0.9
70.19415	0.5
70.19808	0.5
71.04990	1.2
71.81379	0.2
73.02897	0.9
73.03703	0.2
81.03391	0.3
85.02407	0.3
85.02895	5.6
91.03945	2.5
97.02872	2.0
98.14111	0.2
99.04437	0.4
109.02847	0.4
111.00792	1.2
121.02847	0.6
123.04459	0.5
127.03915	1.1
129.05473	0.5
137.02325	3.1
139.03915	0.3
144.08051	0.7
145.02734	0.2
145.04910	0.4
147.04265	0.3
149.02271	0.2
153.00653	0.4
153.01807	3.6
155.04744	0.2
161.06023	0.3
163.03900	1.1
165.01817	2.1
166.02620	0.4
171.49321	0.2
173.05913	0.4
181.23381	0.2
183.02849	1.0
183.04274	0.2
190.99335	0.2
191.03340	0.2
201.05476	1.3
209.09946	0.2
219.06667	0.3
229.04939	3.8
242.21895	0.2
245.04388	0.3
247.06088	0.4
257.04410	3.0
274.04572	0.5
275.05319	0.3
285.03986	1.3
303.04956	100.0
304.05258	1.0
319.04443	5.7
465.10275	7.9
481.09756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52666	0.1
53.03928	0.4
55.01856	0.4
57.03415	0.7
61.02922	1.0
65.03922	0.2
67.05457	0.1
68.99778	0.4
69.03425	1.9
69.29894	0.6
69.30319	0.9
70.06582	0.2
71.04972	0.4
73.02895	0.3
78.50729	0.1
78.86949	0.1
81.03410	1.3
82.09727	0.1
85.02898	6.8
87.04452	0.3
91.03926	0.4
93.03377	0.1
95.04934	0.3
95.05916	0.2
97.02891	2.6
99.04440	0.4
103.57404	0.2
108.79366	0.1
109.02863	1.1
111.00780	0.8
121.02875	0.9
123.04422	0.3
127.03913	1.5
135.04373	0.2
137.02341	3.0
137.03371	0.2
137.09587	0.2
138.09091	0.2
144.08049	0.3
145.04939	1.1
147.04337	0.2
149.02336	0.7
151.03928	0.2
153.01805	3.4
161.05988	0.3
163.03923	0.8
165.01828	1.5
165.09177	0.2
168.39218	0.1
171.02779	0.2
173.05910	0.3
177.05426	0.2
183.02899	0.9
183.04228	0.2
187.03993	0.2
193.04985	0.1
195.02899	0.3
201.05476	1.4
201.11189	0.2
205.05003	0.2
207.02721	0.1
213.05437	0.4
219.02910	0.2
228.04260	0.2
229.04970	3.6
239.03421	0.3
247.06010	0.9
257.04422	2.7
273.07507	0.3
274.04721	0.8
275.05475	0.2
285.03922	1.3
303.04959	100.0
304.05338	3.0
319.04443	0.8
345.06113	0.3
465.10266	7.4
466.10645	0.2
629.31750	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	627.1548
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
52.86068	0.2
53.03918	0.2
54.03120	0.1
55.01872	0.2
55.05490	0.2
57.03425	2.1
57.98132	0.2
60.19971	0.2
60.80764	0.2
61.02913	1.7
65.03961	0.2
68.99767	1.0
69.03431	0.8
69.83195	0.9
70.06555	0.2
71.01327	0.2
71.04980	12.1
73.02914	0.9
73.74375	0.2
75.04462	0.8
81.03397	0.5
83.04978	0.9
85.02890	15.9
87.04446	0.3
91.03940	1.2
97.02868	1.6
98.20805	0.2
103.05408	0.2
109.02850	0.9
111.00774	1.8
111.04414	0.9
123.04332	0.2
124.88615	0.2
125.02314	0.2
127.03907	1.0
129.05453	4.7
135.04375	0.4
137.02333	1.7
139.03865	0.7
145.04912	0.5
147.04410	0.5
147.06471	1.3
152.18057	0.2
153.01802	8.7
153.05402	0.2
157.33739	0.2
163.03900	0.5
165.01810	2.8
166.02599	0.3
177.05476	0.5
179.03377	1.1
183.02876	1.2
189.05441	0.8
191.03355	0.2
193.01274	0.3
195.02843	0.5
199.03870	0.3
203.03424	0.5
207.02878	0.3
217.04945	2.7
219.02866	0.2
221.04561	0.2
227.03331	0.5
229.05002	0.4
235.02345	0.3
235.05887	0.2
244.03549	0.2
245.04417	4.0
255.02820	0.5
257.59103	0.2
261.03650	0.2
263.05447	0.6
273.03900	3.7
273.06671	0.3
290.04129	1.1
291.04590	0.2
301.03372	0.9
303.04968	3.4
319.04425	100.0
320.04764	1.4
329.02979	0.2
331.04474	1.4
343.04361	0.6
357.05634	0.2
361.05417	1.9
385.05347	1.2
397.05585	0.3
415.06448	0.2
427.06406	0.5
445.07410	0.4
463.08737	0.4
465.10120	0.5
465.17352	0.2
481.09689	2.8
627.23096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
61.46879	1.1
62.02551	1.1
63.90541	1.0
67.05495	3.4
69.07025	1.5
71.54559	1.8
72.10117	1.3
79.05490	1.5
81.07034	2.8
91.05478	1.9
92.52790	1.0
93.07050	2.8
105.07056	2.3
109.10210	1.2
118.22318	1.1
128.06113	1.6
131.07297	1.1
138.09164	1.4
146.09650	1.3
159.09201	1.1
167.07109	2.6
174.09145	4.0
186.09146	1.6
187.12300	4.5
188.10788	1.9
210.09305	1.4
215.11761	1.9
225.10239	3.8
227.11816	2.3
237.10402	1.4
239.11861	1.8
241.13351	2.4
243.11249	25.8
243.13583	1.8
249.10332	2.0
251.11858	1.8
252.09190	1.3
253.09671	2.3
267.11258	5.7
269.12970	2.4
277.09631	2.3
279.40652	1.2
285.12430	2.6
286.10983	1.2
291.11392	1.5
295.10803	3.1
301.15695	2.1
305.11951	1.5
316.10684	1.7
319.10693	1.7
325.15430	11.1
327.13373	2.8
328.11029	1.4
329.11816	1.6
330.12366	2.9
334.15482	1.7
342.12442	2.7
343.13281	3.5
344.13843	2.5
344.17902	1.5
345.14798	1.8
346.15622	2.0
348.13513	5.1
356.13995	3.4
357.14832	1.8
358.15482	3.0
360.16986	2.3
368.10324	1.2
370.15674	1.9
371.16464	1.4
372.17123	4.0
374.15121	2.3
386.14645	2.0
386.19098	1.7
400.16718	2.0
403.15805	1.9
405.16034	1.3
420.16660	1.3
422.17712	2.1
432.19327	2.3
433.20300	1.5
434.18591	1.7
435.14200	2.1
437.19861	3.6
447.22449	2.5
450.16940	2.2
451.17676	3.4
460.18970	1.7
461.24084	1.8
462.24643	2.5
463.21353	3.9
464.18661	1.7
465.18845	14.9
473.21027	1.2
477.19202	1.9
479.20630	8.0
480.21628	4.3
481.22409	4.3
489.22806	1.7
491.20898	2.0
492.21719	3.6
493.22537	2.0
504.21548	2.1
507.23816	5.2
508.21121	1.6
517.22192	2.4
535.23328	8.9
541.24426	1.4
549.24890	18.6
567.25958	86.1
568.26392	1.8
577.24207	2.6
595.25458	100.0
596.26062	2.7
627.28076	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2803
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
65.03927	0.7
67.05481	1.3
69.07108	0.6
70.72388	1.9
79.05498	0.6
81.07060	0.8
89.46819	0.6
91.05470	1.7
93.07017	1.4
95.04969	0.6
106.02940	0.6
106.06548	0.6
115.62740	0.6
119.08598	0.6
131.07324	0.6
131.08614	0.9
136.07576	1.4
138.09105	0.9
144.08128	0.7
145.04141	0.6
145.79649	0.6
146.09665	0.9
148.07674	0.6
168.08055	0.7
172.07573	1.3
173.08376	0.7
174.09161	4.0
187.08678	0.9
187.12265	5.4
188.10742	2.7
190.05051	1.1
197.10796	1.3
198.09219	1.0
199.08652	0.7
199.12386	0.7
200.09380	0.7
211.08678	1.9
212.09485	0.7
213.10217	0.8
215.11781	2.8
223.08702	1.3
224.09386	1.0
225.10172	3.1
226.10828	0.7
227.11736	3.8
235.08722	1.6
237.10448	0.6
239.11803	2.8
240.12593	1.0
241.13390	2.6
243.11259	25.4
249.10326	1.4
251.11784	1.7
252.08978	1.4
253.09798	1.6
255.11296	0.7
263.11929	1.2
265.09634	1.2
267.11282	7.3
269.12927	2.1
275.11584	0.7
277.09708	1.5
277.13263	0.6
279.11200	0.7
281.13022	0.8
285.12427	2.8
286.13223	0.7
290.09763	0.7
291.11118	0.6
293.12955	0.7
295.10773	3.1
299.14160	1.3
301.12543	1.0
301.15543	3.9
309.12344	1.7
311.14053	0.7
313.12994	0.8
314.12930	2.3
315.13693	1.3
316.10828	1.4
316.14575	1.5
317.11502	1.2
319.10745	1.4
320.13776	1.4
325.15411	8.5
327.13358	6.4
328.10834	1.9
328.14575	1.9
329.11707	1.4
329.15292	0.8
330.12344	3.4
330.15866	0.9
334.15445	1.6
340.14648	0.8
341.11685	1.1
341.15765	0.7
342.12457	3.6
342.16092	1.2
343.13217	2.4
343.17160	0.8
344.13950	4.3
344.17606	1.1
345.14630	1.8
346.15497	2.1
348.13449	3.1
351.13412	0.6
354.12329	1.5
355.13187	1.0
356.13840	4.1
357.14771	1.9
358.15338	3.9
359.16095	0.6
360.17310	1.2
366.18207	0.9
368.14023	1.0
370.11584	1.0
370.15579	2.8
371.16394	1.1
372.17169	4.3
373.13803	0.8
374.14813	0.9
384.17206	1.3
386.15067	2.3
386.19177	1.2
387.15793	0.8
394.17773	0.6
398.14917	1.2
400.16446	3.3
403.15643	1.2
404.16504	1.1
405.17569	0.7
407.14929	1.3
412.16666	0.9
416.16080	1.2
418.17322	1.4
419.18628	1.0
420.16147	1.0
421.16916	1.8
422.17987	1.4
430.17880	1.3
431.18701	1.4
432.19449	3.8
433.20474	1.0
435.14307	2.0
435.19342	1.0
436.19803	1.4
437.19690	2.5
447.22742	2.9
448.15674	1.6
449.15717	1.7
449.20627	1.1
450.16040	1.1
450.21454	1.2
451.17773	2.5
452.22305	1.0
460.18741	2.0
461.23535	1.8
462.23981	3.1
463.22290	4.0
464.18231	1.1
465.18784	13.8
475.21268	0.9
476.19321	0.9
477.19449	2.2
478.19946	1.3
479.20685	7.2
480.21518	4.2
481.22318	3.5
489.22525	1.4
490.21152	1.8
491.20712	1.6
492.21463	2.7
493.22946	4.5
504.21698	3.0
506.23096	1.3
507.24130	5.4
508.21561	0.8
517.22382	1.8
520.21002	1.2
521.25012	0.9
535.23254	7.1
537.22101	1.0
539.26459	1.1
541.23773	1.0
549.24902	13.5
552.23889	1.3
553.24658	2.0
563.23108	1.0
567.25958	73.1
568.26495	2.0
577.24451	2.1
578.10596	0.6
595.25446	50.2
596.25476	1.8
599.28699	1.1
609.27417	1.4
627.28046	100.0
628.28375	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	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.8
54.23869	3.3
55.01865	20.9
55.05267	2.9
55.05508	31.4
56.70838	2.5
57.03423	9.0
65.03915	5.7
67.05499	73.7
69.03417	4.9
69.07060	34.3
71.04997	3.1
79.05483	64.6
81.03387	5.8
81.07047	95.5
83.04956	10.8
83.08604	7.7
85.06548	3.7
91.05473	70.1
91.29071	2.2
93.06467	4.6
93.07034	70.8
95.01295	5.2
95.04951	10.8
95.08604	60.7
97.02873	2.5
97.06525	37.3
97.10170	6.6
105.07021	67.5
107.04927	17.7
107.08590	30.5
109.06493	11.5
109.10131	18.0
111.08052	6.0
117.06999	20.6
119.08569	43.8
121.06473	3.2
121.10124	17.7
123.08073	6.2
123.11706	5.8
125.09628	5.1
125.61805	2.5
129.06956	2.7
131.08545	26.8
133.10117	36.9
135.08054	2.9
135.11676	13.0
137.09593	5.1
137.13297	2.6
143.08556	5.0
145.10095	21.0
147.03494	2.3
147.11650	21.7
149.09570	8.0
149.13240	10.7
151.11124	3.9
157.10089	3.7
159.11650	10.5
161.13206	5.7
163.11119	4.7
171.11659	4.2
173.13206	5.8
177.12686	3.7
179.14330	9.1
185.13251	3.3
187.11218	2.7
191.18105	2.4
203.14278	2.8
215.18039	2.9
219.17409	26.1
223.13284	3.9
229.19460	5.0
247.20454	6.9
257.18997	7.8
261.22198	5.5
275.20029	94.8
291.19452	17.7
293.21127	8.6
317.24863	3.3
335.25763	100.0
349.23700	21.3
601.65686	2.8
609.36121	4.2
609.45142	63.6
627.45990	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	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03936	6.9
55.01867	15.3
55.05506	35.6
57.03431	7.2
57.07063	3.7
59.05018	1.7
65.03933	4.4
67.05496	96.0
69.03434	4.6
69.07058	27.1
69.13275	1.4
69.44657	13.1
71.04357	1.7
71.04979	3.7
71.08620	1.5
75.04157	1.6
79.05486	67.5
81.03403	5.2
81.07051	100.0
83.04977	8.3
83.08607	13.7
84.79424	1.6
85.06538	3.7
89.53752	1.7
91.05470	52.0
93.07034	73.7
95.04948	13.3
95.08598	63.6
97.06518	20.1
97.10179	8.1
99.08070	4.2
103.05463	3.0
105.07022	50.0
107.04960	13.3
107.08589	46.9
109.06518	11.1
109.10145	27.9
111.08072	5.8
115.05453	2.8
117.07007	19.1
119.08567	36.2
119.09348	2.6
121.06506	4.0
121.10132	32.5
123.08065	4.5
123.11694	11.9
125.09629	6.2
128.06299	1.6
129.06984	7.1
131.08540	24.3
133.10126	27.0
135.08054	5.7
135.11671	15.7
137.09616	4.9
137.13199	2.1
139.11203	3.1
141.06992	3.2
143.08540	9.2
145.10114	29.4
147.08122	1.7
147.11679	26.7
149.09604	21.8
149.13283	8.3
151.11168	3.8
155.08612	3.7
157.10068	8.0
159.11676	19.1
161.13211	7.7
163.11145	10.8
163.14856	4.4
165.12761	5.3
169.10117	5.5
171.11688	7.2
173.09660	2.3
173.13234	13.3
175.14877	3.6
177.12776	2.3
181.10033	1.8
183.11673	4.4
185.13283	5.6
187.14778	3.8
189.11302	3.4
191.14336	2.1
197.13266	3.5
199.14821	4.8
201.16412	4.4
211.14923	4.0
213.16353	1.8
215.18022	2.0
227.12813	6.0
227.18126	2.4
229.19591	1.9
239.17989	4.9
241.19676	1.9
243.21132	2.6
247.20544	4.1
257.18924	8.0
259.20673	4.0
261.22223	4.7
267.15933	3.0
275.20035	53.1
277.21622	3.7
293.21121	8.2
299.23792	1.4
317.24844	2.0
325.25476	1.6
333.24094	2.1
335.25778	27.3
349.23764	23.3
515.37488	3.3
517.40656	2.5
529.38727	2.1
535.41364	5.5
553.42200	3.0
609.45074	31.5
610.46527	2.1
627.36743	3.9
627.46216	53.2
628.46771	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	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03927	5.7
54.78958	1.4
55.01866	15.9
55.05505	35.8
57.03427	6.0
57.07057	3.7
59.04984	1.3
63.98536	1.2
65.03926	3.8
67.05495	75.5
69.03413	3.6
69.07057	28.8
71.04971	4.6
71.08614	1.6
79.05483	72.7
81.03418	4.4
81.07047	100.0
83.04971	5.9
83.08611	15.5
85.06522	4.0
91.05467	50.8
93.07032	62.5
95.04961	15.7
95.08592	54.4
96.62904	1.6
97.06518	18.3
97.10151	6.6
99.08073	2.1
103.05463	2.2
105.04491	1.7
105.07019	49.2
107.04947	9.5
107.08578	41.0
109.06518	14.2
109.10139	23.2
111.08056	5.6
115.05419	2.4
117.07030	16.4
119.08565	38.7
121.06494	3.1
121.10126	29.9
123.08064	6.6
123.11694	13.1
125.09610	5.9
129.07014	7.5
131.08551	22.5
133.06485	1.5
133.10117	26.8
135.08029	4.9
135.11681	13.5
137.09572	5.4
137.13197	1.5
139.11169	1.5
140.89247	1.2
141.06987	2.4
143.08554	8.4
145.06400	1.9
145.10101	23.7
147.08072	1.4
147.11679	23.1
149.09610	18.1
149.13257	8.2
151.11098	3.5
155.08510	3.6
157.10143	9.7
159.11673	15.6
161.13278	8.1
163.11168	11.2
163.14748	3.2
165.12749	5.0
169.10117	5.2
171.11623	7.1
173.13205	11.3
173.27071	1.4
175.11182	2.3
175.14803	3.4
177.12764	3.5
178.68878	1.5
183.11665	5.1
185.13243	3.7
187.14807	6.2
189.11142	2.8
191.14291	1.8
193.12195	2.4
197.13258	3.7
199.14761	4.0
201.16435	1.9
209.13292	1.9
211.14781	2.6
215.17860	1.9
219.13747	1.5
227.12727	2.9
229.19531	4.9
239.17975	4.2
247.20483	2.6
257.18982	10.5
259.20398	2.4
261.22046	6.7
267.15930	2.9
273.18634	1.8
275.20035	58.8
277.21603	3.4
293.21085	5.8
315.23624	1.3
317.24622	2.2
333.24246	2.1
335.25763	37.7
343.14178	1.4
349.23651	21.8
351.25540	1.5
486.91336	1.4
515.37317	4.6
517.40002	3.3
529.31189	1.3
529.38745	4.5
535.41315	3.8
553.42377	4.7
609.36090	2.4
609.45129	35.6
627.46387	40.5
628.46521	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	629.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87542	0.5
55.01841	0.6
57.03412	0.7
65.03915	0.7
67.05482	1.7
68.99770	1.8
69.03407	0.9
71.30840	1.2
81.03394	1.0
81.07018	0.6
83.04972	4.4
85.02893	3.5
86.09682	1.2
93.03378	0.8
95.04949	1.1
96.17783	0.6
97.02859	1.0
109.02838	1.3
111.04435	5.4
119.04932	0.8
121.02845	0.9
123.04431	3.8
127.03910	2.1
137.05952	0.8
139.03883	100.0
140.04192	2.2
141.06956	0.8
147.04395	3.1
151.03874	6.9
163.03859	1.0
167.04770	1.3
169.04938	5.8
169.06470	2.3
171.04366	0.8
177.01825	1.3
179.04880	0.9
181.06390	0.9
183.25861	0.6
185.05937	4.3
195.04364	3.8
197.05948	7.7
201.05418	1.2
203.03444	1.0
205.02858	0.8
207.04372	0.7
208.08965	0.6
211.03748	0.9
213.05446	13.3
215.07033	1.9
220.05214	0.9
223.03864	4.4
225.05434	4.3
229.04948	1.7
233.04425	1.2
237.03210	0.7
237.05350	3.0
239.03400	1.7
240.04176	1.0
241.04922	30.3
242.05551	2.7
243.06555	5.9
251.03421	1.6
253.04930	32.3
254.05107	1.3
255.06494	0.8
257.04166	1.1
259.39398	0.7
265.04965	8.3
266.05679	9.5
267.06537	0.6
268.03748	0.8
269.04410	70.5
270.04782	3.2
271.05969	17.6
273.03827	0.8
279.06537	1.1
281.04416	37.7
282.04782	1.7
293.04477	1.0
294.05301	1.9
299.05450	7.7
303.06589	0.8
307.05951	1.4
345.07507	0.9
349.07080	1.1
355.05728	1.3
373.06958	1.7
391.08081	9.4
401.06500	2.0
409.09109	1.0
410.82098	0.7
415.19608	0.7
419.07574	31.1
420.08096	1.1
491.11725	9.2
508.75119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2244
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
58.51196	0.6
67.05487	2.0
69.33787	2.9
69.34225	3.3
77.42427	0.8
79.05489	0.7
81.07059	1.0
91.05490	0.7
93.07037	1.5
101.84297	0.7
105.06976	0.8
122.19691	0.6
135.11646	0.7
141.18967	0.6
147.56396	0.7
217.90431	0.7
221.41331	0.7
243.11319	0.8
244.11635	0.8
396.12241	1.6
397.12790	2.4
398.13892	1.0
399.14474	1.4
400.15088	1.0
410.13611	2.7
411.14484	8.3
412.15201	6.6
413.16153	4.7
423.14511	1.9
424.10876	1.6
424.15390	2.3
425.16257	15.8
426.16891	11.8
427.17477	3.6
428.18509	3.4
429.18988	0.8
437.16345	0.8
438.12497	3.7
439.13571	21.0
440.13495	1.7
440.19067	6.0
441.19247	39.7
442.19409	2.9
452.14481	3.9
453.15353	27.0
454.15524	6.3
456.18127	1.8
457.15115	1.3
457.34088	0.8
467.17099	26.2
468.17938	21.8
469.18768	11.0
470.19086	0.9
471.16785	1.0
480.17938	0.8
481.14493	10.1
482.15604	2.5
482.21964	0.8
483.16315	1.6
484.21634	4.0
485.18033	2.2
485.75381	0.9
495.17209	1.0
495.20215	1.2
496.17108	11.4
497.17276	1.7
498.18924	1.5
499.19333	0.9
500.20407	5.1
508.19641	1.1
509.07907	0.7
509.18069	1.2
512.20496	2.6
513.22009	5.7
514.21948	1.0
523.19537	1.7
525.19922	0.7
526.18628	1.5
527.19104	1.0
528.20032	1.1
531.22070	0.9
541.20813	46.5
542.20874	3.4
543.18341	0.8
569.20160	100.0
570.20441	8.2
572.18750	1.0
573.23523	3.9
597.19427	29.9
598.20020	2.6
600.21954	1.9
601.22803	13.6
615.20911	1.4
615.99408	0.8
629.21930	70.0
630.22540	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	630.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39663	0.5
56.04995	0.6
57.07064	6.1
57.19917	0.5
58.06587	1.5
60.46917	0.5
65.03926	0.9
67.05518	0.5
70.06581	18.4
71.08614	1.2
71.53849	0.8
74.06064	0.7
85.10178	1.0
88.07619	21.9
88.64175	0.5
102.09168	14.8
107.08605	0.5
125.00900	0.5
139.03885	0.8
147.04356	0.7
149.02322	33.8
149.03259	1.6
155.76437	0.5
175.03941	0.9
184.20584	0.6
193.04936	42.5
194.05571	0.7
196.41821	0.5
219.06494	1.1
225.05490	0.9
228.23193	49.8
237.07541	12.5
269.04471	1.8
272.25800	1.1
279.43994	0.5
297.04080	2.2
313.07040	2.1
315.50620	0.6
341.06470	9.9
343.08215	0.8
356.28351	0.5
359.07504	5.8
385.09116	18.3
429.11768	31.0
448.15030	0.6
612.31653	2.0
630.32629	100.0
631.32544	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	633.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74327	0.3
57.03414	0.4
70.06559	0.4
71.04996	1.9
71.53542	0.4
72.54823	0.4
85.02903	2.5
92.78294	0.4
98.90710	0.4
107.04941	0.6
113.91540	0.3
147.04399	0.7
185.04254	1.0
187.05730	0.9
238.37868	0.4
303.04797	0.8
322.09912	0.4
324.02399	4.4
325.03168	1.1
326.06686	0.8
331.09946	16.0
332.10208	0.5
354.15491	0.4
361.04138	2.9
379.05121	1.1
381.01077	0.7
399.01694	0.5
403.04956	0.9
487.08069	1.1
633.14154	100.0
634.14563	6.0
654.09906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3986
Annotation	Rubuside F
Peak:m/z	Relative Intensity
53.03924	3.7
55.01860	5.8
55.05254	2.0
55.05507	21.0
57.03418	6.3
57.07051	2.1
59.04988	5.0
65.03921	4.4
67.05495	100.0
68.05865	1.8
69.03422	37.1
69.07056	13.9
69.64798	9.3
71.04969	5.4
79.05485	33.6
81.03407	25.7
81.06567	2.5
81.07046	49.3
83.04966	8.2
83.08605	10.6
85.02895	3.2
85.06534	2.4
87.04479	1.7
91.05470	30.9
93.07033	33.7
95.04971	10.9
95.08593	33.2
96.96098	1.6
97.02860	4.4
97.06512	5.4
97.10157	6.7
99.04421	3.4
105.04521	1.6
105.07024	22.4
107.04922	5.0
107.08579	22.2
109.02833	4.0
109.06516	6.2
109.10138	57.7
111.04408	7.2
111.08060	4.9
115.05399	4.2
117.07006	16.0
119.04910	2.1
119.08559	25.5
121.06495	5.4
121.10136	14.6
123.08035	3.8
123.11656	2.4
125.09617	7.0
127.03891	3.6
128.06213	3.1
129.06967	9.2
131.04909	1.9
131.08568	16.8
133.06462	3.2
133.10117	12.3
135.08044	3.6
135.11668	10.6
137.09595	4.2
140.14653	1.6
141.07013	4.2
142.07767	3.4
143.08531	6.2
145.06454	4.8
145.10085	14.4
147.07999	4.9
147.11662	9.7
149.09621	3.7
149.13255	3.8
155.08562	4.8
155.10634	4.0
157.10136	7.5
159.08031	1.9
159.11665	11.7
161.09579	4.8
161.13231	5.3
163.11186	3.5
165.12704	2.2
167.08569	2.4
169.10083	6.1
171.08125	2.5
171.11659	7.3
173.09523	3.7
173.10260	1.7
173.11719	17.9
173.13245	7.2
175.11264	2.2
175.14844	2.0
177.08987	2.2
183.08107	1.6
183.11697	4.0
185.09517	1.8
185.13214	5.2
187.11122	2.0
187.14792	3.0
189.11206	3.4
189.12750	2.0
197.13280	3.6
201.12650	2.7
214.00026	1.8
227.12587	2.1
229.14302	17.5
237.16524	1.8
259.20557	2.7
261.22034	2.9
271.20435	2.3
277.21542	2.4
289.21567	3.9
299.14825	3.7
301.21622	6.1
315.23114	1.8
319.22574	2.7
341.24805	2.9
345.24332	2.0
351.23135	6.3
353.24753	2.3
369.24176	10.3
387.25275	5.5
443.27466	4.5
461.28809	7.2
597.37341	5.8
615.39050	11.0
633.39911	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91585	1.7
53.03930	8.0
54.84890	1.9
55.01862	4.1
55.05499	18.1
57.03428	6.0
57.07058	2.9
59.04983	4.8
65.03928	5.3
65.46613	1.8
67.05496	100.0
69.03418	32.3
69.07059	12.4
71.04983	5.5
71.57370	2.4
71.57732	2.4
79.05481	31.8
81.03396	21.9
81.07045	46.1
83.04965	8.9
83.08609	14.2
84.77816	2.0
85.02883	4.8
85.06540	4.1
91.05469	34.0
93.07027	36.6
95.04951	12.8
95.08591	25.3
97.02879	5.3
97.06515	4.0
97.10136	7.3
99.04463	4.0
105.07018	26.6
107.04940	3.7
107.08575	18.1
109.02850	5.2
109.06507	6.0
109.09430	3.8
109.10146	50.4
110.65438	1.8
111.04427	6.6
111.08058	7.7
115.05447	4.1
117.07014	17.7
117.52670	1.9
119.08572	22.1
121.06496	6.2
121.10123	11.8
123.08056	2.5
123.11713	2.7
125.06065	2.0
125.09662	5.2
127.03955	3.7
128.06232	2.7
129.06984	10.8
131.04922	2.6
131.08534	18.9
133.06488	2.6
133.10117	16.5
135.08026	5.6
135.11671	9.2
137.09605	6.5
139.11133	3.3
141.07008	2.6
142.07748	3.0
143.08536	9.4
145.06442	3.7
145.10118	15.2
147.08057	4.2
147.11671	8.1
149.09622	3.3
149.13232	3.8
151.07410	2.1
155.08514	3.4
155.10660	3.3
157.10126	11.9
159.11662	10.2
161.09610	4.0
161.13266	6.8
163.07390	2.1
163.11185	5.5
163.29718	2.1
169.10152	3.9
170.22255	2.3
171.11685	5.0
173.09601	2.9
173.11719	15.3
173.13239	5.7
175.11197	3.1
177.12660	2.6
181.10155	3.4
183.11673	6.6
185.09578	3.1
185.13196	6.1
188.11234	1.9
189.11235	3.6
195.11722	3.4
197.13333	3.4
199.14827	2.5
203.14220	2.5
207.11803	2.2
211.11163	2.3
211.14775	2.1
221.15347	3.2
225.12819	2.2
229.14328	18.4
243.21303	2.0
245.13698	2.6
249.24197	1.8
273.22116	2.4
285.21939	2.4
301.21564	6.6
327.23248	3.7
331.22198	2.1
335.26053	2.4
341.24860	3.6
351.23166	7.4
355.17590	2.1
369.24094	12.4
387.25134	5.6
443.27631	3.3
461.28763	5.4
489.35565	3.1
497.14767	2.2
585.36847	2.2
597.37836	9.4
615.38635	9.7
633.39929	43.1
634.40271	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	633.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03938	4.4
55.01859	4.3
55.05503	20.9
55.37687	0.7
57.03428	5.2
57.07058	3.0
59.04985	3.1
62.39449	0.7
62.73053	0.7
65.03933	4.4
66.04672	0.7
67.05494	100.0
69.03418	36.9
69.07056	13.8
71.01347	1.4
71.04970	5.7
79.05481	32.7
81.03407	24.6
81.07043	44.4
82.07401	0.8
83.04969	8.7
83.08611	10.3
85.02898	4.4
85.06521	2.5
91.04878	1.3
91.05466	30.8
93.07032	32.4
95.04958	11.9
95.08593	26.6
97.02875	4.4
97.06503	5.1
97.10168	6.1
99.04446	2.5
99.08057	1.4
103.03956	0.8
103.05467	1.0
105.04522	1.1
105.06473	0.7
105.07014	23.6
107.04935	4.5
107.08579	19.5
109.02847	5.8
109.06539	5.3
109.10139	55.2
111.04410	6.0
111.08067	4.5
113.05972	0.9
115.05428	2.1
117.07007	12.5
119.04942	1.1
119.08563	22.5
121.06502	3.5
121.10130	14.5
123.04492	1.1
123.08050	3.3
123.11700	2.2
125.09616	5.6
127.03900	4.0
128.06230	2.8
129.05486	1.3
129.06975	9.7
130.19905	0.7
130.25099	0.7
131.08546	17.6
133.06480	2.6
133.10117	11.5
135.08054	4.6
135.11665	7.2
137.05959	0.9
137.09616	5.6
139.11203	1.8
141.06970	3.3
142.07800	2.2
143.08554	7.2
145.06496	3.0
145.10101	12.1
147.08029	2.9
147.11664	9.1
149.09566	2.5
149.13202	4.5
151.07515	1.6
151.11235	1.5
153.07106	0.9
153.09082	1.1
155.08516	3.7
155.10674	2.2
157.06487	1.6
157.10112	6.3
159.08067	2.5
159.11652	9.5
161.09612	3.0
161.13237	4.0
163.07570	0.9
163.11180	2.3
163.14787	1.2
167.08578	1.4
169.10147	2.4
171.08095	1.6
171.11641	5.1
173.09578	2.4
173.11728	15.6
173.13266	5.7
175.11176	2.9
175.14798	1.7
177.12755	1.8
179.14313	0.9
181.10098	1.8
183.06396	1.0
183.08029	1.5
183.11613	3.8
185.09665	1.6
185.13234	4.2
187.11183	1.5
187.14809	2.8
189.11188	4.0
189.12709	1.3
191.10634	1.2
195.11717	1.8
197.09575	0.9
197.13269	3.2
199.11246	1.5
199.14839	1.7
201.12610	1.2
203.14279	0.9
209.13277	2.3
211.11172	0.8
211.14835	2.1
213.12811	1.2
215.14301	0.9
223.14874	1.8
225.12648	0.9
227.12799	2.6
227.17744	1.1
229.12080	1.4
229.14272	16.9
233.15396	1.0
241.15921	1.0
245.13644	1.6
251.18260	1.1
253.16068	0.9
259.20590	2.6
261.22031	2.1
273.22006	1.9
277.21664	3.7
283.20596	1.8
289.21579	1.6
299.14902	2.2
301.21576	7.4
303.23145	1.6
309.22198	1.2
313.21661	1.2
315.23248	1.7
319.22696	2.5
323.23608	1.8
325.21555	0.9
326.83536	0.9
327.23206	2.6
331.22745	1.4
339.23212	1.3
341.24686	3.3
345.24261	1.8
351.23001	4.9
353.24915	1.5
355.17389	2.4
357.24271	1.5
359.25989	1.4
369.24213	10.8
370.24509	1.0
371.26074	1.3
375.25412	1.4
387.25186	6.3
393.26242	1.1
405.26453	2.4
443.27646	4.0
461.29205	5.9
487.34048	0.8
489.35703	2.2
547.36572	1.0
557.36523	1.0
560.57709	0.9
573.37341	1.1
597.37592	5.4
615.38770	9.2
627.40662	0.7
633.39807	40.3
634.40332	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2856
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
54.80764	0.7
70.13117	1.3
70.13511	1.7
89.14288	0.7
112.01517	0.8
121.54093	0.8
131.66624	0.7
305.31229	0.7
308.78772	0.9
368.73383	0.8
403.19116	1.8
404.20618	1.0
417.20956	2.8
418.21796	1.3
429.21353	1.2
430.17511	1.5
431.18686	4.0
433.23953	1.7
445.19986	4.3
446.20956	1.3
447.21991	1.1
459.22122	2.9
460.22589	3.2
461.23511	3.3
473.19690	1.4
475.21219	1.1
488.22119	3.1
489.22699	5.8
501.23050	1.5
515.24475	1.2
547.27252	8.1
575.26459	18.8
603.25787	1.0
607.28931	1.7
635.28534	100.0
636.28784	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	635.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	17.8
55.01859	8.7
55.05510	38.0
57.03422	14.0
67.05491	85.9
67.17784	5.6
68.48927	5.4
69.03407	29.9
69.07041	24.5
71.04974	9.1
71.53919	7.9
71.54288	6.3
79.05476	81.5
81.03403	100.0
81.07047	69.1
83.04967	27.4
83.08595	24.0
85.02885	22.3
91.05460	94.9
93.07025	80.7
95.04959	42.1
95.08591	37.3
97.02861	25.1
97.06521	5.8
97.10162	8.3
105.07009	54.3
107.04932	17.7
107.08562	38.9
109.02840	23.7
109.06480	15.2
109.10116	23.1
111.04404	18.2
111.08084	12.4
115.05387	8.5
117.06994	19.8
119.08572	44.2
121.06454	12.7
121.10152	13.1
123.04410	7.6
123.08021	9.0
127.03859	11.3
128.06209	6.1
129.07001	28.0
131.04950	5.7
131.08548	28.3
133.06470	16.3
133.10094	20.4
135.11671	15.1
143.08534	14.9
145.06448	7.7
145.10075	19.8
147.08000	8.8
147.11652	43.2
149.09590	10.0
153.12648	6.5
157.06461	9.3
157.10030	14.2
159.08009	7.4
159.11613	9.5
161.09621	9.9
161.13246	10.7
163.11145	11.2
171.11649	24.3
173.04428	10.5
173.05861	6.6
175.11107	13.2
187.11142	6.5
189.12659	10.5
193.12221	23.1
207.13797	24.1
211.13200	28.8
227.12755	9.0
229.14415	7.4
267.15765	13.3
281.17300	27.1
283.15491	12.6
284.15622	6.1
337.16370	6.9
355.17310	8.0
358.87244	5.3
411.20108	8.3
437.25006	6.2
438.25745	10.6
455.17679	5.8
473.29181	27.7
491.29721	8.0
617.32410	9.9
635.34180	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.2
52.12904	1.6
53.03942	13.5
54.04964	1.8
54.95353	1.6
55.01866	9.0
55.05508	26.2
56.00124	1.7
57.03435	10.5
65.03937	4.5
67.05499	57.6
69.03136	1.5
69.03432	17.6
69.07059	13.1
69.58928	2.7
69.59254	12.9
69.75980	1.6
71.04996	8.8
73.02892	1.8
73.06554	2.2
79.05486	75.3
81.03410	100.0
81.07047	55.5
83.04974	22.2
83.08619	17.0
85.02897	17.3
85.06524	3.9
91.05472	66.8
93.07034	54.8
95.04964	35.8
95.08593	24.1
97.02872	21.4
97.06514	7.9
97.10151	8.0
98.21379	3.4
99.04455	6.5
103.05415	2.2
105.07017	44.7
107.04964	15.0
107.08582	20.0
109.02879	16.5
109.06503	9.2
109.10155	6.4
111.04425	16.6
111.08077	8.5
113.05977	2.1
115.05442	5.0
117.07005	12.7
119.08570	30.5
121.06454	4.9
121.10108	10.5
123.04464	3.0
123.08020	8.5
123.11732	2.4
125.09587	2.9
127.03902	10.3
127.07654	1.9
128.06189	4.5
129.06978	24.6
131.08517	16.5
133.06477	3.3
133.10136	14.7
135.08054	4.2
135.11710	5.1
141.06973	3.3
142.07800	2.4
143.08556	7.9
145.06503	4.3
145.10098	10.9
146.70746	1.7
147.07990	6.3
147.11667	31.5
147.12776	2.3
149.05969	1.7
149.09639	6.5
149.13246	2.1
153.12733	4.1
157.10115	7.3
159.08023	2.5
159.11673	2.3
161.09584	2.6
161.13216	9.5
163.11162	5.4
165.12698	3.4
171.07996	2.7
171.11687	15.7
173.04463	3.2
173.09554	2.3
175.11191	8.9
179.14180	2.2
181.12265	5.2
183.11760	2.0
184.30383	1.6
187.11214	2.1
189.12708	8.6
191.10652	5.1
193.12210	29.3
195.11685	1.8
201.12561	2.5
207.13783	23.4
211.13246	43.3
227.12791	5.6
256.53497	1.9
267.15878	8.3
269.15262	3.2
279.15829	2.1
281.17465	17.9
283.15570	2.2
287.16333	4.4
301.14365	3.4
337.16394	3.7
355.17532	5.4
411.20169	5.5
473.28937	9.9
491.30090	10.9
519.94489	1.9
571.32593	2.6
617.33258	5.3
631.25519	1.9
635.34113	83.7
636.34839	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	636.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01849	3.3
55.05498	15.3
57.03433	10.3
58.62300	1.3
59.04989	3.1
61.02912	4.7
65.03938	1.4
67.05495	66.6
69.03419	6.7
69.03722	1.2
69.07049	5.6
71.04982	6.1
73.02903	2.4
79.05485	16.9
81.03403	45.0
81.07047	25.5
83.04976	11.6
83.08608	16.6
85.02897	16.8
85.06520	2.0
86.85001	1.3
91.03947	1.2
91.05474	22.1
93.07035	15.1
95.04951	17.5
95.08593	11.0
97.02889	7.2
97.06518	2.7
97.10169	2.1
99.04515	1.4
105.07018	15.7
107.04941	6.1
107.08584	6.2
107.75414	1.2
108.35880	1.2
109.02884	2.5
109.06528	4.4
109.10142	61.0
111.04427	3.4
111.08072	10.6
113.06020	1.3
115.05511	1.5
117.07013	3.6
119.08576	13.9
121.06461	1.7
121.10127	6.2
123.08053	1.2
123.11669	2.4
125.09631	2.7
125.79900	1.2
127.03888	1.8
129.07016	6.3
131.08548	6.8
133.06502	3.4
133.09235	1.2
133.10094	7.5
135.11659	1.6
137.09599	2.9
145.10095	3.3
147.08049	2.3
147.11668	9.6
149.09602	3.4
155.10619	2.5
157.10107	7.5
163.11154	1.7
165.12773	2.5
173.11729	15.2
175.11195	9.6
187.11221	1.5
193.12198	24.9
211.13246	37.6
227.12791	2.4
229.14322	61.8
267.15884	12.3
285.16901	29.5
286.17307	2.0
317.24573	1.3
335.25845	2.3
388.59521	1.4
403.24591	2.7
421.25778	15.6
439.26846	100.0
440.27484	3.0
475.26782	1.6
583.30219	1.6
609.29858	1.2
637.31903	4.5
643.13367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96677	0.5
53.54632	0.5
57.03410	1.0
57.06782	0.9
57.07067	17.0
67.05494	19.7
69.06711	0.8
69.07057	8.3
69.29869	5.9
71.04982	3.0
71.08620	11.9
77.13786	0.6
79.05488	3.1
81.07044	31.3
83.08599	4.7
85.06542	4.8
85.10161	6.3
91.05459	1.9
93.07056	2.4
95.08590	33.2
97.06523	0.9
97.10143	2.6
98.20759	1.2
98.98411	0.6
99.08073	0.8
105.07014	2.2
107.08617	1.0
109.10153	4.1
119.08565	2.1
121.10184	1.6
123.11682	2.7
124.01524	0.7
126.22224	0.6
131.94354	0.6
137.13242	1.9
147.11693	4.0
151.14825	0.7
165.12732	2.8
183.13777	1.3
201.14725	1.6
208.16924	7.2
226.18007	5.7
239.23741	2.2
257.17426	1.6
271.37653	0.6
282.27832	2.0
292.14703	0.6
306.14557	2.1
313.27289	3.1
324.15759	1.2
362.17163	2.3
380.18317	5.0
495.40372	100.0
496.40540	2.7
550.08392	0.8
618.41180	10.4
637.26361	1.8
641.16205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02156	1.1
63.53862	1.0
67.05488	1.8
69.50156	5.3
69.50588	2.7
79.05505	0.8
81.07037	1.9
91.05475	2.1
93.07049	1.1
95.08608	2.0
98.21545	1.8
105.07035	1.3
120.62915	0.9
199.79819	1.0
223.12532	0.9
294.09747	0.9
323.51608	0.9
363.16177	1.2
375.16937	1.5
376.16965	1.0
377.17438	2.2
378.18195	2.2
385.14557	1.2
386.16080	1.1
389.17828	1.6
390.18530	1.7
391.19122	5.0
392.19882	3.2
393.20532	4.9
399.16226	2.4
400.16901	3.6
401.17627	4.2
402.18588	1.1
403.19519	1.2
405.20819	2.9
407.22327	7.4
408.22528	1.2
413.17581	2.8
414.18393	4.3
415.19388	7.8
416.19873	2.2
417.20978	2.1
419.18524	1.7
419.23242	1.3
420.19745	1.3
421.20132	6.6
425.17670	1.2
427.19595	2.1
428.20251	1.9
429.21497	7.5
430.21722	2.2
431.18607	2.6
433.20724	1.7
435.21457	5.5
439.18909	1.5
441.17166	1.8
442.18011	1.4
443.17557	1.7
443.22437	4.2
444.18628	5.9
445.20169	2.8
446.21146	1.0
447.17905	2.7
456.19598	2.0
457.20709	5.2
458.20963	4.3
459.18314	3.2
461.19266	2.8
462.20242	1.1
463.20987	2.1
470.16098	1.3
471.22574	4.9
472.23520	4.3
473.19272	5.8
474.20230	2.7
475.17365	1.1
475.21472	1.6
476.18533	1.8
484.18970	1.6
485.19449	7.0
486.20270	5.9
487.21146	3.4
488.22070	1.8
489.18805	2.9
489.23523	2.9
490.19717	5.8
491.20380	1.8
499.21384	11.5
500.21869	3.4
503.20981	1.3
503.24680	1.7
513.19110	8.1
514.19873	1.3
516.21667	2.6
517.22369	17.4
518.22742	1.5
519.20239	2.2
521.25507	2.7
527.20496	2.2
528.21320	2.0
529.22858	1.3
531.24420	12.4
532.24194	1.3
543.24005	1.4
544.20245	1.1
545.21521	1.3
549.24744	6.9
559.23322	77.3
560.23529	3.2
577.24316	3.4
587.22870	15.7
591.25769	6.2
605.24023	7.2
609.26654	1.6
619.25391	74.9
620.25824	2.8
637.26422	100.0
637.41205	3.2
638.26660	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	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02489	0.3
63.78975	0.5
67.05460	0.5
79.05412	0.4
80.77756	0.4
81.06996	0.8
89.96574	0.3
91.05420	0.6
93.07005	0.5
94.64647	0.4
95.08567	0.8
119.08575	0.4
135.05960	0.4
161.25716	0.4
177.87759	0.4
221.10765	0.7
223.12241	0.4
249.10237	0.5
251.11594	0.4
277.12082	0.5
374.16296	0.6
375.16556	0.5
376.17566	0.5
377.17661	1.1
378.18457	0.9
385.14288	0.5
386.15613	1.1
387.16241	0.5
388.17703	0.9
389.18167	0.7
391.19107	1.6
392.20050	1.7
393.20816	3.2
396.14563	0.4
398.15781	0.8
399.16272	3.1
400.16791	3.2
401.17715	3.4
402.18320	0.7
403.19559	0.7
405.16333	0.6
405.21002	0.8
407.22354	2.9
411.16202	0.5
412.17282	0.7
413.17935	3.2
414.18591	4.9
415.19342	9.0
416.20288	0.9
417.16382	0.5
417.21152	0.9
418.18402	0.6
419.18155	0.8
421.20151	3.0
425.17856	0.9
427.19913	2.0
428.20331	3.3
429.15762	0.6
429.21231	9.3
430.22070	2.6
431.18347	1.1
433.20514	0.8
435.21646	2.2
439.19098	0.6
441.16913	1.8
442.17307	1.9
443.18140	3.2
443.22495	4.3
444.18698	5.1
445.19858	2.8
447.17511	0.8
448.18884	0.6
455.18848	1.0
456.19858	1.8
457.20471	5.5
458.21286	4.5
459.22427	0.5
462.19421	0.7
463.21313	0.7
469.16467	0.7
470.17493	1.2
471.22232	7.9
472.23260	5.5
473.19543	4.9
474.20462	1.7
475.16779	0.5
476.18042	0.8
484.18808	0.9
485.19666	2.9
486.20380	7.1
487.21313	3.3
488.22272	1.1
489.22787	1.2
490.19623	3.2
491.20761	1.0
499.21298	10.6
500.22446	3.4
501.19388	0.5
501.22684	0.5
502.19876	0.8
503.24759	4.0
504.21252	0.6
513.19183	1.3
514.19867	0.9
516.21307	1.4
517.22211	4.5
521.25122	0.7
527.20776	2.4
528.21576	1.8
531.23877	13.2
532.24457	0.5
541.22455	0.7
543.23633	0.8
544.20856	0.8
545.21844	0.9
549.24689	0.6
559.23340	99.6
560.23621	5.2
587.22791	16.9
588.23273	0.7
605.24469	0.9
619.25427	100.0
620.25653	5.9
637.26483	11.6
637.40814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55688	12.6
69.56102	5.4
80.38869	2.0
253.35249	2.2
415.19159	2.4
419.23227	3.1
429.20807	4.1
458.24792	5.2
459.21783	6.4
460.22632	2.7
472.22485	5.8
476.21951	6.1
485.23639	12.7
486.24594	3.2
500.21994	3.0
502.24280	2.2
503.24277	16.4
513.23279	4.5
514.23627	2.5
517.25726	10.4
535.26953	23.3
539.54211	3.0
545.25439	74.2
546.25696	5.2
563.26544	3.8
573.25055	17.4
595.46265	2.1
605.27502	65.7
606.27850	3.0
637.30121	100.0
638.30493	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	637.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
55.01867	10.9
55.05503	26.0
57.03428	9.2
57.07069	1.5
59.04978	2.4
61.02909	1.3
65.03920	2.2
67.05497	39.0
69.03074	1.5
69.03423	20.0
69.07056	9.5
70.93021	1.8
71.01361	2.2
71.04986	12.2
73.02902	1.8
79.05484	35.9
81.03409	100.0
81.07045	38.9
83.01323	3.1
83.04968	24.2
83.08607	18.9
83.52953	1.1
85.02898	18.9
85.06539	3.7
87.04445	1.1
91.05470	33.9
93.06470	1.9
93.07035	33.3
95.01286	1.2
95.04961	28.6
95.08601	13.5
96.38297	1.1
97.02883	17.9
97.06509	8.1
97.10152	7.8
99.04438	9.1
99.08064	1.4
103.03960	1.2
103.05444	1.1
105.07013	23.8
107.04944	11.5
107.08582	17.7
109.02866	24.4
109.06512	8.1
109.10157	7.4
111.04428	16.6
111.08057	7.6
113.06007	2.0
115.05449	2.3
117.07023	10.7
119.04919	2.1
119.08569	16.3
121.06487	4.8
121.10100	10.5
123.04417	3.7
123.08047	5.9
123.11697	2.8
125.05942	1.7
125.09629	7.4
127.03890	14.2
128.06219	1.3
129.06996	9.4
131.04893	2.2
131.08582	9.7
133.06487	3.0
133.10117	11.5
135.04349	1.3
135.08052	5.2
135.11687	11.8
137.05927	2.0
137.09616	2.5
142.00517	1.2
142.07750	2.0
143.08516	3.4
145.05003	1.1
145.06450	1.9
145.10109	14.4
147.04390	2.7
147.08035	3.4
147.11661	11.0
149.05992	2.1
149.09630	6.5
149.13269	2.4
151.11223	1.8
153.07007	1.5
153.09097	1.5
153.12735	8.4
155.08542	1.4
157.06490	1.9
157.10095	8.4
159.08070	1.5
159.11682	2.0
161.06023	1.8
161.09589	1.9
163.11171	23.2
165.05463	2.3
165.09062	1.6
165.12752	4.3
167.03355	1.1
167.06984	2.4
169.10139	1.1
173.04445	4.0
173.05853	2.0
173.09608	4.0
173.11772	1.6
173.13152	1.2
175.11192	9.0
177.12701	1.3
181.12239	9.4
189.08957	1.3
189.11208	4.2
189.12721	1.4
191.10686	8.6
193.12231	31.2
197.04137	1.3
209.11702	8.2
211.13261	43.3
227.12749	19.1
229.14343	2.2
231.13773	1.6
235.13167	1.2
247.13380	1.4
249.14928	2.8
255.06239	1.1
259.13043	1.6
267.15915	9.5
271.13196	1.4
273.14713	2.4
283.15408	13.2
285.16882	2.5
285.57437	1.1
289.14307	3.6
301.14032	2.2
319.15457	2.0
337.16306	3.1
351.14395	1.7
353.15964	6.0
355.17520	6.3
383.22104	3.9
393.19012	2.3
395.20358	1.2
401.23245	1.8
409.18533	2.1
411.20071	4.8
425.17749	1.3
425.22949	1.3
427.19519	2.4
440.26987	1.6
457.25729	2.7
475.26785	10.9
493.27838	11.5
517.28198	1.2
517.36890	1.3
545.27606	1.5
583.28973	1.6
601.29871	1.9
619.30908	6.8
637.32068	63.9
638.32471	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	637.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.5
55.01863	13.0
55.05505	27.4
57.03429	18.4
67.05501	99.6
69.03423	24.8
69.07058	26.1
70.96512	12.7
71.04984	8.4
79.05481	87.4
81.03413	60.5
81.07048	99.3
83.04979	32.2
83.08143	5.1
83.08597	24.7
85.02895	20.4
85.06534	8.5
91.05471	70.5
93.07037	100.0
95.04951	32.5
95.08594	48.5
95.70858	4.6
97.02903	11.0
97.06504	14.3
97.10173	7.2
99.04447	5.9
100.27065	4.5
105.07005	47.0
107.04913	22.8
107.08588	38.0
109.02862	13.9
109.06512	14.4
109.10157	9.4
111.04389	7.4
111.08088	9.5
117.06997	22.8
119.04901	5.1
119.08576	26.3
121.06481	7.0
121.10151	22.5
123.08070	8.0
127.03924	12.7
128.06215	10.6
129.05414	8.2
129.06987	22.7
131.08560	20.7
133.06470	8.2
133.10141	13.1
135.08031	5.9
135.11705	13.3
141.06949	5.6
143.08568	12.7
145.10118	14.0
147.08098	5.7
147.11696	22.5
149.13275	23.6
159.08081	6.6
159.11685	18.1
161.09596	9.0
161.13228	12.4
171.07990	6.9
171.11694	14.4
177.12720	6.4
185.09587	4.6
189.12787	10.1
191.10751	5.2
195.13708	8.1
207.13734	27.7
241.15875	7.4
249.14801	4.7
267.15921	8.3
269.15186	5.7
269.17572	37.7
281.17416	38.7
287.16455	13.6
413.21478	10.7
425.21478	7.1
457.15335	4.7
475.30582	97.5
601.80872	5.1
619.34375	18.2
637.30713	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	637.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.5
55.01863	13.0
55.05505	27.4
57.03429	18.4
67.05501	99.6
69.03423	24.8
69.07058	26.1
70.96512	12.7
71.04984	8.4
79.05481	87.4
81.03413	60.5
81.07048	99.3
83.04979	32.2
83.08143	5.1
83.08597	24.7
85.02895	20.4
85.06534	8.5
91.05471	70.5
93.07037	100.0
95.04951	32.5
95.08594	48.5
95.70858	4.6
97.02903	11.0
97.06504	14.3
97.10173	7.2
99.04447	5.9
100.27065	4.5
105.07005	47.0
107.04913	22.8
107.08588	38.0
109.02862	13.9
109.06512	14.4
109.10157	9.4
111.04389	7.4
111.08088	9.5
117.06997	22.8
119.04901	5.1
119.08576	26.3
121.06481	7.0
121.10151	22.5
123.08070	8.0
127.03924	12.7
128.06215	10.6
129.05414	8.2
129.06987	22.7
131.08560	20.7
133.06470	8.2
133.10141	13.1
135.08031	5.9
135.11705	13.3
141.06949	5.6
143.08568	12.7
145.10118	14.0
147.08098	5.7
147.11696	22.5
149.13275	23.6
159.08081	6.6
159.11685	18.1
161.09596	9.0
161.13228	12.4
171.07990	6.9
171.11694	14.4
177.12720	6.4
185.09587	4.6
189.12787	10.1
191.10751	5.2
195.13708	8.1
207.13734	27.7
241.15875	7.4
249.14801	4.7
267.15921	8.3
269.15186	5.7
269.17572	37.7
281.17416	38.7
287.16455	13.6
413.21478	10.7
425.21478	7.1
457.15335	4.7
475.30582	97.5
601.80872	5.1
619.34375	18.2
637.30713	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	638.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01878	0.5
55.05504	14.4
57.03437	1.1
57.07069	16.2
67.05495	9.0
69.07063	16.8
69.36047	4.9
70.36295	0.5
71.04974	1.8
71.08629	12.7
73.06573	0.7
79.05479	2.9
81.07048	12.9
83.04968	1.1
83.08611	16.9
85.06539	1.7
85.10172	7.4
91.05463	1.1
93.07030	7.4
95.08595	11.2
95.09535	0.5
97.06540	3.8
97.10159	4.9
97.96555	0.5
98.98450	1.2
101.06041	0.9
107.08577	5.8
109.10147	7.0
111.08065	2.7
111.11736	0.7
121.10123	2.5
123.11698	2.0
125.09601	0.8
149.13248	8.0
151.14821	0.6
155.01013	1.4
160.98941	0.6
167.14278	5.4
185.15370	2.3
210.18524	0.5
228.19630	4.1
239.23692	3.3
241.17958	16.5
242.18266	0.6
258.44058	0.5
259.19025	2.0
266.10446	0.4
282.27969	1.4
313.27310	4.1
436.27597	0.6
468.72125	0.6
497.41956	100.0
498.42346	2.7
560.23676	2.3
620.25751	1.8
621.26691	0.5
638.26813	2.2
638.42615	0.7
645.39825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57960	0.6
58.30149	0.6
68.25609	0.6
69.28171	0.6
69.28741	6.2
69.29060	1.1
72.52482	0.6
85.02840	0.8
88.05423	0.6
92.88833	0.6
97.02851	1.0
98.21576	0.8
112.89552	0.9
143.01869	0.8
153.00943	0.9
155.01859	3.5
161.02907	1.4
162.99290	0.9
173.02953	5.9
177.00807	1.0
179.50436	0.6
181.79739	0.7
185.02840	1.2
186.99280	0.7
189.00926	0.7
201.00854	1.7
203.02417	2.1
205.00383	1.0
213.00056	3.2
215.02370	1.5
219.01950	4.2
225.00880	0.8
227.02403	5.3
229.04025	0.7
231.01535	2.7
235.02928	0.9
239.02353	1.3
240.28635	0.7
241.03908	1.2
243.01962	3.8
245.03188	6.7
246.03761	0.9
247.01506	0.7
251.02486	2.2
252.02576	0.7
253.04112	6.9
255.01962	5.0
257.03409	2.1
259.01526	1.0
261.03018	2.5
263.02414	1.2
265.04184	0.7
267.02023	6.6
267.04691	1.1
269.03546	8.9
270.03415	1.2
271.05075	2.9
273.02966	2.6
275.02408	1.1
279.03973	2.5
281.03574	8.5
283.05057	2.3
285.03040	3.3
287.04636	1.2
293.03546	7.6
295.05130	3.6
297.03015	4.1
303.04056	10.1
304.04367	1.1
305.07242	3.1
305.57236	0.8
309.02924	1.2
311.04462	5.7
312.04721	1.0
315.04056	5.0
319.03555	0.9
321.05063	1.1
327.03860	0.9
329.05637	33.8
330.05692	2.4
333.05130	8.0
334.05185	0.7
345.05176	5.2
347.06699	8.4
348.07114	0.8
351.06308	1.6
352.07239	1.6
357.04700	7.6
359.06659	1.4
363.06113	1.5
369.05011	3.1
375.06229	6.0
381.06549	0.8
387.06223	6.4
388.19644	0.9
399.06137	2.9
405.07098	2.2
407.10629	1.0
417.07220	100.0
418.07291	7.4
435.08383	13.1
436.08450	1.1
457.10818	0.8
458.10074	1.5
459.08261	5.8
460.09262	1.0
477.08713	0.8
519.10699	1.3
549.10413	0.9
579.11383	3.0
597.13568	2.0
621.13361	2.9
639.14563	47.0
640.14752	4.8
657.15613	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	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.22098	0.3
55.01863	0.4
55.05503	0.6
66.01458	0.3
67.05496	1.5
69.07027	0.6
69.80813	1.6
71.51210	0.3
79.05473	1.0
81.07045	1.2
83.08608	0.4
91.05465	1.3
93.07035	1.0
95.04932	0.4
95.08598	0.9
97.06525	0.3
97.10134	0.3
105.07012	1.0
107.08555	0.5
109.46471	0.3
117.06969	0.4
119.08579	0.6
124.96292	0.3
131.08467	0.4
133.10146	0.5
135.08029	0.3
142.06271	0.3
143.08585	0.4
145.10121	0.6
147.11612	0.6
159.11618	0.4
204.06503	0.8
225.10277	0.4
239.11816	0.5
241.13562	0.4
249.10080	0.3
253.13022	0.3
275.20084	0.5
286.27615	0.3
291.19748	0.7
314.12885	0.5
328.14429	0.8
345.09558	0.5
354.12311	0.4
356.13995	0.4
377.17746	0.4
391.15317	0.7
391.19910	0.4
392.16122	0.6
393.16986	1.2
393.21310	0.6
403.15668	0.4
405.17206	0.9
406.17929	0.7
407.18298	2.7
417.16956	0.9
418.17844	0.5
419.14261	0.6
419.18655	1.3
420.15576	1.1
420.19687	1.0
421.20413	5.9
422.21030	1.9
423.21759	0.6
432.19415	0.9
433.21231	2.0
434.16495	1.8
435.17239	2.8
436.22998	3.1
437.23468	0.7
445.16672	0.9
447.17267	0.7
447.22018	1.5
448.18607	2.6
449.19608	9.7
450.20364	3.1
451.21460	0.7
459.18042	1.2
460.18698	0.7
461.19781	1.4
462.20483	1.1
463.21509	6.1
464.22104	6.3
465.22778	1.3
473.19894	0.5
474.20486	1.4
475.21533	2.2
476.18106	0.6
476.22458	0.3
477.18692	6.6
478.19727	2.5
479.20737	1.0
491.20657	1.6
492.21655	1.0
493.22385	1.0
495.23862	0.4
505.22549	0.8
507.23584	1.1
509.25626	0.8
518.00031	0.4
519.23877	0.5
520.24329	0.5
521.22125	1.1
523.22876	2.1
533.21307	1.8
535.23596	3.9
536.24323	1.7
537.22021	1.6
547.23303	0.5
549.20996	0.5
550.25378	1.1
551.26416	3.1
552.27405	0.3
553.24261	0.4
561.24811	3.9
562.24878	0.4
563.23041	0.7
564.23535	4.9
565.24432	3.0
567.26367	0.4
579.25983	8.7
580.25763	0.5
581.24170	0.7
595.25598	2.8
596.25916	0.7
607.25500	0.7
610.27515	1.0
621.27032	5.1
621.41754	0.4
622.26050	0.4
624.25781	5.7
625.26202	0.4
639.28015	100.0
640.28351	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
60.55600	1.2
69.96355	6.5
89.11809	1.7
122.06967	1.3
144.33002	1.2
179.68907	1.2
377.17618	1.7
378.18436	1.4
389.17514	2.6
390.18723	2.3
391.19165	8.4
392.19833	6.8
393.20740	1.6
404.20026	2.5
405.20737	12.1
406.21387	7.4
407.22247	14.4
408.22757	1.4
418.21451	1.4
419.22333	6.0
420.22824	6.4
421.23880	19.5
422.24591	3.7
433.23865	4.4
434.24814	2.6
435.18246	2.6
436.18933	2.6
440.51886	1.3
445.20200	2.1
449.19626	2.6
449.27527	1.3
450.20453	2.3
451.21194	19.5
452.21988	4.7
461.23407	2.3
463.21237	2.0
464.21729	1.4
465.22760	20.7
466.23380	3.8
473.19431	1.5
477.22491	1.7
478.24240	2.0
487.21368	2.2
491.20831	3.0
493.25900	2.3
501.22974	2.0
503.24323	16.0
504.25159	1.7
507.27661	13.4
508.28348	3.4
523.23486	4.1
535.26990	19.8
537.24854	9.9
551.26837	5.6
552.27216	22.8
553.27679	1.7
561.24988	4.1
579.25824	9.3
580.26495	4.7
593.26837	1.9
595.29004	8.0
621.26965	21.9
622.27350	2.7
636.97534	1.3
639.28015	100.0
640.28168	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	639.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01861	5.0
55.05505	20.1
57.03428	10.2
59.04985	1.0
61.02909	1.0
65.03943	1.6
65.12889	0.8
67.05496	29.3
69.03425	14.2
69.07059	6.7
71.01350	1.3
71.04993	6.8
73.02909	1.6
79.05487	26.0
81.03410	100.0
81.07050	30.6
82.03756	1.2
83.04973	24.5
83.08614	24.0
83.09097	1.7
85.02898	23.6
85.06514	1.8
87.04470	1.4
91.05470	33.8
93.07031	18.2
95.04958	30.8
95.08594	11.4
97.02881	15.3
97.06501	4.8
97.10170	5.9
97.86246	0.8
99.04447	5.9
99.08102	1.3
103.05461	2.0
105.07022	22.1
105.07751	1.3
107.04948	9.1
107.08595	9.9
109.02872	18.8
109.06501	6.3
109.10126	4.5
111.04421	13.8
111.08073	10.1
113.06039	2.3
115.05459	2.0
117.07008	3.3
117.72130	0.8
119.08575	20.4
121.06532	3.8
121.10140	10.3
123.04469	1.7
123.08085	2.3
123.11717	1.9
125.09634	3.8
127.03894	8.1
129.05490	2.9
129.06981	11.8
131.08543	13.1
133.06480	4.2
133.10104	10.2
135.04433	1.3
135.08078	2.1
135.11699	3.6
137.05974	1.5
137.09602	2.5
141.06952	1.3
142.07791	3.4
144.96742	0.8
145.06465	1.3
145.10075	4.7
147.04396	1.2
147.08011	4.0
147.11667	14.2
149.09605	6.2
153.12752	2.8
155.08556	1.6
157.06488	1.5
157.10120	13.8
161.06032	1.0
163.11177	5.1
165.12717	5.7
169.10236	1.0
171.11620	0.9
173.04440	2.1
173.09616	1.4
175.11162	12.0
181.12260	4.4
189.11230	1.9
191.10635	4.8
193.12221	45.6
199.11198	0.9
207.13727	0.9
209.11719	1.5
211.13269	70.8
212.13622	1.5
227.12746	7.0
229.14336	3.1
229.19896	0.8
235.13380	2.1
249.14822	1.3
259.13226	1.3
265.14261	1.4
267.15875	18.6
269.17526	1.4
273.14832	2.9
283.15649	1.5
285.16956	14.5
289.14554	1.1
301.14188	4.8
319.15308	2.4
331.94327	0.9
337.16364	4.1
355.17526	8.9
367.22592	1.2
375.18185	1.9
385.23984	3.6
393.19073	3.5
403.24759	1.5
411.19794	5.4
429.21286	2.9
441.26715	0.9
459.27509	8.7
477.28467	12.4
495.29486	14.2
511.29178	1.6
519.29767	1.1
561.30206	1.3
585.30939	2.9
603.31799	2.4
621.32684	10.5
639.33655	47.6
640.33917	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	639.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01870	4.4
55.05507	18.9
57.03209	0.9
57.03434	8.9
57.07074	1.1
57.53904	0.7
59.04995	1.1
65.03945	2.3
67.05496	25.0
69.03419	16.2
69.07050	7.0
70.74157	1.8
71.01328	1.3
71.04982	7.8
73.02905	1.2
74.27859	0.7
77.03937	0.8
79.05484	25.6
79.05944	1.3
79.25523	0.8
81.03409	100.0
81.07047	31.1
81.07414	0.7
81.31041	0.7
83.04971	20.0
83.08611	19.4
85.02892	22.5
85.06535	2.5
91.05470	31.2
93.07032	17.3
95.04957	29.0
95.08597	11.2
97.02889	14.6
97.06540	5.1
97.10171	5.7
99.04458	4.7
99.08062	0.9
101.02378	1.2
103.05464	1.5
105.07018	22.2
106.07382	0.9
107.04946	8.3
107.08583	11.8
109.02861	17.4
109.06492	5.3
109.09543	0.8
109.10141	4.2
109.44951	0.8
111.04420	11.0
111.05084	1.2
111.08064	9.3
113.06003	2.3
115.05453	2.1
117.06990	3.8
119.08563	17.5
120.08958	0.8
121.06482	4.4
121.10126	9.6
123.04390	2.1
123.08052	2.7
123.11713	2.7
125.06013	1.3
125.09620	3.9
127.03885	9.1
128.06244	1.2
129.05498	1.7
129.06987	10.6
131.08563	10.5
133.06496	2.8
133.10118	9.2
135.08067	2.3
135.11685	3.2
137.05942	1.4
137.09593	1.5
142.07784	3.5
143.08530	1.5
145.06557	1.0
145.10094	4.1
147.04388	1.1
147.08002	4.1
147.11673	18.0
149.09598	5.4
151.07559	1.0
153.12762	2.9
155.08591	1.3
157.06389	1.3
157.10106	13.2
159.08006	1.0
161.05988	1.6
161.09610	1.2
163.11186	4.5
163.56685	0.8
165.09131	1.2
165.12755	5.3
171.11664	1.1
173.04457	1.6
173.09656	2.4
175.11151	13.6
181.12242	3.1
189.11258	1.6
189.12820	1.2
191.10611	4.8
193.12219	47.0
194.12617	1.2
194.35564	0.7
209.11696	1.6
211.13266	66.2
212.13643	2.1
227.12714	6.0
229.14355	2.6
231.13803	0.9
244.84363	0.9
249.14886	2.5
255.13857	1.6
265.14496	1.1
267.15875	18.3
273.14902	2.5
277.14536	1.4
283.15527	2.2
285.16904	11.9
301.14172	3.7
313.16412	1.1
319.15567	2.8
337.16287	4.0
355.17499	7.4
367.22766	2.1
375.18198	1.1
385.23627	2.3
393.19101	3.7
403.24716	1.2
411.20010	5.3
429.21088	1.5
459.27341	6.6
477.28336	9.5
478.28592	1.0
495.29517	13.1
496.29556	1.1
511.28912	1.0
512.29846	0.9
519.29810	1.1
531.28009	0.7
548.67133	0.9
573.30396	1.0
585.31262	1.7
603.31403	2.3
621.32404	8.4
622.33020	1.6
639.33667	39.7
640.34259	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	639.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01856	6.4
55.05503	15.9
57.03428	9.8
65.03934	2.1
67.05495	25.4
69.03418	14.2
69.07062	5.6
69.19501	14.9
69.19839	2.7
71.01373	1.5
71.04985	6.0
79.05479	26.7
79.55541	1.2
81.03405	100.0
81.07045	27.0
82.03783	1.7
83.04969	18.7
83.08611	23.3
85.02890	21.1
85.06548	2.3
91.05470	29.9
93.07027	17.7
95.04955	28.1
95.08607	8.5
96.05291	1.1
97.02882	15.3
97.06535	5.1
97.10150	7.5
99.04456	5.1
99.08156	1.5
99.82996	1.2
105.07011	22.5
107.04964	8.9
107.08590	13.0
109.02856	17.6
109.03462	1.7
109.06489	6.2
109.10184	3.9
109.67703	1.2
111.04449	11.3
111.08064	10.9
113.05977	1.3
115.05446	1.7
117.06988	3.3
119.04906	1.4
119.08569	17.7
121.06512	3.6
121.10128	12.1
123.04480	2.6
123.08082	2.0
123.11733	2.2
124.15585	1.1
125.05941	2.0
125.09660	3.8
127.03915	9.6
129.05466	2.0
129.07013	10.3
131.08540	11.2
133.06499	3.9
133.10103	8.9
135.08043	2.1
135.11665	2.7
137.05995	1.4
142.07759	1.4
145.06540	1.4
145.10158	3.5
147.08063	4.5
147.11674	17.7
149.09642	6.6
153.12807	2.0
157.06519	1.6
157.10121	13.9
163.11125	5.7
165.12737	6.6
169.10133	1.2
171.11739	1.4
172.65984	1.2
175.11166	14.8
181.12254	3.3
183.06581	1.5
189.11313	1.8
191.10696	4.1
193.12222	45.2
209.11754	1.5
211.13258	72.1
212.13675	2.5
227.12717	6.4
229.14293	3.0
238.06987	1.2
249.14490	1.2
259.13293	1.4
267.15921	16.2
273.14890	3.0
275.39740	1.1
277.14267	2.3
283.15573	2.4
285.16946	12.7
286.17258	1.4
301.14362	4.3
313.16510	1.4
319.15823	3.3
337.16422	3.3
355.17499	8.3
367.22702	1.5
385.23956	3.0
393.19125	4.5
403.24786	1.6
411.20068	8.4
429.21387	2.7
456.00528	1.3
459.27368	5.4
477.28311	10.6
495.29437	16.7
496.29745	1.4
511.28638	1.3
585.30414	2.2
603.31427	3.9
621.32544	8.8
639.22986	2.2
639.33618	42.0
640.33960	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.1
51.32677	2.2
53.03946	12.6
55.01863	13.3
55.05504	31.6
57.03434	12.5
57.07056	3.6
59.04985	2.8
62.11887	1.9
64.19740	2.2
65.03934	6.0
67.05496	100.0
68.05829	2.0
69.03423	41.4
69.07063	23.1
69.47120	4.1
69.47535	13.1
71.01324	5.6
71.04978	15.5
71.08615	2.1
72.92899	1.9
73.02886	3.0
79.05486	62.4
81.03408	94.4
81.07046	94.3
82.03786	2.2
82.07384	2.2
83.01312	2.0
83.04971	30.0
83.08605	21.4
85.02895	19.3
85.06529	5.0
87.04436	3.1
91.05467	51.4
93.07036	67.3
95.04961	19.1
95.08592	37.7
97.02889	35.0
97.06526	17.3
97.10155	17.8
99.04468	10.0
101.02383	3.1
103.05405	3.2
105.07014	23.6
107.04952	14.1
107.08584	42.0
109.02859	32.3
109.06504	7.9
109.10138	28.6
111.04416	16.1
111.08047	8.6
115.03888	2.4
115.05415	2.5
115.06289	1.9
115.66157	2.0
116.69288	2.1
117.06998	15.7
119.08565	17.4
121.06507	7.5
121.10131	23.5
123.04409	3.6
123.08067	5.2
123.11687	5.4
125.09602	10.6
127.03912	26.4
129.05466	3.3
129.06993	2.3
131.04929	2.8
131.08565	18.5
133.06465	4.1
133.10120	13.3
135.04364	2.1
135.08044	4.1
135.11697	19.1
137.09589	4.4
141.06976	3.1
143.08557	4.6
143.10663	2.8
145.10132	13.3
147.08003	4.4
147.11671	9.6
149.09596	4.0
149.13223	19.6
153.12718	11.2
157.06508	2.9
157.10086	3.3
159.11630	11.3
161.09637	3.0
161.13251	2.1
163.11122	23.6
165.09093	2.1
171.11781	3.0
173.04437	32.8
173.09596	6.4
173.11703	5.6
173.13132	3.0
175.11203	4.1
177.12738	8.9
181.12199	10.6
183.06512	4.5
189.11192	2.9
191.10669	10.7
193.12244	3.8
195.13802	12.6
209.11716	29.0
213.14801	2.4
225.11143	2.1
227.12729	27.0
229.14348	5.8
265.14398	4.2
267.15930	5.1
269.17511	19.1
281.13892	3.4
283.15244	9.8
301.16464	4.7
303.15945	3.9
353.15796	10.7
377.19858	3.1
423.27304	10.5
427.19571	6.6
435.27350	2.3
448.19485	2.2
459.27255	8.6
477.28531	17.7
495.29459	9.0
603.31427	5.7
621.32800	20.7
630.12195	2.5
639.33606	67.8
640.33557	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01864	9.0
55.05504	25.8
57.03428	11.8
57.07083	1.8
57.71762	1.5
59.04997	2.5
61.02905	1.6
61.72441	1.3
65.03929	5.0
67.05492	75.6
69.03416	27.5
69.07053	20.6
69.90298	1.3
70.04950	1.5
71.01343	1.6
71.04585	2.5
71.04982	38.5
71.53786	2.8
73.02927	2.2
79.05481	47.6
81.03407	83.9
81.07043	100.0
82.07369	1.8
83.04970	16.9
83.08601	18.4
85.02889	13.2
85.06537	8.5
87.04475	1.7
91.05468	49.9
93.07028	49.4
95.01340	1.8
95.04951	16.2
95.08594	26.3
97.02885	13.2
97.06519	15.2
97.10158	5.9
99.04446	7.0
99.08052	2.1
105.07011	31.2
107.04936	8.9
107.08570	32.9
109.02863	18.2
109.06480	7.4
109.10136	12.0
110.03248	1.8
111.04421	13.2
111.08057	7.3
113.06021	1.4
117.07001	13.7
119.04916	1.5
119.08559	14.0
121.06515	5.5
121.10116	19.9
123.04381	2.1
123.08029	2.2
123.11679	12.3
125.09623	5.6
127.03890	15.0
127.05480	1.4
128.06152	1.5
129.05449	4.1
129.06979	6.8
131.04872	2.5
131.08517	13.2
133.06487	3.5
133.10114	23.1
135.07977	3.7
135.11674	12.1
141.05421	1.9
141.06931	1.9
143.08569	3.5
145.06459	2.0
145.10106	6.1
147.08034	2.4
147.11702	12.9
149.09564	3.7
149.13242	25.0
151.11156	10.6
153.12672	1.9
155.08517	3.4
157.10103	6.0
159.11659	13.5
161.09517	1.8
161.13237	3.6
163.11191	4.3
165.12738	5.0
169.12234	4.0
173.04445	11.1
173.11725	1.7
175.11212	6.1
177.12767	9.2
179.14288	2.0
183.06480	2.3
183.13800	6.2
187.13278	19.3
187.14809	1.9
189.11220	1.6
191.10521	1.8
193.12233	11.7
195.13792	17.6
201.14850	4.0
209.11678	2.4
211.13205	15.5
213.12891	1.7
213.14796	4.1
219.13837	2.4
227.12831	5.0
229.14255	3.0
233.15192	1.7
235.13211	1.7
237.04190	1.5
257.17337	1.7
259.45752	1.6
267.15988	8.1
269.17462	10.4
275.16422	3.0
283.15466	2.5
283.18875	3.5
285.16968	2.5
303.15805	4.6
321.16913	4.8
339.17877	10.1
377.19507	4.9
395.20639	9.4
396.21054	1.6
427.23645	2.1
435.30750	1.8
437.28900	18.2
451.30118	4.9
453.32199	2.1
459.27078	2.4
463.30386	4.9
477.28262	8.3
495.28641	2.0
589.33936	1.6
595.34302	2.8
607.34552	20.4
614.68665	1.7
621.33099	5.1
639.35809	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	639.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01855	6.4
55.05506	16.5
57.03432	7.1
57.07043	2.4
59.04984	1.6
65.03909	3.1
67.05497	70.5
68.04630	1.2
69.03421	17.6
69.07060	22.4
71.04986	39.0
71.53651	1.5
71.54055	1.6
74.94890	1.2
75.36552	1.0
79.05485	45.1
81.03408	45.5
81.07048	100.0
82.07355	2.3
83.04970	14.3
83.08613	13.7
85.02906	7.1
85.06532	6.2
87.04457	1.9
91.05473	39.2
93.07032	49.6
95.04957	12.0
95.08595	22.2
97.02896	14.4
97.06522	12.2
97.10155	3.1
99.04424	6.1
99.08065	4.0
101.02372	1.2
105.07017	22.9
107.04924	5.6
107.08581	31.4
109.02867	14.0
109.06503	5.1
109.10131	8.2
111.04433	7.3
111.08096	8.2
115.05474	2.1
115.89199	1.4
117.06994	10.0
119.08584	10.0
121.06494	2.8
121.10121	14.3
123.04384	2.5
123.08085	1.6
123.11706	11.2
125.05996	1.3
125.09622	2.4
127.03904	9.7
129.05479	2.1
129.06982	3.2
131.08545	11.5
133.06383	2.3
133.10117	20.6
135.04390	1.8
135.08054	3.7
135.11714	8.0
136.21487	1.2
137.96295	1.4
145.10114	4.4
147.08031	2.0
147.11670	6.9
149.09628	2.0
149.13240	21.9
151.11174	5.7
153.12721	1.3
157.10051	2.1
159.11676	14.4
161.13205	1.5
163.11143	1.9
165.12711	2.1
169.12227	2.6
171.06532	2.3
173.04468	12.5
175.11180	3.2
177.12743	8.8
183.06505	2.0
183.13768	4.9
187.13232	10.5
193.12186	2.7
195.13777	14.7
201.14806	3.6
209.31236	1.3
213.14821	2.6
227.12750	3.4
229.14281	1.5
257.17496	1.9
259.13586	1.2
267.15857	4.6
269.17578	9.7
275.16437	1.3
275.20135	2.1
283.19089	3.2
299.46265	1.5
303.15958	2.1
305.17517	1.4
321.16879	3.6
339.17981	9.2
377.19562	2.6
395.20590	5.3
419.27805	1.7
421.29489	2.7
427.23044	4.1
435.30878	2.2
437.28918	23.1
451.30688	8.2
453.32117	2.7
463.30530	6.0
495.32733	5.3
561.21661	1.4
563.31848	2.6
589.32910	2.3
607.34668	13.1
621.23438	1.6
621.32892	2.1
639.37201	30.9
640.36963	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	640.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07970	1.3
57.03433	10.0
58.84798	1.4
61.02929	6.3
68.99796	2.1
69.03419	10.8
73.02912	20.7
81.03394	3.1
85.02889	12.2
87.04459	1.5
91.03941	3.2
91.05466	1.8
97.02879	13.5
98.06018	1.5
99.04433	1.8
101.86377	1.3
103.05443	3.1
106.06535	4.1
107.04951	3.2
109.02731	1.2
111.04430	2.0
115.03919	6.0
118.06499	4.1
119.04932	3.3
121.06501	2.6
122.26119	1.2
123.04404	4.1
126.05502	1.7
127.03880	4.9
131.04861	1.8
135.04391	6.0
137.02330	33.9
137.03354	1.4
137.05939	2.4
145.04903	2.5
146.05936	4.3
147.04391	4.7
149.02371	1.6
149.05946	5.1
153.01808	17.5
162.05487	1.8
163.03885	21.1
163.06009	1.4
164.04814	1.5
164.07060	20.0
165.01880	2.8
166.08646	10.2
171.30792	1.8
175.03905	2.3
180.02824	1.7
181.06503	1.8
191.03378	3.2
192.06528	26.9
193.04919	1.9
194.08105	7.6
203.03282	1.4
206.10118	1.7
209.05945	2.9
213.05511	2.0
221.04424	2.8
226.22040	1.4
227.07016	2.0
229.04936	5.3
237.05569	12.1
244.05905	2.6
255.06483	10.2
257.04459	1.8
265.04919	8.7
266.05444	1.3
272.06708	5.2
273.07556	17.5
275.36252	1.3
283.05972	45.9
285.06952	1.4
287.05356	3.6
293.04422	3.8
300.08673	1.7
301.03470	2.1
301.07034	2.7
303.04980	34.0
304.05313	3.6
305.05679	3.1
311.05466	100.0
312.05853	4.1
313.06778	1.7
314.04138	2.0
327.04886	2.2
328.05170	1.6
328.08215	18.3
329.03024	5.7
329.06494	95.4
330.06537	2.9
344.07712	2.2
345.07458	1.3
346.09192	92.4
347.09689	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	641.1703
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
57.03427	1.8
60.90213	0.2
61.02913	1.6
68.17883	0.2
68.99772	0.4
69.03414	0.5
69.28816	1.7
69.29232	0.7
71.04987	10.4
71.25410	0.2
73.02892	0.9
75.04473	0.5
81.03394	0.5
83.04959	0.9
85.02895	13.8
91.03938	1.0
97.02875	1.0
99.04433	0.3
109.02865	1.1
111.00780	0.9
111.04407	0.5
123.04408	0.5
127.03880	0.7
129.05464	3.2
137.02307	1.1
138.03098	0.4
139.03888	1.7
145.04926	0.4
147.04398	0.8
147.06471	1.1
151.03909	0.3
153.01810	5.2
165.01808	1.8
166.02620	0.4
167.03380	1.6
179.03429	0.3
183.02879	0.4
183.34726	0.2
189.05464	0.5
193.04927	0.7
206.05698	0.3
208.03703	0.4
217.04926	2.1
219.02841	2.0
229.04933	0.3
233.04390	0.8
234.05205	0.4
241.04889	0.6
244.03648	1.2
245.04427	3.6
255.02940	0.4
259.02078	0.2
259.05945	0.9
261.03958	0.6
269.04294	0.2
272.03116	0.5
273.03867	3.0
274.04550	0.6
277.07059	0.8
285.04041	0.4
287.05493	1.1
289.03351	2.1
290.04230	1.5
300.02383	0.4
301.03363	4.7
302.04233	0.7
303.05014	0.4
304.05811	0.7
317.06534	4.6
318.03644	8.0
333.06003	100.0
334.06259	1.9
345.06076	0.5
355.28403	0.3
357.05945	0.3
375.07214	0.4
399.06839	0.5
495.11676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05493	0.3
59.13945	0.2
59.14812	0.2
62.67934	0.3
62.87562	0.2
67.05491	0.9
69.07043	0.7
69.59930	1.3
69.60353	0.4
79.05495	1.3
81.07021	1.4
83.04981	0.4
83.08585	0.4
91.05469	0.8
93.07023	0.9
95.02837	0.3
95.08588	0.6
97.06517	0.5
105.07008	1.1
107.04963	0.3
107.08575	0.9
109.10159	0.4
117.06986	0.3
119.08594	0.7
121.09999	0.3
131.08533	0.3
133.10107	0.6
135.11714	0.4
145.10104	0.4
149.09532	0.2
157.88518	0.2
159.11699	0.3
171.08040	0.3
173.10649	0.3
197.10835	0.3
223.12270	0.3
225.10349	0.4
227.11905	0.3
239.11868	0.5
241.13275	0.4
249.10233	0.4
251.11717	0.4
251.49155	0.3
269.12872	0.4
275.20169	1.1
300.11810	0.3
311.89899	0.3
314.13107	0.3
325.15518	0.3
326.12961	0.3
328.14490	0.5
330.16187	0.5
349.23978	0.5
352.14038	0.3
356.17719	0.3
377.17227	0.4
390.18802	0.4
391.19174	1.0
403.15277	0.5
403.19931	0.4
404.15854	0.6
404.20581	0.5
405.16418	0.5
405.20810	1.1
406.21835	1.2
409.20599	0.3
417.17032	0.4
418.17514	1.7
419.18161	2.0
420.23157	0.9
421.15952	0.3
421.24118	0.7
432.15421	0.7
432.20044	0.4
433.20184	4.1
434.21127	2.6
435.21591	1.2
436.18817	0.4
437.19818	0.6
445.20428	0.5
446.17545	0.9
447.17841	1.7
447.22208	1.4
448.22928	1.3
449.24078	1.9
451.21399	0.8
460.22919	0.4
461.19452	10.5
462.20276	4.1
463.21130	1.5
465.18542	2.0
467.24536	2.5
473.19388	0.3
475.21112	1.3
476.21918	2.9
477.23050	4.7
478.21304	0.4
479.20703	1.1
480.21869	0.9
489.22647	0.9
491.22168	0.3
493.21460	1.6
494.22748	3.2
495.23831	1.7
505.22150	0.7
507.24240	1.3
519.19977	0.4
520.24585	0.8
521.20789	1.8
533.21710	0.8
534.25720	0.6
535.27753	1.3
539.22595	0.4
547.27026	0.4
548.24103	3.2
549.24841	1.8
553.28204	1.5
554.24847	0.5
563.26453	7.0
564.26508	0.9
565.24493	0.6
566.25165	0.5
576.23145	0.5
581.27576	10.7
582.27954	0.7
593.23981	0.6
594.27686	0.4
607.28479	0.4
608.26074	2.0
609.26367	0.4
623.28619	3.9
624.27814	0.6
641.29559	100.0
642.30090	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	641.296
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05496	0.6
67.05489	0.8
69.05288	0.2
69.07047	0.4
69.26984	1.8
69.27411	0.5
71.04962	0.2
79.05482	0.6
79.72620	0.2
81.03408	0.3
81.07030	1.3
83.08640	0.2
91.05481	0.9
93.07024	0.7
94.06560	0.3
95.04947	0.2
95.08585	0.6
95.19029	0.2
97.06537	0.2
98.20740	0.4
99.42836	0.2
105.07035	0.7
107.04941	0.3
107.08588	0.7
109.06542	0.3
109.10193	0.3
119.08588	0.4
121.10102	0.3
125.98103	0.2
131.08563	0.5
133.10085	0.4
136.05386	0.2
143.08521	0.3
145.10077	0.4
147.11630	0.4
163.11235	0.3
183.09230	0.2
197.13136	0.2
239.12086	0.3
242.92752	0.2
275.20126	0.8
328.14343	0.2
343.47403	0.2
376.16843	0.3
377.17633	1.0
378.18375	0.4
379.19165	1.1
391.15295	0.3
391.19302	1.5
392.20096	0.7
393.16440	0.4
393.20813	2.4
394.21500	0.3
395.22269	0.4
404.20349	0.4
405.16354	2.2
405.20917	1.0
406.17337	1.3
406.22205	0.4
407.18317	1.0
407.22687	4.3
408.22910	0.7
418.17926	0.7
419.18359	3.8
419.23560	0.3
420.18994	2.6
421.20242	5.2
422.21127	0.5
423.21732	1.5
432.19318	0.4
433.20352	4.0
434.21292	3.9
435.21887	6.7
436.22629	1.5
437.23529	0.2
447.22595	1.5
448.17996	0.4
448.23224	0.7
449.13458	0.6
449.19543	8.9
450.20389	0.9
461.23886	0.3
462.20151	0.5
463.21103	3.2
464.22076	2.3
465.18491	0.5
465.23654	0.3
466.24234	0.2
467.24472	0.8
468.25043	0.3
475.21027	0.6
476.22067	0.4
477.22900	0.8
479.20914	1.4
480.21436	0.5
481.22003	2.0
490.23868	0.4
491.24301	0.6
493.21512	1.9
493.27689	0.3
494.22879	3.2
495.23737	3.8
507.23975	1.9
509.25677	0.7
519.23724	0.3
521.25702	9.9
522.25818	0.7
523.26630	0.9
526.25610	0.3
535.23547	0.9
539.21851	1.1
543.36853	0.6
549.25238	1.1
550.25842	0.4
551.15820	0.3
551.26270	0.5
553.26727	0.7
563.26624	1.1
567.26263	0.3
581.27545	19.1
582.28070	1.5
609.27563	0.4
610.27808	0.4
613.29718	0.5
641.29584	100.0
642.29718	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
67.05499	1.0
69.07050	0.5
69.22610	2.7
79.05495	0.6
81.07051	1.0
91.05457	0.5
93.07041	0.6
95.04969	0.6
95.08595	0.4
95.40492	0.3
96.54110	0.2
98.21437	0.4
105.07044	0.8
106.06589	0.3
107.08590	0.6
109.06515	0.4
109.10182	0.2
113.06056	0.4
121.10172	0.2
122.37363	0.2
131.08603	0.4
133.10120	0.5
134.09677	0.3
139.66493	0.3
140.31834	0.2
145.10129	0.3
160.37068	0.3
197.10709	0.3
210.11714	0.3
225.10316	0.6
237.10281	0.3
237.13919	0.3
239.11864	0.4
241.13354	0.5
249.10277	0.5
251.11842	0.5
265.13480	0.3
275.20267	0.5
314.13104	0.3
314.16766	0.3
315.13635	0.3
316.14481	0.4
320.13715	0.3
325.15402	0.3
328.14612	0.4
330.16000	0.3
340.14249	0.4
342.16013	0.3
343.16537	0.3
349.23233	0.3
352.95755	0.2
354.12103	0.3
354.16150	0.4
377.17798	0.4
378.18488	0.3
390.18301	0.5
391.19180	0.9
394.17987	0.3
403.15570	0.4
404.16183	0.8
405.16821	0.8
405.20865	1.1
406.21512	0.9
407.22720	0.3
418.17609	1.3
419.18356	2.5
420.23087	0.7
421.24344	0.6
423.22000	0.4
432.19556	0.9
433.20346	3.1
434.21036	1.9
435.21796	1.0
437.19922	0.4
445.20377	0.6
446.16870	0.4
446.21954	0.4
447.17883	1.3
447.22247	1.4
448.22729	1.0
449.24066	1.2
451.21378	0.4
459.21857	0.6
460.22699	0.5
461.19495	10.6
462.20224	4.1
462.25241	0.3
463.21173	1.0
465.18671	1.9
467.24475	2.5
475.21176	1.0
476.22006	2.2
477.23029	3.7
479.20059	1.3
480.21671	0.8
489.23053	0.8
490.23575	0.7
493.21970	1.7
494.22922	2.7
495.23639	1.9
505.21930	0.5
506.22855	0.4
507.23773	1.0
520.08344	0.3
520.24841	0.6
521.22144	1.5
533.21710	0.6
534.26129	0.4
535.27661	1.5
536.26544	0.3
538.25165	0.3
539.23206	0.5
543.36432	0.3
547.26825	0.5
548.24048	2.9
549.24854	1.3
553.28094	1.6
563.26489	5.1
564.26691	0.6
576.23468	0.6
579.22180	0.4
580.25873	0.3
581.27521	11.0
582.28180	0.7
593.23987	0.8
595.28656	0.3
607.28802	0.4
608.25977	1.7
609.27185	0.5
612.26520	0.4
623.28680	1.4
623.43115	0.3
624.27490	0.4
641.29584	100.0
642.29962	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05503	1.6
59.42297	0.5
67.05494	3.8
69.07059	1.4
69.43782	3.1
69.44193	1.3
71.89118	0.6
79.05489	2.3
81.03415	0.8
81.07041	3.8
83.04980	0.6
83.08581	0.7
87.21713	0.5
91.05470	3.2
93.07028	2.6
95.04961	0.6
95.08615	2.8
97.06512	0.5
105.07037	2.6
107.08592	1.5
109.06516	1.0
109.10140	0.7
111.08096	0.5
114.27026	0.6
117.07062	1.4
119.08598	1.8
121.10165	0.9
131.08556	1.7
133.10138	1.4
143.08551	0.7
144.08273	0.5
145.10130	1.8
147.11708	1.6
149.09683	0.6
154.56702	0.6
155.08604	0.6
157.10056	0.6
159.11676	0.7
161.13229	0.6
162.72340	0.5
163.11168	0.9
169.10191	0.6
173.13222	0.7
175.25749	0.5
183.11746	0.7
185.13214	0.6
209.10977	0.5
209.13171	0.5
213.16316	0.5
257.18939	0.6
275.20148	1.8
293.15857	0.5
294.43332	0.7
349.23746	0.8
377.17490	0.7
379.19266	0.8
391.19266	1.9
393.20886	1.5
404.16559	0.6
405.16345	0.8
405.20996	1.3
406.21570	1.6
407.22507	2.6
418.17807	0.9
419.18027	3.7
420.19189	1.1
421.19955	2.9
423.21912	1.1
432.19516	1.0
433.20206	5.9
434.21054	2.4
435.22021	6.9
436.22409	0.9
447.17206	1.1
447.22012	2.4
448.22830	0.6
449.19296	5.0
461.19037	4.2
462.20258	3.4
463.21274	3.5
464.21957	1.5
465.19363	1.9
467.24609	2.3
473.19812	0.7
475.21454	0.9
476.22238	2.0
477.22879	3.7
479.21005	0.7
480.21542	1.3
481.22208	0.8
489.23129	0.9
493.22336	2.2
494.22968	5.5
495.23654	3.0
507.23978	2.0
508.24533	0.8
521.25781	5.8
535.27216	1.1
548.24200	2.5
549.24744	1.2
553.28491	1.5
563.26514	6.2
581.27545	38.0
582.27771	2.2
609.26532	1.0
609.51062	0.6
613.29425	0.8
623.28442	4.5
623.42615	1.4
641.29608	100.0
642.29895	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	641.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01864	5.3
55.05501	18.9
57.03427	11.3
59.04980	2.1
65.03915	3.4
65.98654	1.5
66.18482	1.4
67.05495	75.0
69.03421	18.6
69.07058	11.3
69.40266	9.8
69.40681	4.3
71.04984	52.8
74.02862	2.0
79.05045	2.4
79.05484	35.7
80.16460	1.7
81.03407	100.0
81.07045	39.2
83.04971	21.6
83.08598	17.6
85.02894	20.4
85.06519	4.0
87.04507	1.7
91.05468	45.0
92.40256	2.3
93.07029	33.6
95.04955	28.7
95.08591	18.7
97.02878	16.7
97.06524	10.0
97.10158	6.5
99.04447	6.7
99.08068	2.4
105.07015	19.2
107.04932	7.7
107.08573	19.5
109.02863	16.9
109.06506	6.4
109.10140	47.6
111.04437	12.7
111.08070	10.6
117.07003	7.5
119.04950	1.7
119.08562	31.4
121.06493	6.5
121.10110	13.0
123.04461	2.3
123.08011	3.5
123.11752	2.3
125.09612	4.4
127.03899	7.7
129.05487	5.5
129.06966	9.0
131.08563	11.6
133.06477	3.0
133.10118	13.8
135.08035	4.0
135.11671	14.9
137.09592	16.4
142.07791	2.7
143.08554	1.9
145.06512	2.0
145.10110	7.2
147.08014	5.5
147.11638	14.4
149.09589	6.3
149.13342	1.6
151.11180	3.3
152.34622	1.6
153.12718	1.6
155.10669	4.1
157.10100	9.3
159.11734	2.8
163.11168	7.1
165.06671	1.6
165.12697	5.5
167.06999	4.1
169.12224	3.9
171.06520	1.8
173.04478	10.5
173.11734	15.2
173.13170	2.6
175.11169	13.2
179.10568	3.5
181.12186	8.2
187.13254	5.6
191.10632	1.7
193.12228	30.8
194.12564	2.9
195.13887	1.7
199.11212	2.2
211.13275	52.8
227.12723	3.2
229.14384	5.4
243.15834	4.0
249.14833	1.8
255.15819	2.5
267.15906	13.8
268.16028	2.3
269.17328	5.1
273.14786	3.0
277.14609	1.7
285.16888	8.4
287.18567	2.1
287.34863	1.7
299.18430	2.1
301.14252	3.0
313.16449	2.1
325.16418	4.7
355.17307	2.0
370.46411	1.7
375.18118	2.2
381.18903	5.8
387.64389	2.0
393.18912	2.9
403.24786	3.0
411.20129	2.7
413.21600	4.1
421.25797	14.4
429.26291	1.8
437.29092	2.7
439.26752	13.7
447.27362	13.6
453.28610	8.7
461.28781	5.0
463.26645	2.2
465.28110	3.7
479.29419	4.9
495.29202	1.9
497.31003	10.0
565.29419	2.2
573.30609	2.0
591.31482	3.0
609.32776	10.7
623.34143	6.3
641.34790	36.6
641.45844	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.2
55.01857	13.4
55.05258	6.7
55.05502	71.9
57.03431	17.5
57.07040	6.3
61.43089	3.7
65.03922	6.5
67.05496	100.0
69.03407	10.8
69.07056	46.1
69.18487	37.1
71.04985	21.2
71.08604	7.7
79.05480	99.7
81.03389	11.8
81.07047	98.8
83.04958	14.4
83.08611	29.8
85.02869	4.0
85.06547	6.1
91.05470	97.5
93.07033	89.1
95.04936	18.0
95.08582	64.3
96.70898	3.7
97.02879	8.3
97.06496	13.6
97.10168	38.8
98.21520	7.8
99.08069	4.1
103.05437	4.9
105.07017	75.3
105.07687	7.5
107.04949	10.8
107.08576	61.1
109.06504	10.9
109.10139	34.0
111.08012	7.2
115.05412	6.0
117.07004	44.7
119.08569	62.7
119.09377	7.5
121.06494	8.5
121.10112	30.1
123.08020	8.9
123.11642	8.9
125.09624	31.6
128.06221	6.8
129.06982	22.4
130.07668	3.2
131.08562	40.9
133.10110	50.5
135.08043	9.6
135.11627	18.8
137.09590	6.7
141.06984	10.0
142.07750	4.2
143.08537	25.7
145.06395	3.7
145.10091	40.4
147.11664	36.1
149.09557	11.7
149.13249	7.2
151.11176	10.1
155.08508	13.1
157.10103	20.4
159.08075	5.5
159.11668	27.1
161.09598	9.8
161.13297	20.4
163.07570	5.0
163.11153	7.6
167.08566	8.7
169.10103	14.8
171.11621	22.6
173.13245	17.1
175.14781	8.2
179.08630	4.0
181.10002	8.7
182.10925	4.8
183.11673	16.7
185.13254	14.8
187.14775	7.2
187.97911	4.4
189.11279	22.8
189.12773	5.5
193.10217	4.7
195.11623	8.3
197.13187	11.2
199.11116	4.1
199.14803	10.5
203.14294	6.5
209.13165	5.3
211.14813	12.1
213.16248	4.9
223.13145	8.9
223.15039	7.6
225.16432	7.0
227.12691	26.3
227.17982	5.5
229.19275	3.6
235.14857	5.5
237.16347	4.8
239.17926	8.2
241.19470	20.7
257.18930	13.7
259.20560	39.3
273.18460	13.2
275.20016	38.0
277.21738	6.2
285.22046	8.0
289.17969	12.3
291.16473	7.7
291.19510	83.5
312.01935	4.4
323.44464	3.7
333.24243	33.6
335.25711	13.5
363.21692	4.2
363.26578	6.4
365.23047	28.1
379.29919	7.9
381.28116	6.4
384.70343	4.0
433.61673	3.9
455.31693	3.8
529.35101	7.9
531.38171	8.0
541.34930	5.3
549.39563	5.6
567.39777	5.8
605.41827	18.1
609.44629	4.9
623.42981	91.4
641.27991	6.4
641.44476	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1492
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
57.03418	2.3
61.02922	6.3
68.99783	1.6
69.03422	4.1
70.06564	1.4
70.97756	0.8
71.04982	13.1
71.53045	1.2
73.02894	3.4
81.03417	2.1
81.75861	0.8
83.04939	1.3
85.02895	26.3
87.04480	1.1
91.03942	5.4
91.05400	1.1
97.02887	5.9
109.02867	1.9
111.00790	1.7
111.04397	1.5
119.04835	1.1
121.02847	1.0
123.04465	0.9
127.03882	3.5
129.05443	3.5
137.02330	2.0
139.03845	1.6
145.04926	2.6
147.04369	2.8
148.04716	0.9
151.03923	0.8
153.01804	14.3
163.03883	1.9
163.05991	1.8
165.01823	5.1
169.01251	5.4
177.05502	0.9
179.03401	2.0
181.01279	2.3
187.03917	1.3
191.03429	1.3
195.02869	1.0
205.05026	1.0
205.12645	0.8
215.03445	1.3
217.04907	3.5
219.02994	1.4
233.04395	1.9
243.02856	0.9
245.04469	4.2
245.06767	0.9
261.03925	3.8
271.02286	1.1
273.03931	4.1
289.03253	4.5
290.04031	1.2
301.03354	1.4
317.02896	1.7
319.04434	85.7
320.04889	1.9
331.04181	1.3
333.06049	1.1
335.03925	100.0
335.92441	1.1
336.04187	1.6
343.04318	1.0
361.05402	1.9
432.65939	0.9
481.10004	5.1
601.55524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19619	3.8
88.09702	0.3
91.05397	0.6
156.05017	0.3
292.86212	0.3
337.09546	0.3
365.35947	0.4
396.12195	1.7
397.13058	2.4
398.13788	0.9
399.14963	0.5
409.13028	0.5
410.13571	2.6
411.14465	5.4
412.15271	4.1
413.16043	2.6
422.14044	0.4
423.15305	2.1
424.11282	1.6
424.15436	2.2
425.16226	11.3
426.16876	8.7
427.17667	2.7
428.18546	1.7
436.15634	0.5
437.16168	1.1
438.13025	2.1
438.17422	1.5
439.13593	16.1
440.13867	1.6
440.19147	4.9
441.19235	38.0
442.19775	3.4
444.18115	0.3
450.12738	0.4
451.13562	0.5
452.14285	3.6
453.15240	18.6
454.15826	5.9
455.16699	0.7
457.14740	0.8
459.20486	0.5
463.05475	0.3
463.14120	1.0
466.12057	0.6
466.17624	0.5
467.17084	26.3
468.17819	17.8
469.18759	12.6
470.18771	1.3
471.16620	0.8
472.18066	0.5
478.16391	0.6
479.16840	0.7
480.17349	0.6
481.14600	12.9
482.15442	4.4
483.15826	0.6
485.18063	1.5
486.18851	0.9
494.17996	0.4
495.16574	2.0
495.20679	1.2
496.17169	12.4
497.17847	3.0
498.18857	1.0
499.19327	1.6
500.21115	0.4
508.19308	1.0
509.18219	3.1
511.19904	0.5
512.20679	1.3
514.22382	2.9
522.17694	0.6
523.19623	1.5
524.19873	0.6
526.18604	0.4
527.23633	3.0
528.23431	0.5
540.19598	0.7
542.21429	0.7
545.24255	0.6
551.19037	0.5
555.22345	35.3
556.22748	3.2
568.19330	0.5
582.20752	0.4
583.21832	100.0
584.22052	11.1
586.20245	0.4
587.25122	2.7
611.21472	2.1
614.23669	0.9
615.24438	13.7
616.24518	1.7
643.23871	60.5
644.24310	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	643.4044
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
53.03930	0.7
55.05497	1.8
57.07048	1.4
67.01856	1.1
67.05511	3.6
69.03404	0.7
69.07064	3.1
69.99706	0.8
70.00106	1.1
71.17826	0.4
79.05471	0.9
81.03400	1.0
81.07044	6.9
83.04976	0.9
83.08169	0.4
83.08586	2.3
85.02888	1.9
85.06526	7.4
85.07632	1.7
91.05471	1.8
93.07027	6.0
95.04956	1.3
95.08598	5.0
97.06495	0.5
97.10165	1.3
99.08096	0.5
103.99014	0.5
105.06987	0.8
107.08584	2.0
109.10149	3.9
111.08098	1.0
111.11707	0.6
119.08569	1.0
121.06475	2.0
121.10149	1.3
123.11676	1.8
135.11655	2.0
137.13251	0.9
139.07541	4.5
143.10619	1.6
149.05962	5.1
149.13220	1.2
151.07521	2.7
157.09999	0.5
163.14807	0.8
166.06235	1.0
167.07016	100.0
168.07362	2.1
191.10654	0.9
207.10150	0.8
217.16853	0.4
261.25842	0.6
279.26791	0.7
297.27829	7.8
304.23801	0.5
309.27759	1.4
415.31796	0.6
427.32184	3.4
445.33066	5.9
463.34201	8.9
464.34290	0.6
545.76453	0.5
643.27014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01865	9.7
55.05264	1.6
55.05503	23.5
57.03426	18.1
57.07048	1.8
58.24114	1.2
64.05011	1.4
65.03922	4.5
67.05494	65.6
68.49139	1.3
69.03399	3.3
69.07056	11.8
69.22057	12.0
69.22478	5.0
71.04974	3.1
79.05481	45.6
81.03397	3.7
81.06567	3.1
81.07043	53.2
82.07367	1.7
83.04954	3.8
83.08598	9.5
85.06524	10.5
91.05461	37.0
93.07028	43.0
95.04954	42.4
95.08590	33.5
97.06489	5.6
97.10146	6.1
99.08066	1.9
103.05469	2.3
105.04489	1.4
105.07009	28.0
107.04941	9.2
107.08574	30.8
109.06497	45.4
109.10120	11.3
111.08047	1.8
113.06000	22.1
115.05436	2.6
115.07574	1.5
117.06975	13.6
119.08558	21.2
121.06466	4.1
121.10122	14.9
123.08039	7.0
123.11658	3.1
125.09573	4.7
128.06158	3.0
128.39716	1.4
129.06999	8.5
130.07788	2.0
131.08543	18.8
133.06453	3.4
133.10098	10.5
135.07092	2.6
135.08038	34.2
135.11662	12.1
137.09587	2.9
141.06924	1.8
143.08536	8.7
145.06442	1.8
145.10098	13.6
147.08005	6.5
147.11664	5.0
149.09570	6.5
149.13202	4.2
151.11107	1.4
153.09052	1.8
155.08501	1.6
157.10123	9.3
159.08014	3.0
159.11639	7.8
161.09593	7.8
161.13202	3.1
163.11108	3.1
169.10168	2.8
170.74135	1.3
171.11618	7.0
173.09564	3.0
173.13210	5.1
175.11153	2.4
175.14807	2.3
177.12674	3.3
183.11685	3.0
185.13255	2.1
189.11284	3.7
195.11586	2.2
195.13705	1.4
197.13106	1.8
199.11215	1.5
199.14816	4.0
201.16318	1.5
210.77434	1.6
211.14813	1.8
215.75381	1.6
217.15866	11.9
223.13242	3.2
227.12711	4.7
227.17950	2.7
243.21082	1.8
245.19035	2.4
255.17305	3.6
261.22180	4.4
273.18448	31.6
273.66394	1.6
275.20053	1.8
291.19495	100.0
292.19757	2.6
309.20517	2.2
335.25754	38.7
336.25888	2.7
347.22049	4.7
365.23065	13.4
374.01312	1.7
545.38330	2.3
607.43402	4.0
625.34442	2.2
625.44525	35.4
626.44647	2.1
643.44696	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	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33177	2.2
53.03937	4.9
55.01870	10.7
55.05508	30.3
55.73635	1.9
57.03430	18.5
63.86319	2.2
64.44996	1.9
65.03925	5.7
67.05499	80.5
69.03419	2.7
69.07060	21.8
71.04973	5.6
71.53591	2.5
79.05055	3.9
79.05484	55.3
79.95100	1.8
81.03440	4.9
81.07050	73.3
83.04973	7.5
83.08605	12.0
85.06523	10.1
88.47714	2.0
89.44102	2.3
90.57769	2.1
91.05464	37.5
93.07035	52.3
95.04957	43.9
95.08597	43.1
97.06510	8.8
97.10146	10.3
103.35563	2.3
105.07016	27.6
107.04958	9.6
107.08594	32.7
109.05786	3.6
109.06509	54.8
109.10152	19.1
111.08061	3.4
113.06008	22.4
115.05447	2.1
117.06989	18.1
119.08576	26.3
121.06505	4.3
121.10130	21.4
123.08044	4.9
123.11687	5.8
125.09626	7.3
128.06212	3.5
129.06969	9.4
131.08554	19.1
133.06471	2.4
133.10127	16.8
135.08043	35.7
135.11670	16.1
137.13223	2.9
143.08563	9.1
145.10071	15.6
147.08029	6.7
147.11664	8.1
149.09605	6.3
149.13295	7.0
153.09195	3.3
155.08540	2.5
157.10120	5.7
159.08032	3.5
159.11673	9.4
161.09607	7.6
161.13254	3.4
163.11136	3.6
163.14771	2.4
169.10173	2.9
171.11659	6.4
173.09612	4.2
173.13228	6.4
175.11177	2.8
177.12778	2.1
179.14287	2.0
183.11604	5.3
185.13382	2.5
189.11179	4.5
189.12697	3.0
199.14801	3.3
200.43076	2.2
211.15102	2.5
217.15897	12.5
223.13336	2.3
227.12775	4.2
247.32056	2.1
255.17337	4.1
261.22037	4.8
273.18488	37.7
291.19525	100.0
309.20450	2.6
335.25745	72.7
336.26141	3.4
347.22235	8.1
365.23138	13.4
545.38593	5.1
607.43384	8.0
625.44556	47.7
643.45587	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	645.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
57.03408	0.7
61.02919	8.0
62.32141	0.4
65.03897	1.6
68.99754	0.6
69.03410	1.7
71.11634	0.8
73.02916	2.2
81.03395	1.0
82.08120	0.4
85.02895	7.9
91.03396	0.4
91.03941	4.5
91.05430	1.0
93.03372	2.0
94.11452	0.3
97.02885	4.4
99.04435	0.5
107.04889	0.5
109.02830	0.7
111.00780	0.8
111.04432	8.1
119.04930	0.6
121.02865	1.7
123.04356	0.4
127.03870	1.6
135.04330	0.6
137.02324	11.5
137.03323	0.6
137.05972	0.5
139.03885	22.5
145.04904	0.7
147.04367	0.6
149.02315	0.9
151.03934	0.3
153.01776	3.7
161.02284	0.6
161.05850	0.4
163.03902	3.4
165.01791	2.4
173.05865	0.4
177.01817	0.4
179.03281	0.5
181.01184	0.5
181.04959	3.1
183.02864	0.9
183.04428	0.6
187.03842	0.8
191.03310	0.4
191.89299	0.4
201.05460	1.9
203.03365	0.6
205.01242	1.8
207.02763	0.6
213.05519	0.5
217.01279	1.6
219.02910	0.7
229.04922	4.5
231.02933	0.9
241.04933	0.6
245.04475	0.7
247.05995	1.0
248.71324	0.4
253.04984	0.6
255.02904	0.9
257.04465	3.4
269.04379	0.6
273.03873	1.5
274.04645	0.9
281.04355	0.6
285.03943	1.5
299.05484	1.8
302.04160	0.8
303.04953	98.4
304.05255	1.8
309.03842	0.5
311.05524	0.5
313.03598	0.6
315.04834	0.4
321.07376	0.4
325.06931	0.7
327.05029	0.5
329.02841	3.2
329.06555	4.2
331.04224	1.8
347.03888	3.7
354.55457	0.4
355.04477	7.3
367.08398	0.5
373.05548	2.0
377.06564	2.0
395.07721	0.9
400.36652	0.4
405.06039	0.9
423.07053	13.9
424.07587	0.4
447.07892	0.7
465.08124	8.3
474.80618	0.4
483.09167	100.0
484.09695	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	646.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81302	1.2
55.01856	1.2
55.05510	6.2
57.03435	9.4
61.02913	2.1
67.05164	1.9
67.05497	30.8
69.07068	9.8
71.01353	1.4
71.04982	3.1
71.53839	1.9
72.03091	1.1
73.02878	1.0
74.09721	6.3
79.05043	1.8
79.05482	22.6
81.03394	3.5
81.07046	28.2
83.04982	7.2
83.08608	5.4
85.02891	2.5
85.06546	1.6
91.05478	9.9
93.07029	35.0
93.07619	2.1
95.04942	4.3
95.08584	7.3
97.02869	1.4
97.06511	6.4
97.10160	2.8
99.08077	1.3
104.05501	1.1
105.06994	2.4
107.04926	1.5
107.08584	18.0
109.06478	1.8
109.10118	3.2
111.08063	2.5
115.46188	1.1
117.06997	3.1
119.08540	2.4
121.06464	1.6
121.10150	6.8
131.08548	2.6
133.10106	4.2
135.11684	21.7
138.97258	1.1
145.10101	4.5
147.11617	1.3
149.02316	1.2
149.13231	9.5
153.12660	1.6
159.11668	3.6
163.11147	3.1
169.15353	1.0
181.12209	4.7
192.36169	1.2
195.13754	4.0
213.14885	1.2
230.61340	1.1
255.15898	31.9
266.44641	1.4
269.17450	27.3
269.20157	2.2
420.80518	1.4
429.11667	2.1
449.28943	100.0
450.29187	4.8
634.33069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01855	1.6
55.05505	10.8
57.03429	10.9
57.07064	1.5
61.02907	2.8
65.03951	1.0
66.20828	0.8
67.05499	36.2
69.03400	1.3
69.07053	11.1
69.96070	0.7
71.01337	2.7
71.04977	3.3
71.53044	0.7
73.02911	0.8
79.05486	28.2
81.03398	4.8
81.07050	35.7
83.04957	6.1
83.08605	6.6
85.02876	2.7
85.06531	2.9
91.03971	1.7
91.05470	12.5
93.07037	35.1
93.07623	1.8
95.04947	4.1
95.08595	9.1
97.02892	1.0
97.06503	8.4
97.10136	5.1
99.08096	1.3
101.73517	0.8
105.07033	4.4
107.04926	1.5
107.08588	25.2
108.01348	0.8
108.08902	0.7
109.06499	1.2
109.10127	3.9
111.08054	4.5
115.38505	0.8
117.07005	5.3
119.08575	2.9
121.06487	1.9
121.10120	8.0
123.11679	1.7
125.09613	1.4
131.08524	3.6
133.10132	7.2
135.08054	1.0
135.11678	26.5
145.10106	3.2
149.13239	6.2
153.12756	0.9
159.11694	3.1
163.11127	3.1
177.12741	1.8
181.12231	5.5
195.13805	4.6
199.13324	0.9
213.14905	1.2
255.15897	31.2
256.16278	0.8
269.17462	18.3
336.09280	0.9
346.08557	0.9
431.27664	1.1
449.28946	100.0
450.29483	4.5
668.87915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01874	0.7
55.05309	0.4
55.05503	4.4
57.03405	1.1
57.06784	0.7
57.07066	12.9
67.05492	10.7
69.03424	0.5
69.06744	0.5
69.07059	3.7
69.25399	1.7
69.25822	2.6
71.04993	0.6
71.08624	9.8
75.04468	0.4
79.05495	3.3
81.03406	31.4
81.07044	8.8
81.70975	0.4
83.04958	1.4
83.08606	8.5
85.06533	0.4
85.10177	5.2
91.05471	6.4
91.42461	0.4
92.56658	0.5
93.07005	2.5
95.04950	7.4
95.08591	9.5
97.10144	2.3
98.21570	0.7
105.07003	4.2
107.04942	2.4
107.08562	1.3
107.15086	0.4
109.06492	1.0
109.10155	4.2
111.08061	1.9
113.27236	0.4
117.07004	0.6
119.04922	0.4
119.08551	4.0
121.06484	0.8
121.10133	1.9
123.11694	1.8
124.01612	0.5
126.70967	0.4
129.06979	3.5
131.08519	2.6
133.06464	1.0
133.10109	1.3
137.13237	0.6
142.07741	0.7
145.10182	0.5
147.08035	1.2
147.11636	1.4
149.09631	1.5
157.10112	3.6
175.11159	2.9
193.12215	8.1
236.16464	4.9
239.23657	2.7
249.14757	2.1
267.15933	1.6
282.27972	1.5
313.27386	1.8
351.76657	0.5
493.01404	0.4
505.38800	100.0
506.39154	4.5
623.15656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30455	1.7
53.03939	2.7
55.05496	11.5
57.03426	3.2
57.07063	2.9
59.04981	2.0
61.02900	3.6
65.03925	2.4
67.05495	44.3
69.03410	8.0
69.07056	15.7
69.80998	9.2
79.05480	21.3
81.03396	3.1
81.07044	48.6
83.04963	4.3
83.08605	7.8
85.02895	23.9
85.06530	2.6
87.04425	2.5
91.05476	23.0
93.07030	50.3
95.04948	10.5
95.08594	100.0
96.08922	2.9
97.02876	7.9
97.06535	8.8
97.10161	4.3
99.04436	3.0
99.28970	1.7
105.07013	48.1
107.07859	3.2
107.08582	61.0
109.06494	5.9
109.10142	82.9
111.04449	2.1
111.08098	8.0
113.05975	5.3
117.07001	11.8
119.08564	63.3
121.06492	6.9
121.10126	49.4
121.10999	1.6
123.08053	20.2
123.11687	22.1
125.05972	2.1
125.09624	4.6
127.03847	4.7
128.06230	1.8
129.06985	7.4
129.09048	1.9
130.07834	2.1
131.08557	31.4
133.06523	3.4
133.10118	50.5
135.08038	10.2
135.11671	30.5
137.09583	17.0
137.13231	7.4
139.07474	4.8
141.09091	14.0
142.07780	2.1
143.08556	15.9
145.04938	4.9
145.06425	1.6
145.10097	40.0
147.08040	7.7
147.11670	39.8
149.09598	8.0
149.13225	11.9
153.09065	6.6
155.08549	5.1
155.10648	16.5
156.09312	3.0
157.10124	19.2
158.10808	1.7
159.08049	7.7
159.11679	36.3
160.12270	1.8
161.09660	14.0
161.13225	24.5
162.07628	3.6
163.11140	7.3
163.14832	6.2
165.09105	5.7
165.12796	2.7
167.10687	5.0
169.10069	10.3
171.11662	15.9
172.12407	2.4
173.09601	6.6
173.13242	30.5
175.11203	11.7
175.14774	16.7
177.09244	2.7
177.12704	4.0
177.16397	5.2
179.10625	5.9
180.08646	3.7
181.12216	10.8
183.11659	7.0
184.07321	2.3
185.09529	3.6
185.13245	11.9
187.11150	9.0
187.14835	21.5
189.12698	8.1
189.16382	7.4
191.10594	3.9
191.14220	4.4
191.17931	2.4
193.12210	4.8
195.11707	3.2
195.13748	4.2
197.13286	9.2
199.11182	4.7
199.14848	8.2
201.12706	7.9
201.16391	10.3
203.14264	5.4
203.17940	6.1
205.12225	3.6
205.15855	5.4
207.11972	2.6
207.13672	9.4
209.13326	4.1
209.15358	6.5
211.11176	1.9
211.14861	7.1
213.12720	3.8
213.16289	8.2
215.14276	12.1
215.17941	4.9
217.15817	4.4
219.13797	9.5
221.13434	2.4
221.15286	10.6
223.14822	4.8
223.16908	3.7
225.16350	5.1
227.14342	3.7
227.18024	3.1
229.15779	4.8
231.13818	3.2
231.17339	4.1
233.15337	27.2
235.16881	16.0
239.17747	2.2
241.15765	3.3
241.19547	2.7
243.17368	4.8
245.15471	3.8
247.16890	25.6
249.18578	9.4
251.17937	1.9
253.15936	2.6
253.19402	2.8
255.17381	3.5
255.20972	2.9
259.16895	7.0
261.18491	28.2
267.17508	2.9
267.21036	2.6
269.19150	3.3
273.18552	8.8
275.20010	9.9
281.18994	2.3
285.18484	2.6
287.20013	12.1
297.22058	2.3
301.21500	9.6
309.22162	5.4
311.23532	2.4
313.21646	3.9
315.23129	8.0
323.23508	2.0
325.21619	3.5
327.23090	13.8
329.24640	12.8
337.25174	6.3
341.24652	5.9
353.24606	2.6
355.26248	7.3
357.27905	1.9
391.25891	2.3
393.27570	2.9
397.28760	2.4
405.31592	12.4
415.30029	11.5
423.32532	25.4
433.30984	55.0
434.31256	3.8
451.32028	37.8
451.37671	1.3
469.33081	41.5
470.33179	3.4
648.43365	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	649.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37295	2.2
53.03937	12.7
55.01859	6.4
55.05503	25.9
57.03424	12.1
65.03918	5.0
67.05495	74.1
69.03424	20.3
69.07049	14.9
71.04984	5.9
72.02225	2.5
73.02882	3.0
73.06540	3.3
79.05479	100.0
81.03404	36.7
81.07047	56.8
83.04966	22.9
83.08620	12.0
85.02897	13.5
85.06509	3.1
89.18028	2.8
89.82240	2.3
91.05470	82.4
93.07028	80.4
95.04955	33.4
95.08589	35.6
97.02859	11.1
97.06523	9.0
97.10159	3.2
99.04469	2.5
105.04508	2.9
105.07011	55.1
105.08100	2.5
107.04920	15.4
107.08578	26.0
109.02886	5.4
109.06502	9.3
109.10141	3.5
111.04408	3.7
115.05434	5.1
117.06998	27.0
119.08539	32.1
121.06460	6.8
121.10138	9.4
123.04427	3.6
123.08049	9.6
127.03907	4.4
128.06219	8.3
129.05450	2.8
129.06985	31.3
131.04913	5.4
131.08533	24.0
133.06491	6.3
133.10121	13.8
135.08022	3.5
135.11725	5.3
141.06982	7.0
142.07782	4.3
143.08542	20.9
145.06468	6.8
145.10118	14.8
147.08058	4.8
147.11659	40.2
153.06943	2.8
155.08542	4.1
156.42293	2.5
157.06471	4.3
157.10133	4.9
159.08038	5.9
159.11639	6.4
161.09578	7.4
161.13226	17.1
163.11198	4.3
167.08560	5.7
169.10117	6.3
171.08041	8.8
171.11653	36.6
173.04468	9.1
173.09610	3.2
173.13135	2.5
177.12776	3.1
179.14220	2.9
181.10158	3.3
183.07983	2.9
183.11641	3.2
185.09560	2.6
185.13364	2.8
189.12740	18.3
203.14192	2.8
207.13737	38.5
223.14886	3.3
225.14825	5.7
233.15283	3.3
241.16002	5.2
251.14371	3.6
259.16949	3.5
269.15372	8.6
281.17438	56.8
287.16446	19.4
305.17361	2.9
309.16821	2.9
361.20178	3.2
386.36490	2.8
425.21646	6.2
487.30508	43.4
501.32220	5.8
567.32764	6.8
631.34375	8.5
649.36206	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	650.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73337	8.2
55.05489	15.5
62.65233	7.2
67.05495	30.0
68.22262	7.3
69.03407	11.6
69.07062	12.8
71.53906	13.7
75.43074	6.5
79.05482	24.4
81.07040	51.8
83.08580	9.2
84.24269	7.2
85.02898	24.6
86.09708	8.9
91.05484	20.7
93.07031	61.6
95.04969	14.2
95.08587	100.0
95.53110	7.0
97.06514	8.8
105.06992	40.2
107.08582	50.4
109.06476	13.1
109.10135	39.2
119.08539	55.5
121.10136	71.3
123.11703	24.1
133.10115	47.2
135.08052	9.8
135.11694	28.1
141.25131	7.7
145.10136	22.1
147.11691	28.5
149.09624	9.0
149.13237	17.7
159.11592	14.5
161.09595	8.6
161.13243	39.2
173.13295	16.6
175.11189	13.5
175.14853	12.0
180.08652	16.4
181.12228	9.3
184.07306	14.3
187.11073	9.3
187.14748	11.9
189.16367	17.1
213.16383	9.7
215.17902	8.7
217.15874	11.1
221.15379	20.9
223.16991	9.8
231.17438	12.6
235.16891	32.2
247.16985	14.4
249.18452	13.8
257.30173	8.5
267.17752	7.3
267.23233	8.0
343.26129	13.2
355.26312	9.2
420.66006	8.1
425.34097	22.2
435.32434	28.8
453.33597	46.8
471.34610	41.7
509.38705	8.3
580.72174	7.8
622.40076	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	650.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48524	3.4
55.05506	13.8
61.02906	3.6
67.05498	37.7
69.03416	8.8
69.07061	19.4
71.04976	4.2
71.53967	3.7
71.54338	3.0
79.05473	17.3
81.03398	7.3
81.06570	3.8
81.07046	65.9
81.57256	2.7
83.04971	6.9
83.08601	11.6
85.02899	23.2
85.06580	2.6
86.90984	2.8
91.05452	22.5
93.07033	54.1
95.04964	8.1
95.08595	100.0
97.02872	10.7
97.06522	11.3
97.10150	5.9
98.34005	3.0
98.34644	2.8
105.07019	36.5
107.08581	64.3
109.02837	4.9
109.06496	7.3
109.09444	4.5
109.10144	58.6
111.08044	8.4
113.06009	4.0
117.07026	4.4
119.08575	52.3
121.06464	5.7
121.10131	70.7
123.08063	10.8
123.11699	26.8
125.09630	5.4
127.03927	6.3
129.06967	4.0
131.08546	16.0
133.10124	45.5
135.08046	12.5
135.11668	32.0
137.09610	3.7
137.13248	4.1
139.11250	3.9
141.09082	4.3
143.08553	8.2
145.04915	9.2
145.10098	23.4
147.08008	7.5
147.11646	31.7
149.09598	8.4
149.13264	9.4
153.09117	4.3
157.10120	9.2
159.11674	27.0
161.09605	13.0
161.13239	43.0
163.11166	11.2
163.14742	3.6
165.09087	4.9
167.10649	6.1
171.11690	8.0
173.13208	20.6
175.11166	12.4
175.14784	17.8
177.16345	5.0
179.10576	7.8
180.08623	9.4
181.12239	16.1
183.11647	4.6
185.13188	9.3
187.11328	3.1
187.14793	11.1
189.12733	5.6
189.16377	14.8
193.15865	4.0
195.13751	8.7
199.14771	6.3
201.12741	3.9
201.16389	9.9
203.14273	7.1
203.17885	8.9
205.15810	4.5
207.13773	3.5
209.15382	9.7
213.16357	8.8
215.14343	5.6
215.18054	5.2
217.15900	13.3
219.17406	3.6
221.15434	16.4
223.16899	7.9
229.15868	6.7
231.17447	6.2
233.15373	6.7
235.16888	35.7
243.17401	3.9
247.17004	13.6
249.18475	14.2
256.44186	3.0
273.14676	3.3
275.19974	3.5
329.24796	8.0
339.26605	4.2
343.26303	17.2
355.26230	12.4
407.33093	8.0
417.30978	8.6
425.34201	20.0
435.32623	45.5
453.33484	39.4
471.34515	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	650.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06361	0.2
56.05028	0.5
57.07064	0.5
58.06593	0.3
60.08156	6.0
67.05485	1.0
69.62576	0.7
69.62986	0.7
70.03460	0.2
71.07365	3.4
71.07738	0.3
81.07069	0.3
83.08625	0.2
86.09693	32.6
98.98450	3.2
104.10728	2.7
109.10143	0.3
118.44196	0.2
124.99986	21.2
143.01022	0.4
154.49503	0.2
184.07315	100.0
185.07632	0.4
334.58331	0.2
494.70441	0.3
496.34003	0.3
509.38043	0.3
650.43878	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	651.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46000	3.8
53.03934	16.4
55.01860	5.8
55.05506	22.5
60.17886	4.1
62.86039	3.7
65.03905	4.7
65.73010	4.1
66.25674	3.5
67.05497	81.3
69.03426	24.2
69.07053	13.2
71.04984	42.1
71.54215	5.6
71.54673	6.1
72.07446	5.0
79.05477	77.5
81.03410	60.9
81.07044	100.0
83.04984	15.2
83.08584	9.1
85.02898	9.7
85.06525	10.6
91.05466	69.6
93.07038	63.7
95.04948	26.0
95.08598	30.6
97.02889	19.6
97.06493	7.0
97.10158	4.1
99.04452	6.3
105.07003	49.0
107.04942	11.8
107.08559	30.3
109.02872	15.0
109.06506	7.7
109.10149	15.4
111.04435	5.0
117.06998	11.5
119.08574	26.6
121.10098	11.8
123.08042	4.6
123.11703	12.5
127.03909	10.7
129.07001	16.5
131.08551	15.6
133.10106	26.6
135.04486	5.1
135.11642	7.8
138.18869	4.2
143.08563	10.5
145.10124	15.8
147.11662	28.7
149.13252	8.6
151.11172	7.1
159.11641	12.8
161.09566	5.5
161.13232	9.9
165.12770	4.7
171.11682	26.0
173.04491	13.8
177.12778	4.9
183.06479	5.5
187.13338	9.4
189.12717	7.5
195.13832	5.6
207.13762	28.3
225.14798	7.4
257.17719	5.4
281.17520	11.5
315.16251	4.2
339.17993	7.7
410.55988	4.3
449.28903	25.2
463.30438	15.1
465.87799	4.4
466.31165	5.3
475.30304	12.4
507.32675	11.0
619.34656	13.0
651.37213	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	31.7
57.03415	9.4
61.23975	3.7
67.05495	100.0
69.03410	18.3
69.07051	17.2
71.04975	12.8
71.53675	5.8
79.05482	27.9
79.16260	3.7
80.01801	4.0
81.02972	5.9
81.03409	61.1
81.07047	58.5
83.04967	23.7
83.08601	16.8
85.02870	5.2
91.05445	25.0
93.07015	22.1
95.04913	8.5
95.08598	43.1
97.02907	21.2
97.06466	4.5
97.10143	20.1
105.07026	19.3
107.08584	24.0
109.02848	7.3
109.10146	50.1
109.10831	6.8
111.04404	8.3
111.08099	5.1
117.06950	10.4
118.79106	3.9
119.08559	20.7
121.06425	4.3
121.10133	13.3
123.11695	10.1
125.09634	14.1
127.03856	11.0
129.05460	13.4
129.06973	8.2
131.08525	13.1
133.10104	9.2
135.11638	8.7
143.08495	6.1
145.10086	13.4
147.11673	5.9
149.13229	5.0
155.08501	4.4
157.10158	5.5
159.11693	5.8
161.13205	5.0
163.14900	4.9
169.10120	4.0
171.11671	6.7
173.11699	14.5
173.13142	8.1
173.29407	4.3
183.11530	6.0
189.11177	13.6
196.64368	4.5
227.12787	19.6
229.14285	22.5
245.13698	5.7
251.91658	3.8
261.22144	6.4
263.23694	5.0
335.25763	8.1
337.27188	11.8
348.19681	3.9
350.96814	4.5
369.24194	10.1
405.26297	7.3
431.68454	4.4
471.55463	4.9
572.88043	4.4
615.38629	5.0
633.39545	17.8
651.40778	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62889	3.9
53.03934	8.9
55.01866	7.1
55.05504	42.1
57.03422	12.8
67.05158	7.1
67.05498	100.0
67.30785	4.2
69.03417	32.7
69.07053	19.1
69.31541	4.4
71.54155	4.9
71.54533	4.5
77.05424	3.9
79.05486	35.6
81.03408	79.9
81.07053	80.5
83.04977	27.1
83.08609	18.5
85.02895	7.5
85.06528	5.1
85.73328	4.4
91.05472	29.0
93.07044	37.0
93.18281	4.3
95.04963	10.5
95.08594	42.2
97.02895	22.4
97.06519	4.5
97.10152	22.6
98.56242	4.1
99.04456	5.9
105.07022	15.8
107.08588	24.8
107.09191	3.9
107.56761	4.3
109.02845	10.7
109.06540	5.6
109.10146	51.9
111.04453	9.3
111.08086	6.5
116.07039	4.6
117.07009	13.2
119.08575	18.7
121.10150	19.1
123.11696	9.1
125.09624	19.8
126.09758	3.8
127.03914	9.7
129.05434	21.0
129.06964	6.8
129.86037	4.3
131.08543	14.4
131.81456	4.7
133.10107	19.6
134.55740	4.0
135.07977	5.6
135.11639	14.4
143.08521	9.2
145.06505	6.1
145.10112	10.5
147.11673	7.5
149.13283	4.9
150.50003	4.6
157.10149	6.5
159.11766	7.4
161.13275	6.3
169.10181	4.6
173.11769	11.9
173.13232	8.2
175.11258	4.4
185.13205	5.8
185.55133	4.7
189.11192	11.1
189.12692	4.9
223.21802	4.0
227.12714	19.0
229.14369	21.8
254.83014	4.5
259.20691	4.8
263.23657	10.2
335.25677	15.7
337.27338	14.2
369.24118	11.0
371.17087	8.8
373.18527	6.7
422.86874	4.4
443.28024	6.8
489.35577	6.4
500.48898	4.9
507.36691	7.8
555.72198	4.8
597.37390	6.1
633.39728	23.3
651.41010	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	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83274	1.8
52.66523	1.5
53.03936	9.0
53.85764	1.4
55.01853	4.2
55.05264	2.4
55.05505	38.1
57.03432	14.7
57.07069	8.8
59.04980	3.2
65.03925	5.8
67.05496	100.0
69.01511	1.7
69.03426	25.0
69.07062	20.9
69.45502	11.5
71.04975	6.3
71.08614	2.5
79.05486	34.1
81.03410	65.2
81.07047	65.8
83.04976	25.8
83.08612	16.0
84.08930	1.6
85.02886	4.5
85.06515	4.0
86.09694	2.5
91.05470	29.9
93.07030	38.3
95.04953	8.1
95.08597	45.0
97.02879	23.0
97.06507	2.7
97.10164	17.2
99.04432	6.3
99.32365	1.6
103.03910	2.4
103.05470	1.6
105.07006	20.7
107.04962	3.2
107.08580	24.0
109.02891	10.8
109.06510	3.7
109.10139	50.8
111.04450	10.2
111.08035	4.5
117.06998	13.4
117.83776	1.7
119.08569	19.0
121.06464	4.0
121.10124	15.5
123.08088	2.3
123.11703	12.3
125.09631	14.8
127.03880	10.3
129.05472	14.9
129.06955	8.6
131.08562	18.7
133.06451	3.2
133.10129	14.6
135.08032	4.1
135.11670	12.2
137.02266	2.0
137.09604	4.0
137.13266	3.3
139.11093	2.0
141.06955	3.0
142.07773	2.0
143.08569	8.0
145.06447	3.2
145.10127	10.5
147.08081	2.0
147.11659	8.6
149.09576	3.5
149.13225	6.8
155.08517	2.7
157.10114	6.1
159.08051	3.2
159.11649	7.1
161.09636	3.4
161.13171	5.0
163.11275	2.1
163.14778	3.3
169.10170	2.3
171.11639	5.0
173.09448	1.9
173.11705	13.8
173.13277	6.3
175.14771	3.4
176.79700	1.6
181.10078	3.0
183.11700	3.4
184.07314	3.0
184.93687	1.7
185.13177	5.6
187.14816	2.1
189.11209	13.3
189.12723	2.5
197.13124	3.4
199.14792	2.6
227.12703	15.2
229.14264	21.5
245.13876	4.9
259.20499	3.5
261.22107	6.9
263.23578	5.0
299.14709	3.8
301.21594	6.0
303.23077	2.0
335.25839	8.5
337.27277	17.6
341.24762	1.8
343.22818	1.6
345.24466	1.9
351.23068	4.0
369.24188	7.0
371.16885	5.3
373.18488	5.2
384.07571	1.9
387.24988	4.9
405.26212	3.7
413.38986	1.9
443.28217	2.5
461.28928	3.0
489.35403	4.9
505.35397	2.3
507.36560	4.9
573.37653	1.8
597.36890	3.4
597.99640	2.1
615.39008	6.0
633.39703	18.3
651.40814	18.3
653.38403	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	651.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01878	4.7
55.05263	2.6
55.05506	28.3
57.03430	13.2
57.07060	9.1
65.03925	4.6
67.05495	100.0
69.03415	26.1
69.07054	17.4
69.43211	4.1
69.43613	14.2
71.01330	2.4
71.04967	7.3
71.08601	3.7
76.60481	1.9
79.05482	33.0
81.03407	49.7
81.07043	70.4
81.07520	4.3
83.04958	19.8
83.08606	15.3
84.08959	2.2
84.46345	1.9
85.02892	5.9
85.06537	3.9
91.05463	31.5
93.07031	37.5
95.04961	9.0
95.08593	47.1
97.02872	15.6
97.06486	4.7
97.10146	12.8
99.04419	4.2
99.08076	4.2
105.07023	20.7
107.04923	3.7
107.05640	1.8
107.08581	25.9
107.35908	1.9
109.02873	10.6
109.06513	5.7
109.10143	59.6
111.04424	8.9
111.08063	4.9
112.40650	2.1
117.07011	8.3
119.08582	20.0
121.06503	3.6
121.10116	15.1
123.08034	2.5
123.11697	7.7
125.09600	12.2
127.03898	11.2
128.06210	3.1
129.05478	9.6
129.06989	7.5
131.08575	18.3
133.06488	2.7
133.10065	11.4
135.08049	4.2
135.11673	11.3
137.09579	7.3
139.11046	2.2
143.08540	7.5
145.10074	10.2
145.84573	2.0
147.11693	11.4
149.09601	3.7
149.13214	6.6
153.09111	3.1
155.08540	3.5
155.10696	2.4
157.10101	7.2
159.11685	8.9
161.09567	5.1
161.13240	5.7
169.10103	2.4
171.11679	5.9
173.11720	20.7
173.13223	5.7
175.11079	2.6
175.14857	2.8
177.12770	2.1
179.10579	2.2
184.07219	3.6
185.13213	2.0
189.11205	10.0
197.13222	2.3
199.14816	2.3
213.12738	2.4
223.14838	2.0
227.12611	12.7
229.14313	31.0
245.13771	5.7
261.22153	4.7
263.23672	2.7
273.21921	2.4
277.21765	2.9
301.21585	5.2
313.27628	2.1
333.24097	2.8
335.25821	7.1
337.27286	9.5
341.24796	2.1
345.24106	2.5
351.23233	3.1
369.24265	12.4
371.16861	6.6
373.18588	6.0
387.25378	4.0
391.28772	2.3
405.26239	2.8
461.29129	4.2
479.30133	4.9
489.35492	8.0
559.35663	2.3
597.37616	4.9
615.39001	9.1
632.02277	2.0
633.39734	15.7
651.42633	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	653.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91735	12.9
58.04776	13.6
59.06091	21.7
71.54839	27.8
83.08553	13.6
114.94339	15.2
121.52122	16.0
123.67813	16.8
162.36378	17.0
175.31885	18.3
258.29935	15.5
267.11349	28.1
524.67554	19.7
552.01868	18.5
565.24835	17.1
604.69336	18.9
620.26624	83.8
621.23749	27.8
635.24677	32.3
653.28894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3518
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.02378	2.4
53.03931	13.7
55.01857	7.6
55.05505	28.3
57.03429	12.9
65.03921	4.6
66.41568	2.4
67.05492	55.2
69.03422	16.8
69.07066	12.7
69.41203	21.5
71.04976	10.0
77.03882	2.3
79.05481	77.7
81.03403	100.0
81.07046	48.6
83.04546	3.5
83.04976	32.5
83.08596	22.2
85.02892	18.4
85.06487	4.4
91.05467	67.7
93.06464	4.3
93.07027	58.3
95.04959	35.5
95.08047	3.1
95.08592	24.0
97.02882	16.3
97.06529	5.6
97.10161	5.1
99.04450	2.8
105.07018	44.4
107.04946	12.8
107.08559	24.4
109.02847	9.6
109.06492	6.8
109.10118	8.7
111.04404	11.1
111.08054	10.2
115.05433	3.9
117.07001	12.3
118.49785	2.3
119.07775	3.5
119.08571	38.4
119.13415	2.2
121.06464	5.7
121.10117	10.6
123.08039	6.5
127.03883	7.5
128.06175	3.8
129.05489	5.5
129.06993	26.9
129.19032	2.2
131.08546	17.9
133.06476	4.1
133.10117	16.4
135.11636	3.0
142.07744	2.8
143.08556	10.4
145.10088	8.8
147.07950	3.6
147.11671	32.6
149.09615	6.3
150.22380	2.4
153.12669	2.9
155.08435	3.0
157.10130	13.2
161.09560	3.4
161.13223	9.6
163.11150	5.6
165.12769	3.5
171.11687	20.3
173.04420	2.6
175.11159	13.0
184.61473	2.4
189.12720	7.2
191.10641	2.8
193.12190	33.9
207.13774	26.8
211.13254	49.8
227.12741	5.6
241.78564	3.3
267.15854	39.4
269.15320	5.3
281.17441	51.3
283.15158	2.9
285.16882	12.8
287.16443	3.8
355.17221	4.4
404.23816	2.3
429.21231	18.1
461.98642	2.6
473.28900	88.2
474.29654	2.5
491.29880	25.3
635.33990	42.7
653.35065	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	653.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.7
53.03939	15.7
55.01875	15.7
55.05501	34.6
57.03428	17.3
57.07059	3.8
61.02892	2.9
64.72879	3.6
65.03918	7.0
67.05496	79.7
67.05859	3.9
69.03419	30.6
69.07055	16.4
71.04992	10.9
71.57683	5.1
79.05479	70.6
81.03407	100.0
81.07050	80.0
83.04978	35.3
83.08611	21.2
85.02886	17.6
85.06534	5.1
91.05467	67.0
93.07030	67.5
95.01313	20.0
95.04955	47.1
95.08588	34.3
97.02882	24.8
97.06532	14.3
97.10174	10.8
99.04459	5.3
105.04524	3.1
105.07017	48.5
107.04955	18.0
107.08575	30.6
109.02899	12.7
109.06514	11.7
109.10140	22.9
111.04436	13.1
111.08069	12.1
117.06998	16.1
119.08560	36.2
121.06508	10.4
121.10133	14.0
123.04400	5.0
123.08092	7.2
123.18394	2.6
125.09653	6.7
127.03932	8.9
127.07523	3.0
128.06245	3.3
129.05486	6.7
129.06985	21.6
131.08553	18.4
133.06554	4.1
133.10159	19.3
135.08032	4.9
135.11690	11.8
137.09688	4.3
143.08592	7.3
145.06477	5.6
145.10117	13.6
147.08078	7.0
147.11671	33.4
149.09630	8.9
149.13219	6.3
151.11159	3.2
153.12753	5.2
155.08566	3.8
155.44867	3.5
157.10114	9.9
159.11632	4.2
161.09560	5.3
161.13205	5.7
163.11168	14.1
165.12770	3.4
171.07996	4.0
171.11705	14.0
173.04533	4.1
173.11787	7.7
175.11183	10.0
177.12743	4.6
181.12259	5.0
189.12766	5.5
191.10686	6.2
193.12244	29.2
195.13913	4.5
201.12881	3.2
207.13783	22.9
209.11787	6.3
209.25479	3.2
211.13257	34.7
223.13145	3.5
227.12793	12.9
229.14363	8.9
267.15857	24.7
281.17487	41.5
283.15326	7.5
285.16946	12.5
287.16449	3.7
337.16425	4.2
355.17612	5.9
397.57404	3.6
423.27399	6.1
429.21136	7.6
473.28964	52.4
491.29922	17.0
615.16309	3.5
635.34052	25.3
653.32709	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	655.1857
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
57.03434	2.1
60.64531	0.3
61.02933	1.3
61.03182	0.3
61.33037	0.3
65.03923	0.3
65.52505	0.3
68.99766	0.3
69.03402	0.4
69.80312	1.7
70.53146	0.3
71.01347	0.4
71.04985	12.3
73.02890	0.9
81.03384	0.5
83.04961	0.6
85.02897	14.8
86.06082	0.3
87.04421	0.5
91.03944	1.0
97.02876	1.1
107.29471	0.3
109.02873	0.3
111.00774	0.4
111.04371	0.5
115.46292	0.3
119.02069	0.3
121.02882	0.5
127.03893	0.5
129.05472	3.4
135.04405	0.4
137.02307	0.9
139.03882	2.4
145.04950	0.3
147.06497	1.0
150.03137	0.3
153.01817	4.8
153.05446	4.0
154.06169	0.6
163.03905	0.8
165.01825	2.4
167.06996	0.4
178.02635	0.3
181.04909	1.5
183.02882	0.6
207.06526	0.6
213.05383	0.4
216.04208	0.3
216.36563	0.3
229.04935	0.8
230.05736	0.7
231.06468	0.6
232.03609	0.3
241.04939	0.5
243.02989	0.6
244.03711	1.0
255.02866	0.6
257.04480	0.9
258.05243	4.2
259.06073	2.0
269.04431	1.6
272.03110	0.6
283.02371	0.4
284.03281	0.4
285.03998	1.2
286.04684	4.2
287.05466	7.7
289.03537	0.5
291.08682	1.8
297.03842	0.4
300.02499	0.3
302.04300	0.4
303.04919	1.9
313.03519	0.3
314.04068	1.1
315.04904	2.3
317.02734	0.5
318.07169	0.6
331.04459	3.9
332.05200	2.4
347.07565	100.0
348.07843	3.2
359.07449	0.3
393.37033	0.3
413.09024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2751
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.01867	0.9
56.24504	0.7
57.03429	0.9
59.29367	0.7
67.05495	2.9
69.07056	1.0
71.53729	1.2
71.54078	0.8
79.05486	2.7
81.07055	3.2
82.71538	0.7
91.05470	3.2
93.07034	2.7
95.04959	1.7
95.08588	1.9
97.10153	0.8
98.70606	0.7
105.07008	1.8
107.04923	1.1
107.08572	1.2
109.06535	1.3
109.10187	0.7
117.07053	1.3
119.08591	1.9
126.49072	0.7
129.07019	1.4
133.10104	1.6
145.06516	0.8
145.10143	1.2
147.11595	0.9
162.96312	0.7
275.20081	1.3
291.19547	1.1
377.17505	0.8
405.16949	2.3
405.21283	1.4
407.22263	3.0
418.17880	1.9
419.18274	4.9
420.19318	1.7
421.20358	1.9
432.18970	0.9
433.20328	7.0
434.21152	4.5
435.21844	6.0
446.21158	0.8
447.17545	1.4
447.22595	1.0
449.19757	2.1
461.19769	1.6
462.20541	3.3
463.21353	3.1
465.19235	1.3
475.21524	0.9
493.23468	0.7
520.25214	1.0
521.25708	7.9
523.26746	0.8
549.24945	10.5
552.23932	0.8
565.24567	1.6
577.24213	6.9
580.26447	0.9
581.28113	0.9
595.25391	5.2
609.27051	7.2
637.26556	6.4
655.27521	100.0
656.27698	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	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
67.05494	1.0
69.07058	0.5
72.63712	0.3
79.05483	0.9
81.07040	1.3
83.08629	0.3
86.97665	0.3
91.05484	0.7
93.07038	0.6
94.23482	0.3
95.04951	0.4
95.08580	0.6
105.07037	0.6
107.04931	0.3
107.08543	0.4
109.10107	0.4
117.07008	0.5
119.08598	0.4
131.08556	0.5
133.10114	0.5
145.10022	0.3
163.56276	0.3
165.17200	0.3
175.11111	0.3
179.91103	0.3
191.54939	0.3
201.56825	0.3
229.01239	0.3
273.18475	0.4
291.19476	0.7
367.37604	0.4
377.17484	0.5
391.19150	1.3
392.19986	0.7
393.20667	0.7
405.16333	1.7
405.21533	0.7
406.21484	1.0
407.17963	0.2
407.22318	4.0
408.22900	0.4
418.17700	0.5
419.17990	3.0
419.23309	0.7
420.18588	1.6
420.24094	0.5
421.20129	1.2
432.19159	0.4
433.15628	0.4
433.20584	5.8
434.16003	0.3
434.21146	5.1
435.21774	9.0
436.22324	1.1
446.20929	0.4
447.17731	1.6
447.23245	1.8
448.17923	0.7
448.23190	0.8
449.18808	1.7
459.22198	0.5
460.22620	0.4
461.19568	1.3
461.24194	0.9
461.28860	0.4
462.20328	5.6
463.21103	4.9
464.22299	0.7
475.21371	1.8
476.22034	1.1
477.22928	1.4
478.23563	0.5
479.20294	0.5
481.67087	0.3
489.22842	1.1
493.22015	0.6
494.22949	0.4
495.23657	1.6
505.22360	0.4
507.23987	1.1
508.24527	2.4
509.25534	1.6
517.22302	0.5
520.24628	0.5
521.25671	12.7
522.25391	1.0
535.27454	0.7
540.27356	0.5
549.24933	20.6
550.25537	1.6
553.24768	1.1
563.26453	3.1
564.26782	0.6
577.24548	0.7
580.25238	0.6
581.27759	3.4
595.29254	10.0
596.29730	1.3
607.29559	0.6
609.26971	11.8
610.26996	0.8
623.28583	1.4
624.28589	0.5
637.40411	0.5
655.31104	100.0
656.31567	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	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
51.63741	1.8
53.03934	9.1
53.95373	1.4
55.01860	14.4
55.05505	32.9
57.03429	20.9
57.07056	5.1
59.04977	2.2
61.02904	2.2
65.03930	4.1
66.91208	1.4
67.05495	56.1
69.03419	30.3
69.07063	15.2
69.81297	5.2
69.81702	3.0
71.01357	3.9
71.04978	13.0
73.02901	6.3
75.47038	1.5
79.05480	46.8
80.06291	1.8
81.03406	100.0
81.07045	50.9
83.04965	22.4
83.08606	26.1
85.02885	24.3
85.06509	2.2
87.04449	1.6
91.05468	46.2
93.07027	32.0
95.04956	37.4
95.08597	16.8
97.02873	37.6
97.06532	8.2
97.10150	12.7
98.21475	2.0
99.04452	8.6
99.08085	1.7
101.02345	2.4
105.07009	22.7
107.04939	16.8
107.08577	16.3
109.02867	16.1
109.06508	8.8
109.10133	24.8
110.72563	1.4
110.80187	1.5
111.04430	12.3
111.08074	11.8
113.05981	3.3
115.03893	2.5
115.05389	2.5
117.07014	6.9
119.08561	23.1
121.02865	1.7
121.06503	6.6
121.10121	12.9
123.04422	4.7
123.08031	7.3
123.11700	5.1
125.02339	1.5
125.09612	10.9
127.03905	10.9
127.11227	2.8
129.05460	4.7
129.06982	10.2
131.08565	17.5
133.06450	4.5
133.10117	13.3
135.04396	4.4
135.08015	2.8
135.11670	6.0
137.05946	4.2
137.09523	2.7
139.03925	2.0
142.07759	2.7
143.03394	2.8
143.08537	1.7
145.06416	1.8
145.10080	9.3
147.08046	5.3
147.11667	16.5
149.09615	7.1
151.07489	2.7
153.05457	3.7
153.09093	1.8
153.12694	3.8
154.05630	1.5
155.08580	1.5
157.10100	13.1
159.11638	3.6
161.06009	2.7
163.11150	10.8
165.05429	2.0
165.12715	4.9
167.07085	2.7
171.06552	3.0
173.04411	7.1
173.09558	2.8
173.11740	4.8
175.11168	12.2
177.12764	2.3
181.12164	5.2
187.11162	2.7
189.11230	5.1
191.10657	5.0
193.12231	41.5
199.06088	3.1
209.11615	9.2
211.13266	46.5
223.13214	3.2
227.12746	12.7
229.14334	11.6
235.13280	2.3
247.13231	1.9
265.14316	1.7
267.15823	16.6
283.15402	5.8
285.16980	5.2
301.16647	3.3
307.15417	2.1
319.15659	1.6
337.16718	2.5
355.17212	2.7
409.18484	2.4
411.20261	2.2
421.25867	8.1
427.19565	3.3
439.26886	10.2
461.28848	1.9
475.26770	5.3
477.28592	2.2
493.27905	7.6
508.73737	1.6
511.28964	1.8
529.33643	1.8
637.31287	7.2
655.33038	16.5
682.33417	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	655.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44596	1.3
53.03943	7.1
55.01851	5.6
55.05251	2.2
55.05502	24.7
57.03429	12.4
57.07055	2.1
59.04971	1.5
60.57526	1.4
65.03915	4.2
66.76102	1.5
67.05497	65.5
69.03427	20.6
69.07057	11.2
70.78849	4.0
71.01348	1.5
71.04984	44.6
79.05051	2.5
79.05483	43.0
81.03407	100.0
81.07043	91.9
82.07350	1.5
83.04972	23.3
83.08610	21.0
85.02894	21.2
85.06532	10.0
91.05468	57.8
93.07024	37.0
95.04954	33.2
95.08589	19.3
97.02882	14.8
97.06522	10.3
97.10159	6.2
99.04433	5.5
99.08055	2.0
105.07015	34.4
106.45865	1.7
107.04955	9.0
107.08584	16.9
109.02858	19.6
109.06489	7.8
109.10146	10.3
111.04423	11.7
111.08060	9.7
113.06020	3.7
117.07004	9.0
119.08564	19.7
121.06506	5.4
121.10123	13.5
123.04433	3.4
123.08035	3.4
123.11688	12.7
123.47319	1.8
125.05949	1.8
125.09596	3.5
127.03909	9.6
129.05447	3.5
129.06978	11.5
131.04962	1.9
131.08536	16.7
133.06476	3.0
133.10118	22.1
135.08003	1.7
135.11687	5.9
137.05989	2.4
142.88229	1.8
143.08530	3.3
145.06383	2.8
145.10106	4.5
147.08043	4.4
147.11661	18.6
149.09593	5.7
149.13229	6.7
151.11180	8.3
157.10132	11.5
159.11661	5.5
161.09529	1.9
163.11133	3.2
165.12723	5.5
167.06976	2.1
167.14194	1.5
169.12202	2.3
171.06519	2.4
171.11708	1.7
173.04564	7.4
175.11186	13.8
177.12680	7.1
183.13759	5.7
187.11751	2.1
187.13251	13.3
189.11169	2.2
193.12224	30.8
195.13759	4.1
201.14905	4.5
211.13266	50.7
225.14729	2.7
227.12766	4.5
233.76280	1.8
249.14874	3.3
257.17499	4.0
267.15848	11.3
269.17322	4.7
273.14700	2.5
285.16925	6.0
295.15344	1.7
299.18500	4.2
301.14380	3.5
303.15927	1.9
309.16736	1.9
321.16739	3.0
339.17920	6.0
351.17688	1.7
355.17532	1.6
375.17889	3.1
395.20520	5.2
411.19864	2.0
417.26093	1.7
427.23172	4.0
431.97577	1.5
435.27460	13.6
443.27701	3.4
453.28363	13.2
461.29047	16.1
467.30319	8.8
479.29871	4.7
511.32660	10.5
605.33032	4.7
623.34143	14.7
637.35406	5.5
655.36707	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	655.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01867	11.9
55.05500	43.4
56.68213	4.5
57.03416	15.5
59.41133	4.8
67.05495	81.8
69.03424	20.0
69.07066	26.1
71.04978	21.2
79.05488	63.5
81.03406	65.2
81.07039	64.2
83.04961	33.4
83.08621	18.6
85.02899	17.9
85.06559	7.6
87.01778	5.8
91.05473	63.4
93.07034	57.0
95.04957	32.4
95.08615	36.1
96.19244	4.7
97.02885	16.2
97.06531	8.1
97.10175	12.7
101.69427	4.8
105.07020	51.5
107.04935	11.0
107.08580	34.2
109.02874	6.0
109.06459	10.0
109.10135	25.5
111.04454	5.2
117.06995	17.2
118.19793	4.5
119.08559	41.7
121.06451	14.5
121.10134	16.2
123.08058	9.2
125.09602	10.7
127.03896	8.2
129.05449	10.1
129.06979	15.8
131.04849	6.0
131.08565	32.3
133.06464	7.3
133.10124	17.2
135.08075	7.1
135.11644	14.4
141.06969	5.9
142.07832	5.0
143.08548	14.4
145.06459	7.8
145.10104	18.9
147.08067	11.2
147.11679	19.9
149.09598	11.0
149.13248	5.5
155.08572	10.5
157.10091	15.7
159.08086	8.9
159.11786	8.9
161.09537	7.5
163.11143	11.0
171.11649	16.4
173.04492	16.9
174.34200	4.7
183.11674	6.5
185.13123	6.6
189.11186	8.6
193.12268	11.9
195.13805	7.0
196.76575	5.0
197.13281	8.1
199.14734	7.6
199.59265	5.4
207.13768	7.8
211.13266	10.2
225.14702	5.2
227.12747	7.0
267.15878	6.9
281.17468	16.2
351.22955	11.6
369.24252	18.1
371.39587	5.7
387.24930	12.6
431.28113	6.1
435.27313	21.8
437.28888	6.2
443.28052	27.3
461.28879	100.0
493.31659	22.2
504.25760	5.4
605.33875	7.8
637.35327	11.3
655.36725	11.1
680.55920	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	656.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.34040	1.0
57.03443	5.6
57.03685	1.3
59.06102	2.7
61.02924	5.7
69.03419	6.8
71.01334	2.4
71.52816	1.6
73.02914	18.1
81.03404	3.7
84.04500	1.5
84.16507	1.0
85.02901	10.5
86.72860	1.1
91.03915	3.7
97.02886	10.6
99.04467	1.0
107.23418	1.0
109.02874	1.7
109.74339	0.9
111.04445	1.1
115.03918	4.6
118.06493	1.0
127.03894	4.3
133.04967	1.6
135.04387	2.0
137.02328	100.0
137.03354	4.0
138.02663	1.3
145.04988	1.8
146.05975	1.6
147.04366	1.6
151.03911	1.4
153.01831	8.9
157.57375	0.9
161.02199	1.1
162.05426	1.1
163.03906	3.8
163.05963	1.2
164.07039	2.1
165.01820	3.1
167.03435	1.4
173.26581	1.0
178.04993	1.3
179.03328	3.4
181.04929	1.9
190.04993	2.9
191.03345	3.7
192.06410	0.9
194.04512	2.6
201.05487	1.2
201.88591	0.9
207.02881	2.4
208.06065	4.9
209.04433	4.5
217.04898	2.9
218.04454	1.5
229.04922	3.4
232.83733	1.0
236.05460	1.3
245.04431	3.4
253.04968	2.5
257.04489	2.1
271.06000	2.3
273.03906	9.6
275.05420	2.7
280.06238	1.0
281.04401	3.0
285.03864	1.8
298.07159	2.7
299.05246	5.4
301.03485	11.1
301.06842	1.6
302.06613	1.9
303.04959	33.5
304.05295	1.2
309.03928	1.2
316.08096	6.2
317.06384	1.7
318.05984	1.7
319.04456	22.7
320.04742	2.5
326.06525	5.9
327.04947	40.7
344.07614	61.0
345.05923	28.0
362.08664	26.2
422.27557	1.0
458.63376	1.2
506.12952	1.4
524.13812	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	656.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03178	1.7
53.03933	3.2
55.01854	4.7
55.05255	1.5
55.05504	26.0
57.03424	5.1
61.02903	3.4
65.03917	1.4
67.05159	2.2
67.05493	26.1
69.03405	5.7
69.07066	7.5
71.04977	3.6
76.86014	1.3
79.05482	26.7
81.03415	7.4
81.07049	26.3
82.03718	1.6
83.04964	5.8
83.08614	17.9
85.02883	4.4
85.06507	1.8
91.03967	1.6
91.04942	2.4
91.05468	26.7
93.07042	13.8
95.04961	6.0
95.08588	8.4
97.02875	3.2
97.06480	2.3
97.10154	31.0
99.08041	1.5
103.05454	12.1
105.03389	1.2
105.07012	19.7
105.73968	1.2
107.04924	3.7
107.08076	1.3
107.08592	13.4
107.86978	1.4
108.08885	1.6
109.06492	2.3
109.10134	5.8
111.08047	3.2
115.05413	6.4
117.07001	31.1
119.07906	1.1
119.08583	12.3
121.06503	2.6
121.10114	5.1
123.08093	1.7
125.09613	27.0
128.06207	2.5
129.06979	16.5
131.04944	1.9
131.08548	24.8
133.06468	6.6
133.10109	4.1
135.08043	6.2
135.11716	1.4
141.06953	5.5
143.08565	10.0
145.06429	7.6
145.10129	8.1
147.01949	1.2
147.08034	3.0
147.11670	1.8
149.09566	3.4
150.15135	1.4
153.06978	1.9
153.09074	2.5
155.08534	8.1
157.06438	2.1
157.10104	5.7
159.07991	2.3
159.11681	3.6
161.05865	1.6
163.11069	1.6
167.08537	3.6
169.10088	6.1
171.08023	3.4
171.11639	4.6
173.09654	1.7
173.13246	2.4
181.10194	1.9
183.11618	3.1
187.11150	1.7
187.14757	9.3
189.11162	10.9
189.12665	1.9
193.12183	1.6
195.11702	2.0
197.13200	10.6
209.13152	2.4
213.12724	3.7
215.14285	35.6
218.35818	1.4
221.13187	1.7
223.11165	2.1
227.12708	18.2
227.14592	2.0
237.12685	2.3
241.12202	1.6
257.15454	1.8
271.16913	2.1
283.15433	2.3
339.23334	2.0
349.21582	5.3
357.24380	1.6
367.22614	16.0
385.23648	8.7
403.24564	3.6
413.21631	1.9
441.26312	53.7
442.26428	2.0
459.27359	100.0
460.27631	4.4
461.29349	1.6
462.29129	2.3
477.28342	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05493	2.3
57.03440	2.5
65.03918	2.0
66.91636	1.1
67.05514	5.6
69.03400	1.7
69.07077	1.8
70.74039	1.2
70.77396	1.1
71.04991	1.3
71.54804	1.8
79.05484	10.6
81.03413	5.4
81.07057	7.0
83.04960	2.3
83.08634	1.3
85.02876	3.3
85.06517	1.8
91.05468	21.7
93.07057	5.6
94.04188	4.3
95.04993	6.2
95.08585	4.6
97.02879	2.0
97.06526	1.3
101.07118	1.6
103.05466	5.2
105.07031	9.8
107.04942	7.1
107.08589	4.2
108.05753	1.5
109.02895	1.6
109.06525	4.5
109.10182	2.5
111.04428	1.8
115.05418	7.2
117.07020	4.7
118.04142	2.5
119.04950	9.0
119.08585	3.5
121.06495	9.8
121.10145	2.9
122.03631	10.4
123.04427	2.1
123.08044	4.6
123.11703	2.5
127.03906	1.7
128.06230	2.8
129.07014	8.2
131.04929	9.6
131.08580	3.5
133.02844	2.0
133.06505	3.6
133.10136	2.2
134.03642	1.8
135.04391	2.7
135.08054	5.7
135.11719	1.8
136.05197	3.3
137.05963	99.3
137.09581	1.7
143.04919	2.5
144.05699	1.8
145.06473	5.2
146.03618	3.9
146.07237	2.9
147.04398	5.0
147.08028	3.1
147.11746	1.9
148.05193	2.9
149.05974	13.0
149.09645	2.6
149.13240	1.2
150.06776	1.4
151.03918	3.1
151.07530	57.6
153.06902	1.4
157.06483	5.7
159.08055	3.4
160.05147	2.3
161.05969	100.0
161.09593	19.4
162.06444	1.7
163.07529	11.9
163.11238	2.2
165.05730	1.3
165.06985	4.9
165.09045	11.0
167.07037	3.5
167.08549	2.6
169.10059	1.5
171.07980	1.4
174.06775	4.1
175.07535	34.4
175.11108	1.7
176.08113	1.8
177.06985	1.6
177.09109	8.9
178.07790	1.7
179.07112	1.9
179.08568	5.1
181.04951	1.6
181.06512	2.8
182.07283	2.3
183.08044	1.7
187.07489	8.3
189.07243	1.3
189.09084	42.7
190.09456	1.2
191.06989	2.5
191.08577	2.9
191.10677	7.3
193.06480	3.9
193.08504	2.6
193.10126	1.4
193.12326	1.6
194.07259	4.5
195.08107	3.1
195.10168	13.8
197.09578	1.7
199.07549	2.2
201.05377	1.8
201.09033	2.0
203.08655	1.7
205.06451	3.4
205.08583	3.3
205.12082	2.3
206.07213	3.1
207.08075	3.6
207.10138	41.3
208.08794	1.7
209.09598	3.1
209.11534	1.9
210.06647	2.8
211.07553	4.1
211.13338	1.4
213.09128	2.0
218.07263	2.5
219.08052	4.3
219.10071	2.6
221.05936	7.5
221.09489	2.7
222.06714	3.5
223.07524	3.4
224.08287	2.8
225.09045	6.2
226.06294	1.4
227.06955	2.0
227.10583	1.5
227.12738	1.4
231.08000	2.1
233.06046	3.3
233.09390	1.3
234.06668	6.0
235.07462	6.6
236.08199	1.5
237.09102	9.1
238.06163	2.7
238.09738	1.3
239.07030	2.8
239.10620	1.5
240.07796	2.3
241.08588	1.3
245.05991	1.3
245.09595	1.6
247.07570	3.9
248.08336	2.9
249.05409	1.9
249.09076	7.1
250.06281	2.5
250.09613	1.4
251.07053	4.2
251.10611	2.9
252.07637	2.2
253.08528	7.2
254.09262	1.6
255.06514	2.1
255.10168	1.9
260.08279	1.8
261.09024	3.4
262.06244	2.9
263.07004	2.8
263.10623	3.4
264.07928	3.3
265.08511	17.3
266.09375	2.9
267.06671	1.5
267.10196	5.9
267.15793	2.0
268.07224	2.4
269.07999	2.5
270.08951	5.7
271.09750	2.8
273.08856	2.4
275.07071	2.7
276.07797	1.7
277.08633	10.8
277.12155	3.7
278.09332	2.4
279.06863	2.0
279.10107	6.0
281.08112	3.3
281.11597	2.2
282.08810	2.9
283.09677	9.8
285.11237	22.1
287.12967	1.8
289.08582	3.6
291.10132	3.6
293.08310	1.7
293.11707	3.0
294.08893	2.5
295.09644	7.5
296.10410	3.6
297.08127	2.4
297.11224	34.1
298.11499	2.0
299.12762	3.9
303.10086	1.9
305.11740	3.5
306.09189	1.4
307.09698	5.1
308.10397	2.7
309.11221	13.4
311.12778	25.8
313.10724	2.6
313.14267	2.1
315.12405	6.2
317.13843	1.5
319.09946	1.5
321.11328	12.6
322.11975	1.7
323.13022	5.5
325.14566	3.1
327.12411	2.0
329.13858	1.3
335.12704	5.3
337.14337	9.0
341.13766	3.8
343.15332	8.2
347.13135	1.3
349.14297	2.3
353.13699	1.6
355.15411	15.0
367.15454	2.9
370.29993	1.6
397.10245	1.6
399.12250	1.9
401.14157	1.6
413.13931	2.6
417.13141	1.3
421.16464	1.6
431.14560	5.5
433.16266	2.3
445.16290	8.5
447.18118	1.5
457.16492	2.7
459.17990	3.3
459.25732	1.2
461.15894	4.9
462.16449	1.5
465.18802	4.4
471.17905	2.6
475.17374	7.0
477.19238	2.1
477.27655	1.7
485.19427	2.4
489.19171	2.1
495.29752	2.1
497.19431	2.1
503.20755	6.7
515.20825	1.9
609.24487	4.6
627.25867	4.4
639.24915	3.6
657.26465	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	657.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45878	1.3
53.03932	2.9
54.08728	1.2
55.01852	2.2
55.05490	3.2
65.03927	3.4
67.05483	6.3
69.03406	2.3
69.07058	2.0
71.04972	2.8
71.53516	2.0
79.05493	8.3
81.03380	4.4
81.07042	8.1
85.02897	3.3
91.05474	24.0
93.07036	7.5
94.04161	3.2
95.04951	5.9
95.08575	5.4
103.05444	5.6
105.07014	13.1
107.04949	9.8
107.08594	3.8
108.05729	1.7
109.06495	6.4
109.10146	3.4
111.04450	2.8
115.05451	10.2
116.06221	1.5
117.07021	6.9
119.04903	8.3
119.08546	4.4
120.05724	1.4
121.06494	13.6
121.10129	2.5
122.03633	5.9
123.04399	5.4
123.08035	6.0
123.11674	2.2
124.73293	1.6
128.06221	6.5
129.07024	14.0
131.04912	12.2
131.08545	4.0
133.06488	4.5
133.10097	1.4
134.03592	1.8
135.04413	2.4
135.08037	5.6
136.05196	2.6
137.05962	96.6
139.21919	1.4
143.04889	5.5
145.06480	5.6
146.03555	2.2
146.07233	3.4
147.04388	4.0
147.08009	7.1
148.05147	3.9
149.05972	14.5
149.09625	3.0
150.06664	1.5
151.03920	3.9
151.07527	51.1
157.06471	8.1
159.08063	3.8
160.05125	5.2
161.05960	100.0
161.09599	13.6
162.06438	2.3
163.07524	16.5
165.05638	2.9
165.06915	9.0
165.09099	18.2
166.07794	1.4
167.07076	2.7
167.08467	2.7
174.06691	7.6
175.07526	59.8
175.11050	1.8
175.93620	1.5
176.07996	1.7
177.05396	1.6
177.09082	7.1
178.07755	3.1
179.07045	1.5
179.08546	3.6
179.10410	1.4
181.06427	3.7
181.08641	1.3
182.07220	4.8
185.05844	2.2
187.07542	10.2
189.07089	3.1
189.09077	40.4
190.09357	1.6
191.06955	6.3
191.08452	2.3
191.10681	2.4
193.06450	8.8
193.08304	2.5
193.10133	2.1
193.12166	1.7
194.07202	2.7
195.08063	5.5
195.10133	11.6
196.05104	1.8
196.08803	1.9
199.07483	2.5
203.06955	3.4
203.08684	3.2
203.10547	1.5
205.06474	5.3
205.08408	1.7
206.07207	3.3
207.07997	5.1
207.10121	33.6
208.08777	2.7
209.06006	2.5
209.09697	2.9
209.11549	2.6
210.06750	5.5
211.07480	3.9
213.08891	2.0
218.07166	4.4
219.08064	8.2
220.08838	1.5
221.05927	9.2
221.09569	3.3
222.06662	2.4
223.07462	3.5
223.11172	3.0
224.08263	6.3
225.05457	2.0
225.09091	11.5
227.07013	3.4
231.08005	2.8
233.05933	2.0
233.09560	1.6
234.06635	5.3
235.07489	8.3
236.08232	3.4
237.05452	1.6
237.08981	7.0
238.06187	4.3
239.06941	3.6
239.10675	3.3
240.07796	2.5
241.08569	3.9
244.08780	1.9
245.05980	2.7
245.09579	2.3
246.06854	2.1
247.07535	7.0
248.08311	4.7
249.09074	8.8
250.06229	3.6
250.10005	1.9
251.07024	4.3
251.10600	8.4
252.07732	5.0
253.08533	12.2
255.06625	1.7
255.10048	3.0
260.08319	1.5
261.09033	4.0
262.06152	2.1
262.09836	3.3
263.06998	4.6
263.10556	4.5
264.07883	3.2
265.08557	14.4
266.09299	2.7
267.10162	13.5
268.07178	2.2
269.07990	1.7
270.08865	2.8
273.08789	2.4
273.11377	2.9
275.10562	2.5
276.07635	2.2
277.08557	14.1
277.12210	7.2
278.09305	3.4
279.07071	2.2
279.10126	6.5
280.07498	2.3
280.10760	1.6
281.07971	3.0
281.11594	2.7
283.09665	9.9
284.10428	2.9
285.11221	28.0
287.12781	3.6
289.08533	3.5
289.11801	2.2
290.09430	1.8
291.10123	7.1
292.07352	1.6
293.08105	5.1
293.11642	3.2
294.08859	4.6
295.09601	5.0
296.10376	4.0
297.11261	16.2
299.12784	6.5
301.08798	1.7
303.10153	3.8
305.11731	4.4
306.08865	1.9
307.09497	5.8
308.10437	5.8
309.11218	17.1
310.12018	2.2
311.12747	29.4
312.12991	1.7
313.10669	8.5
313.14426	3.9
317.11636	4.8
321.11136	6.1
323.12842	14.3
325.14313	4.9
329.13889	2.1
335.12802	6.7
337.14328	32.1
341.13824	4.1
343.15384	9.7
349.14407	8.4
353.13940	3.3
355.15350	61.3
356.15823	2.6
367.15356	20.9
385.16187	4.5
413.13470	3.9
421.16498	2.4
425.13248	1.9
431.14859	6.0
432.15393	1.7
433.16360	3.1
441.33887	1.6
445.16443	12.0
447.18103	1.8
457.16470	3.4
459.17926	2.3
459.31174	1.9
461.15714	1.6
465.18811	4.5
475.17328	4.2
477.32080	1.9
483.30838	1.6
485.19775	1.7
489.19006	4.0
495.32315	1.5
503.20453	1.8
508.46750	1.5
572.37280	1.6
597.24377	1.7
609.24249	4.2
610.21991	1.7
613.24292	2.6
621.24084	1.9
627.25757	4.7
639.25079	2.9
657.26257	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	657.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31752	2.5
53.03938	10.1
53.49627	2.4
55.01856	6.8
55.05507	18.6
55.40631	2.5
57.03424	13.1
61.02896	4.1
65.03941	3.0
67.05498	40.6
67.98637	2.3
68.05795	3.5
69.03416	18.2
69.07053	12.6
71.04973	11.5
71.53274	3.1
73.02897	5.2
79.05481	35.3
79.49046	3.2
81.03409	100.0
81.07046	43.4
83.04971	42.6
83.08604	22.2
85.02893	22.8
85.06525	3.4
91.05468	66.3
93.07014	29.8
93.07436	2.5
95.04951	32.0
95.08621	14.8
97.02885	18.9
97.06506	9.1
97.10159	8.1
99.04441	4.9
101.02389	2.9
101.12974	2.6
103.05476	3.2
105.07021	36.1
107.04943	14.2
107.08601	17.6
109.02877	9.4
109.06530	6.7
109.10142	6.1
111.04446	13.3
111.08057	13.2
115.05399	2.9
117.06980	7.3
119.04947	3.7
119.08561	26.4
121.06517	9.2
121.10159	12.9
122.03609	4.7
123.04391	4.0
123.08038	8.0
123.11697	6.4
125.09657	4.1
127.03882	11.3
128.06219	3.5
129.05476	9.5
129.06984	16.7
131.04913	2.9
131.08553	19.0
133.06485	5.2
133.10126	18.9
134.89690	3.2
135.08015	4.6
135.11653	4.5
137.05962	57.1
143.08525	2.9
145.06467	4.8
145.10072	3.7
147.04437	3.2
147.08009	6.8
147.11665	26.7
149.05966	5.0
149.09607	7.2
151.07518	25.1
157.06506	4.4
157.10101	16.4
161.05986	25.7
161.09596	6.0
163.11182	7.9
165.09029	3.3
165.12711	8.0
167.07043	4.7
175.07530	7.6
175.11127	17.1
178.63879	2.7
181.06390	4.3
181.12260	4.0
189.09097	9.5
191.10654	4.0
193.12222	48.0
194.12590	3.5
195.10156	9.2
199.07524	3.2
207.08154	3.9
207.10184	6.1
209.11699	3.5
211.13261	85.6
212.13568	3.8
219.09996	3.4
221.05951	4.9
224.08499	3.3
227.12805	7.5
229.14359	6.4
237.09117	7.2
249.14844	2.9
251.07138	4.1
253.08539	4.9
257.61432	2.8
262.06467	2.9
265.08563	7.7
265.60736	2.7
267.10049	6.5
267.15891	19.8
272.65295	2.8
272.98627	2.5
277.08511	5.9
279.09979	3.1
283.09555	6.2
283.15347	3.4
285.11243	18.8
285.16956	23.1
297.11133	10.6
309.11295	7.2
311.12704	7.4
329.06494	4.6
343.15305	7.3
355.17163	6.5
385.23471	4.3
411.20230	3.9
429.20844	5.3
445.16446	7.0
459.27240	18.4
477.28186	21.3
478.28687	4.9
495.29535	21.2
622.32678	4.9
627.26086	4.4
639.33746	13.1
657.34967	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	658.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92385	0.3
53.00303	0.3
53.95307	0.3
55.04237	0.3
55.05496	0.5
57.07072	7.7
58.06595	2.2
61.96322	0.3
65.03931	1.1
67.05498	0.7
68.04996	0.6
69.44697	0.3
69.44991	2.9
70.06585	22.3
71.08633	3.1
72.08127	0.4
74.06052	0.3
77.58526	0.3
83.08617	0.5
84.08128	0.5
85.10152	1.1
88.07623	23.5
91.05456	0.4
93.07016	0.4
102.09169	19.7
105.03368	0.6
108.08685	0.4
111.32180	0.4
121.02842	0.5
131.04938	0.6
146.11649	0.4
147.04427	0.3
149.02328	42.7
150.02664	0.3
153.07008	0.4
175.03899	1.5
177.05463	1.1
193.04948	56.4
194.05243	0.8
212.23711	0.5
212.29214	0.3
219.06552	1.6
219.08488	0.3
219.11319	0.3
225.05458	1.1
237.07547	14.2
256.26331	56.6
257.26703	1.0
257.67712	0.3
269.04572	1.6
297.03937	2.7
300.28928	1.6
313.07040	2.8
341.06525	12.1
342.07242	0.3
343.08243	0.6
359.07535	8.0
385.09152	22.9
403.10507	0.7
429.11780	32.1
430.12253	0.8
640.34662	1.2
658.35803	100.0
659.36047	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	658.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32863	1.3
53.03946	3.0
55.01855	2.1
55.05511	8.5
57.03417	6.5
59.04963	1.9
60.51122	1.6
67.05501	26.6
67.05846	1.5
68.36168	1.3
69.03415	1.8
69.07070	9.2
71.04980	3.2
71.53902	1.9
72.34974	1.4
73.02917	1.7
79.05489	30.6
81.03397	5.5
81.07047	19.3
82.73949	1.7
83.04960	7.1
83.08600	5.4
85.02888	2.5
88.08396	1.5
91.05463	25.9
93.07036	37.8
95.04930	9.6
95.08584	9.0
97.06531	5.4
97.10175	3.7
101.73997	1.5
105.07021	14.1
107.04956	3.5
107.08577	13.1
109.10146	4.7
110.71040	1.8
111.08005	1.5
117.06991	5.3
119.08553	8.2
121.10121	4.4
123.08025	1.8
129.06998	5.2
131.08568	1.8
133.10152	5.4
135.11679	15.3
143.08569	3.5
145.10086	6.1
147.08066	2.6
147.11639	11.9
149.13278	2.0
159.11740	2.6
161.13179	2.8
163.11096	2.2
167.06935	2.2
171.11650	6.8
181.12219	1.9
189.12730	4.1
207.13808	8.4
255.15880	25.9
269.17474	2.4
281.17410	19.5
420.68317	1.6
455.43536	1.4
461.28946	100.0
462.29163	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	659.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01853	0.5
55.05491	0.9
57.03423	0.6
57.07052	0.4
66.43593	0.3
67.01850	1.0
67.05488	2.3
69.03397	0.4
69.07056	1.2
70.77504	0.5
71.04974	1.0
77.03924	0.3
79.05486	0.9
81.03394	0.6
81.07047	4.3
83.04964	0.9
83.08607	0.6
85.02896	1.4
85.06520	0.5
86.09710	0.3
91.05476	1.9
93.07036	7.2
95.04947	1.2
95.08598	3.1
97.02888	0.5
97.06510	0.5
97.10162	0.5
98.63070	0.2
98.64182	0.2
99.08048	0.3
105.07017	1.3
107.08582	2.0
109.10150	3.2
111.04407	0.3
111.08048	1.0
111.11727	0.4
112.62223	0.2
117.07073	0.4
119.08552	1.3
121.06496	1.8
121.10128	1.9
123.11663	1.7
125.09616	0.3
127.03886	0.4
127.11176	0.8
133.10104	1.1
135.08043	0.3
135.11653	1.7
137.05992	0.4
137.13213	0.2
139.07529	4.0
139.11124	0.4
143.10739	0.3
145.10127	0.3
147.11656	0.8
149.05940	5.0
149.13240	0.9
151.07532	2.3
152.28462	0.3
153.12723	0.7
161.13225	0.4
163.07446	0.3
163.14767	0.4
165.05489	0.4
165.09059	0.3
165.12769	0.3
166.06250	0.5
167.07016	100.0
168.07355	2.2
169.12234	0.7
177.09090	0.3
177.16374	0.7
181.08528	1.2
184.07323	1.3
187.14847	0.4
189.09192	0.3
189.16316	0.3
191.10645	0.9
191.18002	0.6
193.08623	0.3
193.12157	0.4
203.17967	1.2
205.12189	0.5
207.10141	3.2
211.13206	0.6
221.19084	0.4
233.11674	0.4
235.13274	0.7
237.11188	0.5
241.13361	1.5
245.22626	0.5
247.13361	0.4
257.15347	0.3
263.23746	0.3
267.15817	0.3
269.12885	0.7
271.24301	0.7
277.25214	0.2
285.16946	0.3
286.18750	0.3
289.25195	1.3
295.26102	1.3
307.26215	0.6
357.24228	1.8
375.25290	3.5
425.30484	1.8
433.16614	0.3
443.25278	0.5
443.31488	8.5
444.31488	0.6
461.32651	6.1
463.26587	0.3
479.33502	0.5
604.22681	0.3
631.27271	0.4
641.35901	0.3
659.26166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56874	0.4
54.97007	0.3
55.01853	1.6
56.05033	1.9
60.04519	2.1
67.05492	0.5
69.86919	2.7
70.02943	24.9
71.06082	0.6
72.04497	0.8
74.00645	0.6
74.02431	4.3
76.03998	7.8
81.04505	0.4
82.06545	1.7
83.04964	1.2
83.06101	2.8
84.04494	7.4
88.03980	3.4
99.05561	7.1
103.05032	0.9
107.06057	1.0
108.04418	1.1
109.07634	3.4
110.06020	1.1
111.04418	1.6
112.03934	1.0
116.03435	3.5
117.06584	1.5
121.01063	2.0
124.03954	1.5
125.07088	1.3
126.05491	0.6
127.05003	2.0
129.05734	0.4
129.06569	2.6
130.04976	5.3
131.04782	0.5
135.05573	1.0
136.03914	1.2
137.00592	0.6
137.07074	2.1
139.03825	0.4
145.06061	100.0
145.85538	0.4
146.06427	1.1
149.00539	6.2
153.06570	6.7
155.08141	4.2
160.00584	2.7
161.02272	0.4
163.02103	2.3
165.00041	1.8
165.06566	1.2
167.01581	1.2
167.54201	0.4
169.06100	1.5
169.49799	0.4
171.07629	0.5
175.03763	0.6
177.03354	0.6
179.01598	10.8
179.03076	0.9
181.06049	1.7
183.07677	1.1
187.05421	0.7
189.00008	1.1
191.01579	1.0
192.99500	2.0
193.03146	1.8
193.06091	1.0
194.02708	7.5
195.01088	20.4
199.07106	9.7
200.07599	0.4
201.00041	1.0
207.01073	8.2
208.04253	2.8
209.02670	0.7
211.07108	13.8
218.02548	0.5
219.01065	3.6
231.04303	1.0
236.03699	6.2
237.02168	1.8
256.09286	1.1
257.07675	1.3
264.03226	31.9
265.03656	0.9
274.10306	7.3
274.13086	0.6
297.05417	1.8
317.82025	0.5
322.03815	1.6
327.05414	0.4
339.06418	4.3
339.44467	0.5
347.07126	0.9
365.08102	1.9
393.07452	10.6
405.07550	2.4
411.08505	1.0
423.08511	1.0
428.10004	1.8
450.09738	0.6
468.10629	6.3
513.11444	1.0
531.12799	6.1
575.87280	0.4
576.32837	0.5
585.04999	0.7
585.13733	8.9
642.16339	0.6
643.14124	0.6
660.16876	14.7
661.17291	1.0
675.75244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15801	0.5
55.01868	2.2
55.05487	0.6
56.05019	2.3
56.38426	0.4
60.04505	1.8
65.03941	0.6
67.05482	1.3
69.03425	0.6
70.02946	28.6
71.02885	0.8
71.03221	0.8
71.06110	0.7
72.04494	0.8
74.02431	3.8
76.03996	8.9
77.03937	0.6
80.04999	0.6
82.04604	0.5
82.06561	1.6
83.04963	2.6
83.06086	3.9
83.75143	0.4
84.04489	7.7
85.02892	1.3
88.03979	4.2
89.04004	0.4
93.03358	1.0
95.04956	0.6
96.04482	0.8
99.05566	7.7
100.03950	0.9
103.05049	0.8
107.06037	1.3
108.04440	0.6
109.07647	2.7
110.06017	1.1
111.04423	2.5
112.03965	2.2
116.03442	3.7
117.06584	2.0
121.01059	4.3
121.02892	0.8
124.03906	0.7
125.07081	1.7
126.05550	0.5
126.17489	0.5
127.05025	1.7
129.05563	0.9
129.06558	4.8
130.04987	8.2
135.02602	1.6
135.05495	1.1
136.03920	1.1
137.07074	1.2
139.03877	1.1
145.06065	100.0
146.06360	0.5
147.04385	1.2
149.00545	13.1
153.06575	6.6
155.08118	3.2
160.00624	5.4
161.00560	0.9
162.03621	0.5
163.02118	7.2
163.03891	1.9
165.00015	3.8
167.01628	1.6
169.06068	1.4
171.07578	0.6
177.03198	0.8
179.01601	14.7
179.03207	0.7
181.03214	1.2
181.06065	2.2
187.05330	0.8
189.00061	1.1
191.01625	2.2
192.99530	8.8
193.03146	2.1
193.05956	0.4
194.02692	13.4
195.01094	30.8
199.07132	9.8
201.00079	0.7
207.01086	10.2
208.04260	3.0
209.02669	4.6
209.05630	0.5
211.00578	0.9
211.07103	10.4
216.73730	0.4
218.02715	0.8
219.01082	8.7
220.04115	0.4
231.04294	0.5
236.03687	6.6
237.02165	5.8
256.09326	0.7
256.68857	0.4
257.07693	1.0
258.11331	0.4
264.03223	38.1
274.10355	3.5
297.05450	1.7
322.03754	7.5
328.77567	0.4
339.06409	3.5
347.06763	0.6
348.05276	0.5
357.07559	0.7
365.07938	1.9
369.06396	0.5
393.07516	5.9
405.07736	1.4
411.07999	1.5
420.69321	0.5
428.10040	6.7
456.09338	0.6
468.10736	2.6
531.12738	32.4
532.13007	0.9
539.13330	0.5
585.13782	20.1
586.14111	0.6
643.14221	1.3
660.16901	14.4
661.17010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01868	1.3
55.05508	7.4
57.03426	7.3
57.07065	1.6
57.10975	0.6
61.02895	2.0
65.03924	1.1
67.05496	30.3
67.05860	1.4
67.82503	0.6
69.06724	0.7
69.07062	11.7
69.64986	4.3
71.04976	3.1
73.02918	0.8
75.86248	0.6
79.05482	17.3
79.45351	0.7
81.03391	1.3
81.07044	41.2
82.07339	0.6
83.04976	3.6
83.08607	8.2
85.02876	1.9
85.06518	2.2
88.95899	0.6
91.03925	0.8
91.05461	8.8
93.07031	29.1
95.04961	3.0
95.08035	1.1
95.08592	10.2
97.02859	0.9
97.06517	5.6
97.10154	1.1
99.08064	1.9
105.04493	0.7
105.07005	3.8
107.05008	0.6
107.08578	14.9
109.06494	1.1
109.10144	1.9
111.08068	3.8
113.05959	0.6
117.07002	5.3
119.08575	0.9
121.06499	1.0
121.10127	10.3
123.11709	1.3
131.08545	4.9
133.10100	4.7
135.07956	0.8
135.11665	5.0
146.18155	0.5
147.11653	1.3
149.13245	16.7
151.11130	0.6
152.25488	0.6
156.56584	0.6
159.11671	7.4
167.14345	1.0
177.12682	3.2
179.67735	0.6
195.13782	7.6
213.14819	1.5
251.16409	1.0
269.17441	62.5
270.17862	2.0
284.35547	0.7
343.12759	0.6
410.63370	0.7
429.48172	0.7
463.30472	100.0
464.30893	9.3
607.34772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01867	1.1
55.05502	5.5
57.03434	3.3
59.55615	0.6
61.02898	2.2
65.03937	0.7
67.05495	23.0
68.05840	0.7
69.03414	0.8
69.07056	8.0
70.01672	1.2
70.02095	2.4
71.04980	1.7
73.02932	0.8
79.05057	1.2
79.05485	14.5
81.03397	1.7
81.07049	33.2
83.04966	2.8
83.08619	7.5
85.02883	3.3
85.06533	1.9
91.05470	8.9
93.06461	1.4
93.07030	21.3
95.04946	2.5
95.08585	10.1
97.02879	1.1
97.06515	4.5
97.10143	0.8
99.08060	1.2
105.06999	5.4
106.55270	0.7
107.08573	14.5
109.06488	1.5
109.10124	1.8
111.08047	3.1
117.07023	5.8
119.08543	2.9
121.10122	8.1
123.11697	2.3
125.09557	0.9
127.03896	0.8
127.90799	0.7
131.08542	4.9
133.10110	7.8
135.11674	3.9
145.10121	1.4
147.11627	0.9
149.13243	11.4
151.11179	0.9
157.10132	1.5
159.11696	5.9
169.31035	0.6
171.11604	1.0
176.34126	0.8
177.12762	1.9
183.11656	0.8
184.07333	2.2
195.12033	1.0
195.13753	5.2
213.14822	1.0
251.16434	1.6
269.17441	28.0
270.17868	1.5
353.24771	1.4
371.25714	1.5
389.26752	0.8
445.29596	10.8
463.30475	100.0
464.30838	6.5
481.31961	0.9
607.34485	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	660.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.7
55.01831	0.9
55.05505	8.5
55.67359	0.4
57.03436	5.3
57.07051	0.6
58.75711	0.4
61.02916	3.4
61.75971	0.4
65.03907	1.3
67.05496	36.3
69.03387	1.1
69.07057	11.1
70.06541	0.4
71.04994	2.9
71.08620	0.7
71.31105	0.8
73.02886	0.9
79.05482	23.4
81.03404	2.8
81.07045	49.2
82.07376	0.5
83.04981	3.1
83.08607	11.5
85.02900	3.2
85.06522	2.4
88.07581	0.5
91.03904	1.3
91.05466	12.5
93.07031	28.7
95.04958	3.4
95.08597	11.9
97.02867	2.4
97.05984	0.4
97.06510	5.7
97.10151	0.9
99.04422	0.6
99.08081	1.0
101.65704	0.4
105.07012	6.0
107.04922	0.5
107.08580	18.7
109.06464	1.4
109.10153	2.5
111.08069	3.3
117.06217	0.4
117.07005	6.7
119.08518	1.0
121.06462	1.4
121.10131	7.6
123.11692	3.2
125.09750	0.5
127.07561	0.5
131.08551	5.3
133.10112	10.2
135.07983	1.2
135.11664	7.2
147.11604	0.6
149.02298	1.0
149.13232	11.4
151.11172	0.9
159.11662	6.8
177.12706	2.7
194.05283	0.5
195.13771	11.4
213.14806	1.3
237.07637	0.4
237.87691	0.5
251.16380	2.4
256.26349	0.5
257.26602	0.9
269.17438	63.1
270.17688	2.2
339.05698	0.4
353.24802	0.5
386.09964	0.5
410.14883	0.4
418.37073	0.4
431.12241	0.7
442.44113	0.5
445.29395	2.3
463.30493	100.0
464.30688	5.2
607.34790	0.7
660.36456	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	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.37356	0.7
55.01862	1.3
55.05510	5.7
57.03432	8.0
57.07064	0.9
61.02911	1.3
65.03945	1.2
67.05500	29.7
67.05862	1.6
69.03426	1.4
69.07059	10.4
69.78698	1.4
69.79111	3.2
71.04981	2.7
73.02911	1.1
76.74037	0.7
79.05047	1.0
79.05488	17.8
81.03407	2.3
81.07048	42.2
83.04977	3.5
83.08608	8.5
85.02884	2.3
85.06514	2.4
91.03951	0.7
91.05470	10.6
92.38625	0.7
93.06444	1.6
93.07038	30.9
95.04955	3.6
95.08595	10.7
97.02895	1.4
97.06529	5.3
97.10150	0.8
99.08080	0.9
105.07031	4.3
106.38340	0.8
107.08584	17.3
109.06509	1.8
109.10147	1.6
111.08086	3.4
111.11661	0.7
117.07009	5.1
119.08585	1.3
120.23779	0.7
121.06516	1.6
121.10133	8.7
123.08041	0.7
123.11655	1.9
124.81771	0.8
131.08565	5.4
133.10132	6.6
135.08047	1.1
135.11674	5.6
139.11188	1.0
147.11681	1.5
149.02336	1.2
149.13239	13.7
151.11194	0.9
159.11674	7.3
163.07368	0.8
167.14259	0.8
177.12747	4.1
181.18300	0.8
193.05002	0.9
195.13794	7.7
213.14775	1.4
233.96642	0.7
251.16431	1.5
269.17453	59.3
270.17804	1.7
386.09546	0.8
463.30508	100.0
464.30798	5.3
660.36200	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	660.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15361	0.5
53.03918	1.2
55.01860	1.0
55.05504	7.8
57.03423	1.0
57.07050	1.8
65.03941	1.1
66.04714	0.5
67.05495	40.0
69.06705	1.0
69.07060	13.0
69.38430	5.8
71.04977	2.9
71.08607	1.2
79.05484	11.3
81.07046	51.0
83.04950	1.4
83.08606	5.6
85.06526	5.9
91.05467	6.2
93.07029	8.6
95.04950	1.5
95.08594	45.2
96.08913	1.0
97.06498	2.3
97.10158	1.7
98.98493	0.8
99.08086	1.7
105.07018	6.4
107.08581	4.3
109.10140	4.8
119.08572	4.3
121.10118	3.6
123.08033	0.6
123.11659	4.1
124.01562	0.6
124.77290	0.5
133.10112	1.9
135.11700	2.0
137.13223	2.3
145.10204	0.8
147.11658	5.3
149.13173	0.6
161.13269	1.5
163.14757	0.8
165.12665	2.7
174.71913	0.6
175.14757	0.7
183.13809	1.1
201.14871	1.3
208.16933	7.1
226.17931	6.6
242.84119	0.6
245.22728	1.0
257.17450	1.7
263.23685	2.6
268.31519	0.6
306.14764	2.7
306.27817	1.6
324.15692	0.8
337.27313	2.3
362.17288	1.6
380.18240	3.6
438.83444	0.6
480.74887	0.6
519.40393	100.0
520.41022	3.8
642.41162	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	662.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03941	2.1
55.01865	3.1
55.05503	15.7
56.48437	0.5
57.03430	18.6
57.07047	0.7
59.04984	0.6
60.08167	2.3
61.02924	3.3
65.03912	1.5
65.73824	0.4
67.05496	39.6
68.05820	0.6
69.03424	3.4
69.07059	11.5
70.17166	2.1
71.01340	3.6
71.04637	0.4
71.04979	5.3
71.07334	1.5
73.02906	1.0
79.05483	41.8
81.03408	46.5
81.07046	27.1
82.07328	0.6
83.04971	16.1
83.08136	0.8
83.08611	16.4
85.02892	16.6
85.06542	3.5
86.09205	0.9
86.09695	14.2
87.04441	0.5
91.03922	1.4
91.05470	26.7
92.05773	0.8
93.07033	43.8
94.07346	0.4
95.04957	20.0
95.08042	0.8
95.08596	10.3
96.08945	0.5
97.02365	0.4
97.02884	4.0
97.06522	10.9
97.10159	10.8
98.98430	1.0
99.04447	1.3
99.08055	1.9
103.03910	0.5
103.05449	0.5
104.10714	1.1
105.04516	0.6
105.06377	1.0
105.07024	15.3
105.07732	0.8
107.04936	5.3
107.08580	27.2
108.08904	0.7
109.06513	3.8
109.10141	6.4
111.04396	1.7
111.08065	7.4
111.11677	0.8
113.05961	1.8
115.05397	1.2
117.06999	4.7
119.04963	0.7
119.08565	14.8
119.09422	0.9
121.06514	2.2
121.10119	10.3
123.08064	2.2
123.11656	1.1
124.99069	0.6
124.99992	10.0
125.05965	0.8
125.09586	1.4
127.03917	0.6
129.06987	7.4
131.08548	6.6
133.06488	2.3
133.10107	8.8
135.08005	0.8
135.11676	40.5
136.12013	0.8
137.09612	2.1
141.06909	0.6
142.07724	1.8
143.08502	0.9
145.10097	7.2
147.08008	2.0
147.10602	0.8
147.11670	9.6
149.08659	0.4
149.09622	4.6
151.11093	1.1
153.12706	1.4
157.10098	8.4
163.11160	5.9
164.11528	0.5
165.12700	1.8
166.27617	0.4
175.11174	10.2
181.12225	9.8
184.07318	49.0
193.12224	27.4
193.14037	0.9
194.12502	1.1
199.13272	1.8
211.13271	37.5
212.13689	0.8
249.14816	0.9
255.15883	100.0
256.16229	2.9
267.15881	22.1
269.17239	0.7
285.16922	27.3
286.17242	1.0
373.23627	0.7
403.24789	0.7
406.47070	0.5
421.25766	1.6
429.25922	1.0
447.27386	38.8
448.27585	1.5
465.28430	94.4
466.28589	4.3
510.61859	0.4
597.17645	0.5
609.31567	0.6
662.36365	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	662.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01860	2.0
55.05504	19.2
55.80807	0.6
57.03411	1.7
57.07068	3.7
64.81754	0.6
65.03932	1.6
67.05494	29.6
68.05824	0.7
69.07060	22.1
71.04984	2.0
71.08627	1.7
71.53777	0.5
71.54243	0.9
75.19150	0.6
79.05478	9.0
81.03397	0.7
81.07048	33.0
82.07388	0.8
83.04994	1.6
83.08607	19.2
85.06533	1.6
86.09717	1.0
87.04470	5.5
91.05471	6.0
93.07035	13.5
95.04953	1.2
95.08593	21.9
97.06512	4.6
97.10142	4.1
98.98470	2.3
105.07010	3.9
107.08582	9.0
109.10134	6.9
111.08079	2.9
115.07589	0.7
119.08580	2.0
121.10136	6.4
123.11653	3.7
125.09586	1.1
133.10138	1.9
135.11696	2.4
137.13237	1.2
147.11710	1.5
149.13234	8.8
155.01071	1.5
158.73546	0.6
161.13232	1.2
167.14296	6.1
175.14812	0.7
178.45325	0.6
184.07352	1.9
185.15404	2.8
191.12971	0.7
221.85820	0.7
228.19539	5.4
241.17960	17.5
242.18279	0.8
246.04657	0.7
259.19034	3.0
263.23718	2.3
279.98740	0.7
306.27887	1.0
337.27353	2.4
447.37970	0.8
503.41425	1.0
521.41974	100.0
522.42126	7.8
602.15814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.60677	1.0
59.15063	1.0
67.59393	0.9
70.04102	6.0
70.04462	2.1
79.05482	4.0
81.07048	1.6
85.02847	1.0
86.09676	3.5
91.05457	2.7
91.87701	1.2
93.05776	1.3
93.07024	2.7
94.06542	3.8
104.26998	1.2
105.07013	2.0
106.06532	6.8
107.07341	7.3
108.08103	26.1
110.06062	1.4
116.04994	2.1
120.04449	3.2
120.08064	4.9
121.08846	1.5
122.06023	2.4
122.09654	22.8
125.00002	2.1
132.08081	1.3
134.05984	1.8
134.09644	2.3
136.07594	5.9
144.04472	2.6
146.04919	2.2
146.05994	23.2
146.09604	2.1
148.07562	8.5
150.09131	97.1
151.09401	2.2
152.07077	10.3
160.03934	2.1
160.07541	3.2
162.05518	1.5
164.07013	5.4
166.08617	52.9
172.03920	15.9
174.05489	1.2
176.07027	2.4
184.07335	11.3
185.07704	1.1
190.04973	13.2
197.10822	1.7
198.11435	2.3
204.06564	21.1
209.10712	1.8
210.11516	5.7
211.12291	4.8
212.09421	1.5
212.13161	2.6
213.10362	1.3
218.08057	3.5
219.59126	1.2
223.08501	1.6
223.12224	3.5
224.09384	2.6
224.13019	1.6
225.10214	3.9
225.13849	2.4
226.10880	2.7
227.11731	3.9
229.13412	1.6
235.08743	2.8
235.12277	2.5
236.09367	3.0
237.10229	6.4
237.13878	3.3
238.11021	5.1
239.11746	13.4
240.12611	1.4
241.13362	3.0
243.11269	1.6
243.49602	1.1
246.07449	1.4
248.09366	3.7
249.10222	15.7
250.10977	10.1
251.07915	1.5
251.09152	1.3
251.11778	16.8
252.08803	2.1
252.12534	4.2
253.09647	2.0
253.13333	7.5
255.11200	2.3
255.14989	5.4
257.12732	5.0
262.11188	1.3
263.11768	34.9
264.08865	4.5
264.12549	8.7
265.09686	5.7
265.13351	15.7
266.10428	4.8
266.13727	1.4
267.11319	7.8
267.13986	1.3
269.12820	4.7
271.10562	1.7
275.11819	2.0
276.08701	1.7
277.09793	4.4
278.10461	4.7
279.11252	27.9
280.11801	3.1
281.10080	2.0
281.12869	22.2
282.10001	1.8
282.13272	1.8
283.10800	4.9
283.14383	9.7
284.11551	4.2
285.12335	13.2
285.15277	1.9
287.13879	4.8
291.11221	26.1
292.11874	7.7
293.12799	25.2
295.10767	4.8
296.11481	3.4
297.12311	28.9
298.12970	4.7
299.10611	2.3
299.13876	36.6
299.17273	2.3
300.14474	1.8
305.15002	2.7
307.10733	4.6
309.12329	40.9
310.12784	2.8
311.10416	2.2
311.13788	12.6
313.15628	1.5
319.10751	22.7
321.12302	6.3
323.10110	3.8
323.16162	2.6
324.10861	1.7
325.11771	22.0
326.12048	1.6
327.13275	5.7
330.16046	1.3
337.11795	100.0
338.12213	3.5
339.13605	6.3
341.14731	2.4
343.12909	1.8
357.14520	8.8
369.14236	7.2
371.16214	1.3
388.20343	3.2
399.15427	3.7
399.20316	1.4
401.13397	8.6
414.17957	2.3
430.21252	4.2
432.19131	3.7
434.20682	3.8
440.15884	1.7
446.21216	8.1
448.22293	53.3
449.22519	2.4
458.17050	3.4
460.18491	2.6
464.17862	3.5
474.20203	85.9
475.20462	4.5
476.17844	4.4
482.19135	2.7
492.21313	9.5
494.19263	1.9
506.15289	2.0
506.22833	39.9
507.23245	2.7
571.25781	5.3
587.28290	1.8
595.25537	11.4
603.27429	2.0
613.26581	14.5
631.27594	30.2
663.30005	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	667.3291
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03928	1.0
55.05492	1.3
57.03428	1.6
60.84404	0.6
61.02915	3.5
65.03948	0.7
67.05495	4.5
69.03424	2.5
69.07063	1.2
69.37170	4.7
70.36553	0.6
71.01331	0.6
71.04985	1.3
73.02920	2.8
77.01831	0.6
79.05498	4.1
81.03409	4.2
81.07047	3.0
82.36204	0.6
83.04967	1.6
83.08636	0.9
85.02898	4.8
91.03928	1.6
91.05471	2.4
93.07034	3.3
95.04962	1.7
95.08595	1.6
96.59988	0.5
97.02895	3.6
97.06521	0.9
97.10152	1.1
98.04026	0.5
99.08067	0.7
101.02348	1.2
105.07017	2.6
107.08581	1.9
108.51289	0.6
109.02863	0.6
109.10172	0.7
114.19166	0.6
116.87014	0.5
117.07003	1.3
119.08568	1.3
121.10140	1.0
127.03922	1.7
131.08589	0.9
133.10118	1.0
135.11681	4.0
145.10110	0.9
159.11732	0.7
163.11125	0.7
193.12331	1.3
211.13277	0.8
243.08336	2.1
251.12534	0.7
439.19373	9.5
468.52411	0.6
469.20444	5.8
667.32880	100.0
668.33264	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	667.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01861	4.0
55.05504	18.3
57.03432	9.2
57.07066	46.0
61.45263	0.9
67.05492	35.8
69.03422	22.7
69.07063	14.5
69.17857	3.4
69.18278	9.9
71.01357	1.5
71.04993	8.5
71.08228	1.8
71.08621	35.5
79.05482	22.5
79.76832	1.3
81.03407	100.0
81.07044	48.3
83.04969	16.7
83.08610	25.8
85.02895	13.4
85.06527	3.4
85.10171	16.1
89.06056	1.4
91.05468	25.6
91.05994	1.8
91.46456	0.9
93.07024	16.6
95.04955	19.1
95.08591	37.9
97.02876	27.0
97.06514	4.9
97.10163	8.0
97.69181	1.2
99.04449	8.1
103.03954	1.5
103.05445	1.3
105.07015	21.5
105.07667	1.5
107.04921	6.6
107.08567	6.5
109.02870	22.3
109.06516	5.3
109.10155	15.9
111.04417	15.0
111.08087	5.1
111.11696	1.3
113.06021	1.0
115.05445	2.0
117.07021	5.0
119.04881	1.4
119.08565	15.1
121.06511	3.0
121.10119	9.1
123.04372	1.9
123.08081	1.8
123.11680	6.6
125.09643	1.7
127.03886	15.0
127.04660	1.2
129.05481	2.2
129.06964	8.7
131.08568	11.1
133.06490	4.0
133.10118	7.4
135.08075	2.5
135.11667	2.8
137.13271	3.0
141.06947	1.2
142.07800	1.9
143.08554	2.6
145.04913	1.3
145.06549	1.6
145.10153	4.0
147.08087	2.9
147.11653	18.8
149.05945	1.1
149.09633	4.7
151.14885	1.5
153.12766	1.8
155.08482	1.2
157.06526	1.6
157.10075	9.3
159.11681	1.5
163.11134	5.8
165.12724	7.7
171.11670	2.2
173.04462	3.4
175.11150	11.6
181.10175	1.6
181.12265	4.1
184.07356	4.1
189.11200	1.3
189.12735	1.8
191.10689	4.2
193.12216	33.5
207.13855	1.0
209.13486	1.6
211.13255	51.1
227.12660	5.0
229.14432	1.8
235.13387	1.5
239.23674	10.5
245.15567	1.1
249.15019	2.4
255.13754	3.3
259.13492	1.9
267.15930	14.2
273.14859	4.9
285.17123	2.1
301.14435	4.3
311.26050	1.1
313.27313	36.4
319.15445	1.3
337.16507	6.7
355.17438	9.1
383.27982	4.8
393.19354	2.0
411.20032	10.9
505.38617	6.0
523.39832	15.6
569.68365	1.0
575.23157	2.0
585.41681	1.6
649.43256	3.3
667.44067	91.5
668.44611	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.7
55.05506	6.6
57.03429	11.5
59.04979	4.2
61.02945	1.9
66.58889	1.2
67.05498	67.2
68.05851	1.7
69.03419	3.1
69.07053	3.4
69.31923	1.2
71.04987	3.6
71.53948	1.8
79.05473	8.2
81.03408	53.2
81.07045	15.9
83.04979	2.8
83.08607	16.1
84.49171	1.3
85.02882	4.0
85.06534	2.1
91.05460	13.8
93.07030	8.2
95.04950	15.8
95.08588	8.0
97.02859	2.9
97.10142	1.6
100.13235	1.5
105.06992	6.9
107.04933	3.4
107.08572	4.5
109.02899	2.0
109.06497	3.0
109.10141	62.8
111.08076	7.4
113.87517	1.6
117.07007	2.9
119.08578	12.8
121.06484	2.3
121.10130	4.8
129.06978	4.3
131.08543	5.4
133.06590	1.5
133.10098	4.8
137.09546	3.3
139.62166	1.5
145.10098	2.0
147.08026	2.8
147.11688	3.5
149.09590	2.7
155.01279	1.6
155.10645	4.0
157.10069	4.3
162.65190	1.4
165.12785	2.0
173.11725	21.3
175.11156	5.5
193.12207	18.4
211.13316	2.7
229.14326	86.6
230.14865	3.1
267.15891	84.6
268.16299	2.6
279.10544	1.5
285.09979	1.7
329.20990	4.9
333.31735	1.6
403.24893	11.2
421.25812	100.0
422.26221	4.3
600.98926	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	669.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.70741	0.3
61.15562	0.3
61.81661	0.2
67.05500	0.9
69.07067	0.5
69.45695	1.8
69.46098	0.5
79.05486	0.6
81.03406	0.4
81.07056	1.0
91.05472	0.7
93.07040	1.2
95.04965	0.6
95.08621	0.5
100.55361	0.3
105.07011	0.6
117.07003	0.3
119.08591	0.3
121.10117	0.3
133.10231	0.3
217.75046	0.3
222.82915	0.3
236.32414	0.3
239.65373	0.3
326.13016	0.3
335.26013	0.4
340.69000	0.3
349.14383	0.3
349.46158	0.2
363.16025	0.4
377.17664	1.0
378.18768	0.4
379.19263	1.2
387.16205	0.3
389.17770	0.4
390.18692	0.5
391.15582	0.3
391.19247	2.3
392.19955	1.2
393.20837	2.0
395.22336	0.4
403.19565	0.3
404.15689	0.4
404.20334	0.7
405.16626	3.2
405.21060	0.7
406.17740	1.0
406.22247	0.4
407.22632	5.3
408.23016	0.8
418.18085	1.0
419.18271	4.1
420.19257	2.4
421.20197	3.8
422.20740	0.4
423.21869	0.7
431.18387	0.4
432.19434	0.4
433.20789	4.5
434.21310	4.4
435.21872	8.6
436.22519	1.1
445.19992	0.4
446.21530	0.3
447.18140	2.2
447.22644	1.2
448.18793	0.9
449.19592	6.8
449.25467	0.4
450.20071	0.5
459.21762	0.8
460.22412	0.4
461.18521	1.6
461.24496	0.4
462.20380	3.7
463.21188	4.8
464.22156	1.3
465.23190	0.3
475.21487	1.5
476.22348	0.5
477.22565	0.5
479.20541	0.5
481.22357	0.7
489.22800	1.1
493.21628	0.8
494.23657	0.4
507.19797	0.3
507.24063	0.4
509.22134	0.9
517.22357	0.6
521.25702	11.3
522.22150	1.3
523.23199	0.7
528.37976	1.2
534.22504	0.5
535.23743	0.6
547.27142	1.3
549.24921	23.7
550.25470	0.8
567.22589	0.6
577.24152	0.6
581.27704	4.4
582.27765	0.6
609.26996	14.7
610.27173	0.6
669.29102	100.0
670.29370	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	670.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09885	0.3
53.03946	1.9
55.01855	1.2
55.05254	0.5
55.05501	7.3
57.03428	1.0
57.07061	1.0
57.87113	0.3
62.06072	0.6
63.03306	0.4
65.03919	1.1
67.05495	26.1
68.05812	0.4
69.03416	0.7
69.07063	7.0
71.04980	1.2
71.54290	0.6
79.05482	10.4
81.03408	35.7
81.07046	24.1
82.28709	0.4
83.04959	1.7
83.08604	8.8
85.06532	0.7
91.05470	11.1
93.07036	8.3
94.85403	0.5
95.04955	10.6
95.08594	16.4
97.02872	0.8
97.06530	1.1
97.10165	1.9
98.98432	0.5
99.08028	0.4
105.07018	7.2
107.04938	2.5
107.08573	4.4
109.06499	1.3
109.10135	5.4
111.04436	0.9
111.08067	2.9
117.06967	0.8
119.04932	0.7
119.08572	5.7
121.06503	0.8
121.10130	3.5
123.08047	0.9
123.11680	2.3
129.06990	4.7
129.34767	0.4
131.08557	3.6
133.06487	1.2
133.10110	3.2
134.33038	0.4
135.11687	1.8
137.09579	0.4
137.13260	1.0
142.07803	1.3
143.08582	0.4
145.10135	0.8
147.08080	1.0
147.11685	3.4
149.09619	1.9
149.13196	0.5
155.00983	0.4
157.10120	2.9
161.13200	0.7
163.14766	0.6
175.11172	3.0
175.14734	0.7
177.16351	0.5
193.12212	8.4
193.13834	0.7
236.16415	1.5
249.14827	3.0
259.57040	0.5
263.23709	1.1
267.15958	1.1
306.27924	2.8
319.26425	0.4
337.27402	1.2
383.78345	0.4
529.38806	100.0
530.39178	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	671.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.2
55.05507	34.6
57.03418	17.8
67.05494	56.3
69.03412	16.1
69.07060	10.8
70.13383	17.8
71.04969	19.5
79.05483	52.5
81.03413	91.2
81.06625	7.1
81.07050	64.3
83.04973	30.5
83.08608	35.8
85.02886	20.6
85.06528	8.1
91.05463	45.7
93.07023	46.7
95.04964	34.5
95.08597	23.6
97.02881	18.2
97.06552	11.2
97.10154	35.4
98.21358	4.5
99.04475	6.1
105.07016	35.3
107.04941	24.3
107.08582	29.7
109.02878	9.2
109.06525	17.1
109.10136	19.6
111.04416	8.0
111.08048	8.6
117.07011	13.7
119.08591	23.6
121.06505	15.7
121.10124	20.6
122.75600	4.2
123.08053	9.6
125.09583	23.8
127.03890	9.6
129.05479	11.5
129.07019	18.1
131.08574	21.6
133.06458	7.8
133.10114	12.8
135.08028	13.3
135.11671	6.3
145.06480	9.8
145.10107	13.2
147.08029	8.6
147.11711	14.3
149.09604	13.2
151.07547	3.9
155.08435	6.5
157.10132	10.8
159.08052	4.7
159.11713	4.9
161.09685	4.8
163.11253	5.5
169.10149	5.9
171.08095	7.0
171.11723	6.5
173.04437	10.5
173.09618	5.1
175.07567	5.1
175.11197	13.7
181.10153	4.3
181.12144	6.2
189.11269	12.3
191.10539	4.9
193.12267	27.2
197.13211	5.6
209.11699	6.1
211.13225	24.4
215.14296	9.4
219.13774	6.2
227.12698	26.6
229.14326	6.0
233.15363	16.7
249.14835	4.9
267.15903	39.1
273.14722	7.2
289.06885	4.0
293.17426	5.7
339.23138	6.1
349.21649	6.8
367.22791	23.9
385.23648	37.5
398.52667	4.1
403.24753	13.2
441.26166	12.9
459.27325	100.0
460.27536	6.1
477.28378	97.1
478.29074	8.3
491.30188	22.2
501.91006	4.3
509.30978	19.5
621.32458	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	671.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03163	3.9
53.03923	9.8
55.01860	7.4
55.05507	46.2
57.03429	14.8
59.04962	3.4
60.10207	2.5
61.02907	4.0
61.11443	2.7
65.03934	5.4
67.05498	55.9
69.03417	20.4
69.07057	16.9
69.22671	29.1
71.04990	15.6
79.05058	3.8
79.05485	55.8
81.03409	100.0
81.07044	52.1
83.04973	37.4
83.08615	32.0
85.02901	21.6
85.06548	4.9
91.05470	43.3
93.07032	38.8
95.04956	38.8
95.05540	3.5
95.08596	21.5
97.02907	17.7
97.06505	13.7
97.10149	25.9
99.04465	4.0
105.07008	29.1
107.04928	23.3
107.08584	32.4
109.02874	9.2
109.06504	15.7
109.10121	16.3
111.04443	7.9
111.08054	10.6
115.05433	6.2
117.07003	8.0
119.08568	24.4
121.06473	13.6
121.10113	22.4
123.04394	4.1
123.08038	9.5
123.11670	4.5
125.09609	25.8
127.03894	6.1
127.68475	2.6
129.05452	9.5
129.06982	14.2
131.04941	3.8
131.08546	21.2
133.06438	8.8
133.10123	13.7
135.08040	14.7
137.05977	5.1
137.09563	3.7
142.07671	2.9
143.08516	7.0
145.06477	13.6
145.10136	15.8
147.04474	2.7
147.08058	6.4
147.11658	13.8
149.09601	13.7
151.11250	3.1
153.09033	4.2
153.12674	3.2
155.08536	4.2
157.10103	13.9
159.08052	3.6
159.11688	6.0
161.09535	3.8
163.11136	4.9
165.09094	6.5
167.08575	2.8
167.10643	4.7
171.11685	7.2
173.04437	8.0
175.07590	3.2
175.11177	13.9
177.12718	3.3
181.10025	4.2
181.12244	3.4
189.09038	4.1
189.11157	14.9
191.10707	4.4
193.12224	28.6
195.11769	4.9
199.13058	3.5
205.15948	2.7
209.11696	4.0
211.13245	24.4
213.12717	2.9
219.13844	7.0
225.14822	6.5
227.12634	15.5
233.15417	15.2
237.14822	5.0
249.14868	7.1
267.15900	39.9
273.14755	8.5
285.16724	6.4
301.14273	3.7
309.17072	3.1
339.23068	5.1
349.21530	9.4
357.24335	3.5
367.22549	32.4
375.18097	4.1
385.23654	44.7
386.24295	3.0
403.24619	12.8
411.20078	2.8
423.25043	3.5
441.26309	9.7
459.27353	94.5
460.27179	3.4
477.28427	85.8
478.29294	4.2
491.30191	25.2
509.30991	14.2
585.30518	4.0
621.32520	9.7
653.35138	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	671.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03930	16.7
55.01873	12.5
55.05502	42.5
57.03429	13.4
59.63508	2.0
65.03932	8.5
67.05495	96.7
69.03422	22.2
69.07059	29.1
70.21153	7.9
71.04973	9.2
79.05484	88.2
81.03407	97.6
81.07043	100.0
83.04981	17.5
83.08606	28.4
85.02905	16.2
85.06536	6.6
91.05467	93.0
93.07033	75.6
95.04955	55.5
95.08595	53.5
96.08922	2.5
97.02886	15.1
97.06515	9.9
97.10165	14.6
98.21342	2.2
99.04453	2.5
99.08063	3.3
103.05435	5.0
105.07020	67.4
107.04933	16.4
107.08576	41.0
109.02860	15.6
109.06530	14.8
109.10141	23.9
111.04421	12.0
111.08087	8.6
113.05988	2.1
115.05435	6.6
117.07007	25.8
119.04884	3.2
119.08564	48.8
121.06515	13.2
121.10130	28.3
123.04415	6.0
123.08073	7.7
123.11712	8.6
125.02326	7.1
125.09623	10.3
127.03917	6.9
128.06203	8.9
129.06985	28.5
130.07780	3.0
131.04921	7.6
131.08545	38.6
133.06447	10.7
133.10118	32.8
135.04408	2.6
135.08046	7.4
135.11676	16.7
137.05902	4.1
137.09616	5.5
137.13297	2.9
141.06964	10.5
142.07770	5.9
143.08549	18.7
145.06445	11.2
145.10127	27.7
147.04364	4.9
147.08035	10.3
147.11661	30.7
149.06056	5.3
149.09599	8.4
149.13275	7.5
151.11189	3.9
153.06979	4.5
154.08946	2.4
155.08553	13.9
157.06500	5.5
157.10129	21.8
159.08041	6.2
159.11655	18.3
161.05965	6.4
161.09642	5.6
161.13237	8.9
163.11177	8.4
165.06961	2.8
165.12744	5.0
167.08571	7.4
169.06427	2.4
169.10133	9.9
171.08060	6.9
171.11668	11.0
173.05988	5.4
173.09584	8.3
173.13266	9.4
175.07593	3.2
175.11220	11.5
175.14774	3.5
177.12743	3.4
179.08563	4.0
181.10088	7.4
183.08131	4.1
183.11678	7.8
185.09593	5.9
185.13222	7.6
187.11191	6.2
187.14815	5.2
189.11162	2.9
193.12206	28.7
195.11700	5.7
197.09634	3.3
197.13263	5.0
198.10362	2.6
199.11194	6.9
199.14796	4.3
201.09103	2.6
201.12805	2.7
205.12195	4.2
207.11726	3.6
207.13652	2.8
209.13228	4.1
211.11409	4.0
211.13139	15.1
211.14929	2.2
213.12727	5.2
215.14381	3.4
221.13307	3.6
225.12619	3.4
227.14445	3.9
235.14919	3.3
237.12894	2.8
243.13875	3.3
245.15475	2.7
249.14697	3.0
254.27296	2.5
255.13759	3.4
261.22165	7.7
267.15860	24.8
273.14813	11.5
283.20160	3.1
285.17059	5.8
289.14264	3.4
301.14322	13.2
303.16013	4.0
309.22043	2.6
315.23074	4.2
319.15488	10.9
321.17212	2.3
327.23221	3.2
333.24295	2.6
335.25757	49.2
341.24518	4.0
351.23175	8.3
353.24814	4.2
369.24060	17.7
375.17853	3.5
387.25143	8.7
393.19168	8.7
411.20139	2.8
443.27988	6.9
453.33655	3.6
527.37091	13.3
530.39148	37.6
543.35077	4.8
545.38354	11.3
561.35645	3.0
607.40302	3.2
623.38635	3.7
635.39496	16.8
653.40430	34.8
671.41425	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.2
52.89674	2.4
53.03948	11.8
54.80880	2.6
55.01861	12.1
55.05505	45.6
57.03425	10.7
57.07068	4.2
62.31844	2.3
65.03931	9.2
67.05496	94.8
68.99780	4.4
69.03424	12.8
69.07063	26.4
69.47633	12.2
69.48057	8.1
71.04989	6.2
73.49685	2.0
77.03941	2.9
79.05482	83.1
81.03411	70.1
81.06565	4.4
81.07045	78.0
83.04972	8.3
83.08603	20.1
85.02900	5.1
85.06525	4.7
87.04432	2.9
88.42757	2.2
91.05470	74.5
93.07033	77.3
95.01339	7.0
95.04957	100.0
95.08035	4.5
95.08593	50.9
97.02877	9.3
97.06519	9.0
97.10160	21.5
99.08099	3.1
103.05452	8.9
105.03383	2.7
105.04483	2.8
105.07021	61.4
107.04948	29.0
107.08584	39.0
109.02863	6.9
109.06509	13.2
109.10158	23.7
111.04444	14.4
111.08081	3.9
115.03939	2.9
115.05442	8.7
117.07009	28.6
119.04953	11.3
119.08565	38.6
121.02858	11.7
121.06490	21.5
121.10135	24.7
123.04412	10.3
123.08070	8.6
123.11712	6.2
125.09573	15.2
127.03946	2.9
128.06218	7.0
129.07008	20.1
131.04926	19.1
131.08568	38.2
133.06525	16.0
133.10121	26.9
135.04431	3.6
135.08006	12.6
135.11685	15.9
137.02362	3.1
137.05984	5.3
137.09592	3.3
138.35617	2.9
141.06984	8.3
142.07750	5.3
143.08539	21.5
145.06474	21.6
145.10114	30.2
147.04373	18.0
147.08066	13.6
147.11693	19.2
149.05949	8.9
149.09602	9.4
149.13257	8.8
153.07047	3.0
153.09085	2.5
155.08528	11.1
157.04973	5.2
157.06505	6.8
157.10100	15.7
158.07430	2.8
159.08047	10.8
159.11694	14.9
160.05231	4.2
161.05966	17.6
161.09583	14.3
161.13234	6.4
163.07498	3.5
163.11157	14.9
165.06952	3.6
167.08548	11.8
168.09270	2.6
169.06470	4.6
169.10126	10.6
171.08057	7.2
171.11722	12.4
173.05965	13.3
173.09622	7.7
173.13237	9.1
174.06714	16.1
175.07471	9.3
175.11188	7.1
175.14795	2.7
177.05450	3.5
177.12741	4.5
179.08604	4.0
181.10123	6.5
183.08089	6.2
183.11691	11.0
185.06059	2.5
185.09650	8.4
185.13199	11.6
187.07567	11.1
187.11250	5.6
189.05461	14.6
189.09161	4.4
189.11209	7.0
189.12807	7.2
193.10100	6.8
193.12093	5.7
195.08099	2.8
195.11717	9.1
197.09682	4.6
197.13219	8.3
199.07509	2.4
199.14816	2.8
201.12730	5.8
203.06946	2.8
204.09505	2.6
205.12202	11.8
207.11783	3.8
209.09636	3.9
209.13206	4.5
211.11134	4.8
211.14867	4.3
213.09155	3.0
213.12790	4.4
219.11661	2.8
221.13400	4.2
223.13228	7.6
225.12759	4.2
227.12671	5.4
233.15462	2.7
235.13138	3.0
237.12660	4.4
241.12494	2.9
241.19513	3.8
243.13776	3.6
245.15527	3.6
247.11131	3.2
255.13737	5.9
257.15369	4.2
259.13348	9.7
259.20596	8.2
261.22314	5.0
267.15854	2.7
269.15259	2.8
271.13425	3.8
273.14789	49.9
275.16425	3.1
283.13293	6.4
285.14828	7.5
289.14349	5.5
301.14310	45.5
303.15887	23.4
319.15359	19.5
333.24222	9.4
335.25793	30.9
337.16516	4.5
337.21704	3.1
347.18686	4.6
351.23029	3.2
359.18082	2.4
375.17920	12.9
377.19556	6.3
391.26474	3.6
393.19171	13.6
525.33838	3.3
543.34216	7.7
553.34930	3.1
561.35516	7.6
573.29614	2.8
576.93390	2.8
579.36584	5.8
581.37677	4.6
602.34637	3.0
607.40088	3.5
617.38184	9.6
623.39441	14.2
635.39294	48.4
636.39606	3.8
653.40399	35.3
671.41486	74.9
672.41827	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	671.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.9
55.01866	14.6
55.05503	49.4
57.03434	9.5
57.07063	3.7
65.03912	7.6
67.05495	90.8
67.05859	4.6
68.99757	4.4
69.03420	16.2
69.07058	29.9
71.04981	8.3
71.56764	4.4
71.87016	2.6
73.02894	3.5
74.97332	2.6
79.05481	93.2
79.78098	2.5
81.02964	4.8
81.03409	71.4
81.07050	89.8
83.04984	13.5
83.08603	22.0
85.02884	7.9
85.06529	6.5
91.05468	87.1
93.03338	2.9
93.06451	4.7
93.07030	82.8
95.01294	4.9
95.04958	100.0
95.08587	68.2
97.02866	8.6
97.06513	5.4
97.10169	19.1
99.08093	3.6
103.05437	8.8
104.90620	2.2
105.04512	5.0
105.07018	64.4
107.04941	23.7
107.08581	45.6
109.02850	6.9
109.06502	12.4
109.10143	27.1
111.04410	12.5
111.08046	6.4
115.05463	9.6
117.07009	32.8
118.06585	2.5
119.04927	5.3
119.08558	42.8
121.02820	12.1
121.06496	21.6
121.10123	28.0
123.04426	8.4
123.08069	9.8
123.11707	5.5
125.02307	3.3
125.05930	4.3
125.09615	16.7
127.03881	4.4
128.06221	7.9
129.06992	29.3
130.07777	3.0
131.04913	13.7
131.08528	35.9
133.06474	20.0
133.10115	28.8
135.04366	3.7
135.08063	12.5
135.11688	17.9
137.02293	4.2
137.05962	5.6
137.09630	5.9
139.03931	2.6
141.06969	11.2
142.07730	7.1
143.08553	22.0
145.06490	18.1
145.10109	27.6
147.04382	17.8
147.08063	14.0
147.11644	16.3
149.05925	9.0
149.09569	6.9
149.13246	6.2
151.07480	2.7
153.06841	3.0
154.07706	2.7
155.08549	16.3
157.05026	3.5
157.06491	8.3
157.10081	19.7
159.04375	4.4
159.08055	11.4
159.11694	20.4
161.05960	18.5
161.09572	15.8
161.13219	7.7
163.07584	3.0
163.11163	19.7
165.05392	3.2
165.06908	3.3
167.08562	10.2
168.09320	3.3
169.06459	3.4
169.10107	12.5
171.08026	8.6
171.11630	12.0
173.06000	12.0
173.09590	6.6
173.11884	2.5
173.13260	7.9
174.06729	14.7
175.07536	6.5
175.11162	7.7
177.05402	4.2
177.12682	4.1
179.08586	6.6
181.10100	6.4
182.11024	2.4
183.08041	5.6
183.11681	9.7
184.07298	6.3
185.05882	3.9
185.09634	8.7
185.13225	8.6
187.07535	9.4
187.11186	7.2
187.14859	5.0
189.05438	13.2
189.09067	4.3
189.11252	5.7
189.12764	5.6
190.36685	2.5
191.07010	2.9
193.10117	4.3
193.12128	3.9
195.07982	5.6
195.11665	8.5
197.09526	7.5
197.13306	4.2
199.07625	3.5
199.10983	4.5
199.14824	5.7
205.10278	4.4
205.12218	11.4
209.09563	5.5
209.13196	7.1
211.11174	5.8
211.14803	5.4
213.12672	3.9
219.11816	3.7
219.13847	3.1
221.13225	3.6
223.11278	3.5
223.13316	7.5
225.12689	5.6
231.13829	3.9
235.14967	3.2
237.12685	3.4
239.14346	3.0
251.14188	3.2
255.13838	6.6
255.16953	2.5
257.15381	5.7
257.18835	3.1
259.13110	6.3
259.20517	6.6
261.22058	3.0
267.15955	3.1
273.14835	43.8
283.13428	4.2
285.14688	2.7
287.16208	3.1
289.14334	7.0
291.16028	3.2
301.14328	29.5
302.13892	2.7
303.15894	24.2
319.15195	14.9
333.17920	2.7
333.24335	6.7
335.25790	22.9
344.07367	2.4
347.18576	5.8
357.16708	3.5
369.24310	3.5
375.18094	8.2
377.20053	3.2
389.24374	2.6
393.18869	10.8
459.27258	2.8
530.38824	2.9
541.34998	3.1
543.34692	5.2
555.36987	2.9
561.35193	6.3
579.36725	3.8
581.38171	5.5
593.37848	3.4
605.38403	3.4
607.39307	2.8
617.38495	11.3
623.38928	11.5
635.39240	44.7
636.40045	3.8
653.30713	3.2
653.40460	32.3
671.30249	14.0
671.41284	73.5
672.41412	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	672.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.12722	0.6
55.01867	1.2
55.05507	6.0
57.03434	4.3
60.74078	0.6
61.02895	1.0
62.78603	0.7
65.03936	0.8
67.05499	26.1
67.05866	1.4
69.07062	6.9
70.09238	1.4
70.09661	2.6
71.04971	1.3
73.02941	0.6
79.05486	27.5
81.03423	3.5
81.07048	28.4
83.04958	5.6
83.08616	6.3
85.02888	1.4
85.06524	1.6
91.04886	0.8
91.05468	18.7
93.07033	32.0
94.07369	0.9
95.04968	7.6
95.08593	12.6
97.02890	0.6
97.06516	3.3
97.10158	1.1
99.08074	1.0
105.04453	0.8
105.07024	12.9
107.04971	0.9
107.08578	15.3
107.11798	0.7
109.06499	2.7
109.10130	2.7
111.08076	2.7
117.07014	3.7
119.08572	7.4
121.06483	1.1
121.10129	6.7
123.08015	1.1
123.11691	1.2
128.06197	1.0
129.07014	5.7
131.08595	3.5
133.10095	5.2
135.11655	3.3
143.08551	3.5
145.10115	3.6
147.08083	0.9
147.11673	11.9
149.13232	8.4
159.11668	3.6
161.09631	1.6
161.13304	4.2
161.14427	0.7
163.11195	0.9
171.11673	7.7
177.12694	1.6
189.12733	3.7
195.12140	0.7
195.13718	3.9
207.13800	10.4
208.45338	0.6
208.47884	0.7
269.14478	0.9
269.17447	26.9
281.17444	25.5
475.30505	100.0
476.30801	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	672.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05500	7.6
57.03420	4.8
57.07038	1.3
61.02911	2.2
65.03931	1.2
67.05498	26.6
69.07058	8.3
69.68639	7.0
71.04964	1.7
73.90019	1.0
79.05485	26.3
79.05958	1.3
81.03407	3.0
81.06574	1.6
81.07049	28.8
83.04951	5.4
83.08596	5.4
85.02912	1.6
85.06519	2.4
86.90647	1.0
91.05466	18.0
93.07030	31.4
94.51591	0.9
95.04968	7.5
95.08606	11.7
97.06533	2.8
97.10165	1.1
105.07032	11.4
107.04942	1.3
107.08578	13.2
109.06488	3.0
109.10191	2.1
111.08054	1.7
117.06990	5.0
119.08559	7.0
121.06538	1.2
121.10134	4.0
123.08042	2.6
123.11663	1.3
129.07002	4.2
131.08528	2.5
133.10112	7.7
135.11699	3.7
135.76564	1.0
143.08556	3.5
145.10147	2.7
147.11652	10.2
149.13202	4.9
161.09590	1.6
161.13266	3.2
171.11650	7.0
177.12750	1.3
184.07364	2.1
189.12718	2.9
195.13803	3.4
207.13785	7.0
269.17474	19.9
281.17459	22.7
389.49973	1.1
475.30511	100.0
476.30750	4.8
619.34814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01863	2.9
55.05508	11.1
57.03422	6.2
57.06813	2.3
57.07071	31.7
58.62904	1.3
58.63714	1.4
61.02917	13.2
67.05499	25.7
68.05828	2.9
69.03410	4.7
69.07057	11.2
70.13612	7.0
71.04970	1.4
71.08623	26.0
73.02895	4.3
75.04489	2.0
79.05488	18.7
79.27625	1.5
80.05813	2.1
81.03406	13.5
81.07048	32.3
81.73904	1.7
82.03758	2.4
82.07391	2.5
83.04976	3.8
83.08605	16.6
84.08910	1.5
85.02903	18.1
85.06567	1.3
85.10162	15.5
86.45961	1.4
91.03960	12.8
91.05463	18.3
92.05810	2.8
93.07033	16.0
94.07365	2.2
95.04950	16.2
95.08591	27.3
96.05286	4.3
96.08920	2.8
97.02874	8.8
97.06524	1.6
97.10159	8.0
98.21425	1.8
99.11713	2.4
105.06998	12.0
106.07336	3.1
107.04936	4.6
107.08561	8.7
108.08905	1.7
109.02852	2.2
109.06511	2.0
109.10152	13.4
111.04452	1.9
111.11717	2.1
115.05404	1.9
117.06987	5.8
119.08552	6.9
120.08876	2.5
121.06448	2.6
121.10110	5.0
123.11691	5.7
125.09577	2.1
127.03899	5.5
129.06970	4.6
131.04904	2.5
131.08510	5.4
133.10110	6.0
134.10400	1.8
135.08017	2.4
135.11723	1.9
137.13298	2.2
145.04950	6.4
145.06500	2.1
145.10104	5.3
147.04362	1.9
147.08035	2.2
147.11668	2.9
149.05928	1.9
149.13252	1.7
151.11163	1.7
155.08556	2.2
157.10120	2.0
159.11647	4.1
161.13203	1.9
163.06027	11.1
163.11162	1.9
169.10164	1.7
171.11612	2.9
172.12036	1.6
173.09601	2.0
184.07315	3.9
193.12248	2.2
195.11554	1.7
197.13202	2.0
207.11676	1.8
209.13156	1.6
221.22594	1.7
230.83723	1.8
239.23662	23.4
257.24899	1.8
268.16281	1.5
273.14908	3.9
274.14978	2.1
301.14276	1.7
302.14670	4.2
303.15860	1.9
313.27341	100.0
314.27643	5.8
319.15332	3.4
331.28458	33.1
332.28726	1.8
333.24756	1.5
335.25787	2.6
336.26199	3.4
468.58945	1.8
501.89075	1.8
526.11438	1.5
531.39282	2.3
547.64069	1.6
618.38208	2.0
636.39545	5.4
654.40436	5.2
672.30994	3.2
672.41376	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	673.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62584	2.4
53.03921	7.8
55.01858	6.7
55.05505	26.1
57.03422	8.0
57.07056	6.1
65.03923	7.7
67.05499	87.9
69.03423	46.0
69.07062	26.3
71.04971	6.8
79.05049	3.9
79.05483	73.0
81.03412	29.3
81.07046	100.0
82.92467	2.7
83.04954	9.2
83.08604	17.5
85.02891	6.3
85.06583	3.1
85.72314	2.8
86.72925	2.8
91.05475	69.7
93.07035	77.8
95.04964	21.0
95.08598	46.2
97.02856	4.6
97.06509	13.1
97.10185	4.7
97.32110	3.0
98.21503	4.6
99.04418	4.6
99.08048	3.9
104.03165	2.7
105.04440	3.2
105.07021	42.7
107.04925	8.0
107.08582	45.0
109.02856	6.0
109.06478	12.3
109.10138	19.4
109.10769	3.5
111.04426	5.6
111.08066	4.1
117.07022	25.1
119.08549	27.2
119.66094	2.7
121.06487	6.9
121.10130	27.5
123.08070	4.8
123.11678	7.7
127.03842	3.1
128.06178	4.8
129.06981	12.7
131.08557	25.5
133.06456	5.6
133.10118	32.9
135.08052	6.8
135.11676	19.4
141.06956	4.2
143.08519	11.7
145.06450	7.8
145.10100	20.1
147.08017	4.7
147.11659	15.4
149.09578	4.1
149.13240	21.2
150.14537	2.8
155.08467	4.2
157.10048	8.8
159.07965	3.4
159.11696	19.9
161.09631	5.8
161.13254	8.6
163.47395	2.7
167.08563	3.2
169.10109	5.8
171.11745	7.5
173.13269	6.0
175.11179	7.2
177.12698	5.9
181.10118	5.0
183.11711	4.6
185.13231	7.2
187.11203	4.4
187.14716	3.3
193.10089	2.8
195.13774	11.3
197.09561	2.9
197.13272	6.3
201.12715	3.3
207.13693	3.4
207.84003	2.9
229.26694	3.2
233.15265	4.0
259.20508	3.5
261.22113	4.3
269.17374	18.7
277.21658	3.2
301.21506	7.9
335.25665	5.1
339.17999	3.5
351.23126	9.9
369.24182	11.9
372.88303	3.3
375.25195	3.6
387.25302	9.7
395.20300	3.3
425.26733	3.4
443.28043	4.1
461.28589	6.5
463.66418	2.8
637.40900	5.2
655.41693	9.1
670.50647	3.3
673.43018	51.0
674.43018	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.0
51.27710	1.4
53.03937	7.4
53.91499	1.1
55.01855	5.0
55.02692	1.2
55.05257	2.2
55.05504	25.0
57.03428	9.5
57.07064	4.1
57.90534	1.2
61.59137	1.2
65.03932	5.4
65.90668	1.2
67.05497	83.4
67.37534	1.2
69.03425	43.2
69.06715	2.3
69.07058	26.9
69.77750	6.4
71.04989	6.6
71.08604	1.2
73.02885	1.8
77.03925	1.9
79.05485	65.5
81.03410	33.3
81.07047	100.0
82.83508	1.4
83.04977	10.1
83.08607	15.0
85.02893	5.9
85.06537	4.9
86.00581	1.4
87.04413	1.7
91.04883	2.3
91.05469	57.0
93.07034	77.2
94.07337	1.5
95.04957	16.9
95.08591	50.8
97.02883	8.0
97.06513	10.8
97.10152	4.2
99.04446	4.8
99.08067	2.4
103.05469	1.8
105.04505	1.5
105.07020	42.6
107.04938	6.3
107.08583	42.3
107.09288	2.6
109.02879	5.3
109.06522	9.6
109.10136	15.5
111.04438	5.6
111.08078	6.7
113.06020	1.4
115.05469	4.3
117.07007	24.9
119.08563	25.6
121.06480	7.9
121.10130	24.2
123.04414	2.0
123.08064	5.9
123.11708	7.8
125.09616	3.2
127.03906	3.0
127.07576	1.7
128.06242	3.5
129.05423	1.5
129.06985	13.5
131.04924	1.8
131.08548	31.4
132.42093	1.3
133.06480	6.0
133.10110	27.9
135.08034	7.9
135.11682	16.8
137.05994	1.9
137.09612	4.1
141.06989	4.9
142.07753	2.4
143.08553	11.6
145.06491	4.9
145.10101	17.8
147.04430	1.7
147.08044	4.9
147.11671	16.6
147.38548	1.3
149.05960	2.5
149.09628	5.1
149.13255	17.3
151.07672	1.5
151.11182	1.8
155.08571	5.9
157.06496	2.0
157.10086	10.3
159.08070	3.8
159.11678	20.9
161.05971	1.5
161.09636	3.5
161.13278	6.0
163.11223	3.6
163.73816	1.4
165.12744	2.9
167.08577	2.9
169.10149	5.7
171.08044	3.1
171.11627	6.6
173.09604	2.3
173.13281	5.9
175.07684	1.4
175.11174	5.4
175.14859	2.8
177.09006	2.0
177.12741	6.8
179.10594	1.9
181.10161	3.0
182.73863	1.4
183.11717	5.5
184.07310	3.3
185.09691	2.8
185.13275	5.5
187.11230	1.7
187.14806	4.6
189.12808	3.5
191.10646	1.5
195.11784	2.7
195.13826	11.4
197.09590	1.8
197.13249	5.4
199.11205	3.0
199.14848	3.4
201.12759	2.6
203.14322	2.2
205.15833	2.1
207.11681	2.2
209.13307	5.2
211.14856	2.8
213.12833	3.1
213.14723	2.7
213.16522	2.1
215.14209	2.6
221.15329	2.1
225.12859	2.1
227.14525	1.5
233.15331	3.2
259.20660	3.5
261.14569	1.8
261.22089	3.0
267.15973	2.7
269.17477	21.9
273.22226	1.6
277.21616	3.3
285.17041	1.6
289.21533	1.8
297.22177	1.5
301.21454	7.5
303.23306	2.2
313.21646	2.2
315.23260	2.3
319.22653	4.6
321.17212	1.7
323.23529	1.3
327.23251	4.4
335.25848	4.5
337.20151	1.5
339.18033	2.9
341.24713	3.9
345.23959	1.6
351.22916	7.1
353.24704	2.4
359.26022	1.7
365.24313	1.7
369.24185	12.7
371.26065	2.1
387.25302	6.7
389.26849	2.0
395.20679	4.1
405.26236	3.5
425.26794	2.2
443.27893	5.6
461.28952	10.4
529.38800	5.7
532.40729	1.9
557.00562	1.4
581.37848	1.6
625.41010	2.5
637.40973	7.6
655.41766	10.6
673.42963	61.2
674.43103	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	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47558	2.1
53.03938	11.8
55.01862	6.4
55.05505	27.5
56.41249	2.5
57.03428	9.1
57.07058	2.7
65.03926	7.4
67.05498	86.8
69.03421	45.0
69.07059	25.1
71.04975	7.0
73.02924	2.7
79.05486	66.7
81.03413	31.5
81.07047	100.0
82.07418	2.1
83.04983	12.3
83.08602	17.1
83.13365	2.2
85.02895	5.1
85.06533	7.1
87.04473	2.7
89.06019	8.0
91.05466	55.7
93.07035	68.0
95.04964	18.9
95.08600	46.4
97.02882	4.9
97.06512	9.4
97.10142	6.3
99.04449	6.4
100.11234	2.0
105.04494	4.2
105.07023	41.2
107.04920	6.5
107.08586	43.2
109.02860	3.8
109.06506	9.4
109.10149	18.8
111.04417	5.9
111.08060	6.0
115.05491	2.4
117.06999	21.7
119.08578	29.9
121.06478	6.5
121.10129	24.7
123.08066	4.9
123.11705	8.2
127.03949	3.8
128.06209	2.8
129.06999	15.1
130.07648	2.1
131.08563	26.1
132.58180	2.2
133.06461	5.1
133.08623	5.2
133.10109	23.9
135.08040	6.9
135.11681	17.0
137.05943	3.7
137.09674	2.3
139.07500	2.2
141.06960	3.3
143.08572	13.0
145.06432	4.4
145.10106	15.7
147.08018	6.4
147.11688	16.4
149.05966	3.4
149.09583	5.3
149.13252	18.1
151.11133	2.8
155.08539	6.2
157.10081	10.2
159.08034	3.9
159.11688	20.4
161.09628	3.9
161.13232	6.6
163.11174	3.2
165.12779	2.4
169.10098	5.2
171.11691	5.5
173.13222	8.4
175.11191	4.5
177.11267	3.3
177.12772	6.5
181.10121	3.6
184.07358	2.7
185.13297	4.9
187.11215	2.7
187.14856	5.9
189.12750	4.8
195.11835	4.2
195.13762	13.6
196.87408	2.2
197.13414	2.8
199.11177	4.1
199.14796	4.8
209.13190	4.2
213.12836	3.3
217.12245	2.3
247.16855	2.4
259.20612	4.9
269.17480	18.3
276.26575	2.3
277.21594	4.0
283.20584	2.7
289.21558	4.1
301.21555	8.2
319.22534	3.1
327.23160	2.8
335.25879	4.5
339.17871	5.4
351.23138	6.7
369.24130	12.5
387.25330	7.9
395.20496	3.7
405.26178	2.8
441.36252	2.2
443.27750	2.6
461.28946	9.1
529.38599	4.7
536.22443	2.6
601.59857	2.5
637.40778	4.3
655.41821	8.4
673.43048	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56515	2.6
51.72739	2.5
53.03922	5.2
55.01853	3.8
55.05502	19.3
57.03429	14.2
57.07047	3.7
60.08137	7.8
61.02904	2.8
67.05496	75.0
68.05834	3.8
69.03417	21.9
69.07059	22.9
71.04971	9.0
71.07356	2.5
71.27026	4.7
71.27364	3.7
79.05481	47.9
80.05831	2.8
81.03415	24.4
81.06575	5.2
81.07043	80.4
82.07363	6.1
83.04961	8.9
83.08621	13.2
85.02898	7.0
85.06524	3.2
86.09699	33.4
87.96564	2.5
91.05473	43.6
93.06480	3.4
93.07034	57.9
94.07365	5.5
95.04955	13.4
95.08592	84.1
96.08922	10.1
97.02857	7.1
97.06506	12.1
98.98443	3.3
104.10727	4.3
105.07003	29.9
107.04910	2.6
107.08578	29.1
109.02877	3.8
109.06474	4.3
109.10167	16.4
111.04420	4.2
111.08068	6.4
115.05437	3.2
117.06989	15.0
119.08559	20.7
119.70049	3.0
121.06477	7.8
121.10117	19.3
123.08056	4.2
123.11658	5.9
124.99998	25.0
125.09607	3.8
129.06958	9.3
131.08554	19.5
132.37881	2.8
133.06471	4.3
133.10112	17.4
135.08026	3.3
135.11649	13.8
137.09641	3.5
141.06932	3.3
141.27570	2.5
143.08488	6.9
145.06502	2.5
145.10103	14.4
147.07997	3.5
147.11646	10.9
149.09531	4.8
149.13243	11.9
157.10129	6.3
159.08028	3.1
159.10164	7.5
159.11633	11.2
161.09637	4.2
161.13203	5.8
169.10193	4.1
171.11685	6.3
173.13210	7.2
175.11134	4.0
177.12708	3.7
181.10251	3.1
183.11693	2.9
184.07315	100.0
185.13213	3.5
187.14786	3.2
195.13800	6.2
197.13152	3.5
215.12741	29.9
216.13115	13.7
236.14674	2.4
242.66386	2.5
261.22101	7.7
269.17435	11.6
273.18277	3.4
289.21387	2.9
291.19507	6.7
301.21664	4.6
335.25635	14.7
336.26126	17.0
348.01074	2.7
350.26169	2.8
351.23050	5.6
369.24106	4.3
443.28101	3.6
476.34644	12.2
637.40442	5.1
655.41394	8.3
673.42914	37.4
674.43414	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	674.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01864	7.2
55.05255	1.4
55.05504	16.3
57.03428	6.1
57.03674	1.1
61.02934	5.0
65.03930	1.5
67.05495	34.2
68.05817	1.0
69.03401	3.1
69.07058	7.8
69.20081	2.7
69.20492	11.1
71.04970	3.9
73.87466	1.1
78.55147	1.0
79.05480	24.2
81.03400	11.9
81.06573	1.9
81.07042	32.6
83.01302	1.2
83.04979	11.2
83.08623	11.0
85.02890	5.8
85.06503	2.5
86.09682	1.7
88.24582	1.1
91.03954	2.5
91.05471	24.1
93.07025	27.2
95.04955	14.4
95.08585	12.8
97.02867	3.4
97.06506	4.8
97.10163	13.5
98.21454	2.1
99.04436	1.9
99.08077	1.5
105.07021	17.0
107.04942	8.5
107.08578	20.9
109.02883	1.9
109.06504	5.0
109.10139	11.4
111.04438	5.8
111.08086	5.2
112.98836	1.1
115.05383	1.2
117.07011	12.6
119.08562	9.8
121.06493	4.7
121.10135	7.7
123.04395	1.8
123.08067	4.9
123.11677	3.4
125.09605	10.6
127.03880	1.2
128.06223	1.2
129.06952	5.4
131.04919	1.4
131.08528	12.4
133.06445	3.7
133.10098	16.1
135.08034	4.1
135.11658	7.5
137.09610	1.6
143.08507	4.0
145.06461	3.7
145.10097	7.9
147.08040	3.5
147.11655	4.7
149.05997	1.4
149.09593	2.2
149.13229	3.6
151.11168	7.2
153.09097	2.3
153.12759	5.2
155.08549	4.1
157.06476	1.6
157.10127	3.1
159.08025	2.3
159.11679	4.9
161.09554	2.5
163.11174	11.6
165.12793	1.4
167.06999	1.6
167.08537	1.2
169.10118	2.6
171.08009	1.2
171.11659	2.3
173.09560	3.7
173.13129	1.5
177.12721	2.2
181.09964	1.3
181.12242	3.9
183.11655	1.4
184.07324	4.2
185.13240	1.9
187.14767	1.8
189.09019	1.3
189.11188	4.5
189.12744	1.4
191.10666	3.7
193.12241	4.5
195.11650	1.3
195.13780	1.3
197.13260	3.4
199.11171	2.9
205.15808	2.2
207.13829	2.4
209.11586	2.0
211.13168	1.8
213.12836	2.0
215.14220	2.8
219.13542	1.2
227.12630	5.1
233.15375	4.7
257.15228	1.7
267.15839	2.7
269.17450	4.9
271.16843	1.4
273.14932	1.9
283.15308	7.2
285.16895	1.6
287.16489	2.4
339.23102	3.3
349.21600	2.9
357.24268	5.8
367.22693	12.0
385.23682	30.5
403.24762	7.0
431.27740	1.7
441.26248	3.2
459.27335	100.0
460.27661	4.6
477.28421	92.3
478.28662	4.5
495.29254	6.9
530.97852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05373	0.5
51.02365	0.5
53.03944	1.4
55.01862	3.2
55.05260	0.5
55.05507	8.3
57.03431	7.2
57.07064	1.0
59.04987	1.0
61.02919	2.8
61.98763	0.4
62.99042	0.5
65.03941	0.8
67.05496	20.2
69.03413	1.4
69.07060	7.4
70.06579	0.6
71.01360	0.6
71.04978	2.4
71.08625	0.5
73.02923	0.7
73.52635	0.4
76.85819	0.5
79.05482	17.4
81.03410	8.6
81.07050	26.3
83.01347	2.7
83.04974	6.3
83.08610	9.2
85.02891	4.5
85.06528	1.6
88.07622	0.7
91.03950	1.2
91.04945	1.0
91.05470	10.2
93.07030	24.5
95.04948	5.8
95.08597	7.4
97.02895	2.1
97.06517	4.1
97.10140	0.8
98.21575	0.9
99.04437	1.4
99.08116	0.6
103.05521	0.5
105.07027	5.5
107.04949	4.2
107.08582	14.1
107.09286	1.0
109.06491	3.7
109.10138	1.6
111.04431	0.9
111.08057	2.6
117.06992	5.7
119.08560	4.6
121.06528	1.9
121.10128	6.6
123.08041	3.1
123.11671	1.8
125.05990	0.8
125.09570	0.8
127.03914	0.6
129.07018	1.0
131.08560	3.8
133.10109	6.3
135.08055	1.8
135.11687	7.9
137.09612	0.6
143.08507	0.7
145.06535	0.4
145.10110	6.6
147.08060	0.8
147.11646	0.9
149.02322	1.7
149.09610	0.8
149.13258	5.4
153.12785	0.7
157.10150	0.5
159.11665	2.9
163.11159	10.6
173.09573	1.1
175.11179	0.7
176.78362	0.5
177.12737	2.3
181.12219	1.3
191.10664	1.4
193.04881	1.2
193.12259	1.5
195.13805	5.5
209.11745	2.5
211.13240	0.5
213.14746	1.3
213.16614	0.5
227.12723	2.2
228.23204	1.4
251.16362	1.0
259.02841	0.5
267.15884	5.9
269.17444	36.5
270.17883	1.0
283.15372	43.1
284.15692	1.0
285.16968	1.6
385.23575	0.8
459.27206	3.6
477.28427	100.0
478.28690	5.4
492.57211	0.6
674.35120	3.9
675.46765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
56.05018	0.5
57.03428	0.3
58.06577	0.3
60.07871	0.4
60.08157	6.5
66.90319	0.3
67.05492	2.5
68.05833	0.4
69.03414	0.7
69.07060	0.6
70.24011	0.3
71.07362	3.3
71.57690	0.5
77.56328	0.3
79.05482	1.4
80.05801	0.4
81.03396	0.6
81.07045	2.7
82.07365	0.5
83.04968	0.4
83.08598	0.5
86.09692	32.0
91.05455	1.0
93.07027	1.6
94.07343	0.3
95.04942	0.5
95.08588	1.7
98.98451	2.9
104.10730	1.9
105.07001	1.0
107.08533	0.7
107.70281	0.3
109.10139	1.0
119.08566	0.7
121.10165	0.5
124.81825	0.2
124.99984	20.3
131.08551	0.5
133.10080	0.6
143.01068	0.4
150.08229	0.2
157.44403	0.2
166.02699	0.3
184.07310	100.0
185.07758	0.6
249.07425	0.2
260.47842	0.3
289.94565	0.3
491.36859	0.4
533.38092	0.4
601.01129	0.3
674.43762	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	674.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05021	0.7
58.06596	0.4
60.07871	0.4
60.08157	6.5
67.05500	3.1
69.03416	0.6
69.07053	0.6
70.06038	1.3
71.07368	3.2
77.61518	0.3
79.05485	1.0
81.03415	0.6
81.06723	0.2
81.07061	2.3
82.07410	0.3
83.08627	0.3
86.09698	32.4
91.05463	1.2
92.05807	0.3
93.07027	1.6
95.04951	0.5
95.08601	1.5
97.10163	0.3
98.98454	2.7
100.85413	0.3
104.10739	2.2
105.07050	1.2
107.08612	1.2
109.10152	0.7
117.06982	0.5
119.08549	0.4
121.07600	0.3
121.10126	0.4
124.99995	20.4
130.05815	0.3
131.08542	0.4
133.10115	0.4
135.11697	0.3
143.01056	0.3
145.10023	0.3
149.13214	0.3
151.79686	0.3
159.11630	0.4
184.07324	100.0
185.07643	0.5
193.59819	0.2
231.13654	0.3
270.17770	0.3
284.47275	0.3
358.71719	0.3
390.53073	0.3
503.36368	0.3
561.60071	0.3
566.13043	0.3
578.09882	0.3
674.43628	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85277	0.7
67.05489	2.0
69.07062	1.2
79.05468	2.2
81.03411	2.7
81.07047	3.1
83.08638	0.8
85.02874	1.1
85.24178	0.7
86.09695	1.2
91.05478	2.3
92.47736	0.7
93.07033	2.7
94.06554	1.5
95.04955	2.1
95.05566	0.7
95.07314	1.7
95.08598	1.7
96.08116	3.3
97.06545	1.0
98.20721	1.5
105.07034	1.1
107.04913	1.0
107.08606	1.0
108.08125	2.7
109.10136	1.9
110.09677	5.2
114.86339	0.9
119.08530	1.3
120.04445	1.8
120.07357	0.8
120.08078	4.6
121.06513	0.8
121.10168	1.4
122.06033	1.4
124.07597	2.2
131.08580	1.1
133.10060	1.1
136.07568	4.3
137.05989	0.9
138.09111	9.0
147.11740	1.0
148.07500	1.5
149.09624	1.5
152.07031	0.8
165.05417	1.0
166.08612	8.3
167.07057	1.5
172.03917	1.1
175.11279	0.8
176.95094	0.8
178.04988	1.2
184.07364	4.4
190.04939	1.1
193.12224	1.3
194.08168	1.0
196.09888	0.9
204.06589	1.1
211.08707	0.9
219.31941	0.9
223.12328	1.2
224.09529	0.9
225.10228	2.9
227.11812	1.3
228.20465	0.8
237.10297	4.2
239.08171	0.9
239.11687	2.1
241.09784	1.1
241.13342	0.9
248.46530	0.8
249.10202	5.1
250.10948	1.5
251.08136	2.3
251.11797	3.4
253.09715	3.3
261.10156	3.1
263.11792	2.7
265.09717	5.5
266.10318	1.1
267.11182	4.3
267.15991	2.1
269.12857	2.6
271.10721	2.3
277.09549	1.8
278.10492	2.5
279.07657	2.5
279.11282	7.4
280.11923	2.4
281.09164	2.6
281.12851	2.6
282.10019	1.0
283.10687	5.0
285.12231	2.0
287.13980	2.7
289.09698	5.1
291.11249	1.6
293.09537	1.1
293.12897	3.2
294.09906	3.8
294.13138	1.0
295.10733	4.9
296.11621	1.3
297.12198	2.5
299.10498	1.9
299.13840	1.8
306.09702	1.4
307.10742	2.1
308.11447	2.0
309.12274	2.6
311.10199	6.2
311.13684	1.6
312.10901	2.7
313.11813	1.9
314.12708	1.0
315.13400	3.1
317.09009	1.2
323.10364	1.1
323.13785	1.8
324.11087	1.6
325.11844	1.8
326.12582	3.5
327.13367	7.3
335.10333	6.9
337.11755	1.2
339.13367	48.4
340.10281	2.2
340.13919	1.4
352.10529	1.0
354.12036	5.1
355.12823	11.8
367.12845	30.1
398.14752	1.0
399.15610	1.6
440.16272	0.9
451.20734	1.6
458.17236	1.8
460.18759	1.1
460.27603	2.0
464.21622	1.1
477.27985	1.0
478.28687	2.1
479.20316	1.9
488.18027	9.5
492.21420	4.6
520.20752	100.0
521.21130	5.2
538.21729	3.7
552.23346	37.1
553.24060	2.3
611.24634	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	676.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27274	1.0
53.03923	3.8
55.01849	1.7
55.05500	11.5
57.03432	12.6
57.07064	1.5
59.04995	1.1
61.02905	4.9
65.03915	1.8
67.05495	36.2
69.03415	2.8
69.07058	13.9
69.18800	2.7
69.19202	10.5
71.04992	5.7
73.02917	1.4
77.03924	1.3
79.05479	28.7
81.02921	1.0
81.03407	40.3
81.07041	51.4
83.04976	11.1
83.08607	20.1
85.02418	1.7
85.02895	18.3
85.06557	2.4
91.03964	1.3
91.05468	28.1
93.07032	32.2
95.04954	14.3
95.08589	12.8
97.02871	5.2
97.06491	6.6
97.10162	2.4
98.21487	2.7
98.37782	1.1
105.07012	17.7
107.04921	4.0
107.08584	17.3
109.06514	2.8
109.10143	2.9
111.04409	1.6
111.08052	7.8
113.05953	1.4
115.05466	2.0
117.06986	5.1
119.08559	11.7
121.06495	2.1
121.10126	10.2
123.08008	1.9
123.11686	3.7
125.09612	2.0
129.06979	5.8
131.08530	11.1
133.06487	1.4
133.10118	12.6
135.08032	1.9
135.11673	6.8
137.09564	1.5
142.07741	2.5
147.08080	2.3
147.11610	8.4
149.09602	4.1
149.13228	7.3
157.10118	6.0
159.11685	4.4
165.12706	1.5
175.11153	9.3
177.12637	2.5
178.74553	1.1
183.01851	1.4
193.12209	28.3
195.13756	8.5
211.13266	33.8
213.14937	1.2
241.63847	1.2
266.99570	1.1
267.15891	13.7
269.17432	52.3
285.16922	33.5
443.28400	1.5
461.28900	25.7
479.29953	100.0
480.30185	4.3
483.15808	1.8
498.18265	5.9
557.19104	1.2
630.67157	1.4
676.26801	14.5
677.26257	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	676.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01867	2.8
55.05267	0.9
55.05508	15.0
57.03435	13.7
57.07063	1.9
57.53335	0.8
61.02902	3.9
65.03923	2.5
67.05502	38.8
69.03413	3.8
69.07061	12.9
69.40388	6.5
69.40791	2.4
71.04999	5.4
73.02880	1.2
75.62432	0.9
79.05491	29.4
81.03416	44.6
81.07054	51.0
83.04986	14.0
83.08147	1.6
83.08617	20.5
85.02417	1.3
85.02896	16.2
85.06523	2.9
91.05476	27.5
93.07037	33.5
95.04968	18.2
95.08604	14.8
97.02898	4.9
97.06521	6.6
97.10146	3.7
99.04428	1.1
99.08096	1.5
105.07032	17.7
107.04936	4.1
107.08589	18.8
109.06506	3.4
109.10149	2.7
110.72391	1.1
111.04467	1.5
111.08079	9.5
113.06023	1.3
117.07024	5.0
119.08567	12.3
121.06504	1.3
121.10130	13.3
123.08067	1.8
123.11702	2.6
125.09585	1.3
129.07011	7.3
131.08559	12.7
133.06454	2.3
133.10123	11.4
135.08040	1.4
135.11671	4.4
139.11107	0.9
142.07745	1.3
147.08067	1.9
147.11684	10.0
149.09598	4.9
149.13263	13.9
157.10144	9.1
159.11693	6.4
162.44580	1.1
175.11180	10.0
177.12701	2.8
193.12234	30.6
195.13852	7.4
211.13283	44.5
249.14943	1.2
267.15912	24.4
269.17459	56.6
270.17892	1.1
275.49725	0.9
285.16962	37.3
308.49435	0.9
461.28979	44.5
462.29291	1.5
479.30026	100.0
480.30267	2.5
496.16855	1.5
497.17233	1.2
498.17963	1.9
556.18805	2.0
594.20007	1.0
644.23212	1.1
676.26782	21.8
677.26569	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	678.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77870	0.1
50.99048	0.1
54.53998	0.1
55.05480	0.1
56.05022	0.8
57.03416	0.1
58.06618	0.5
60.08158	6.6
60.92686	0.1
61.22521	0.1
67.05492	0.3
69.07057	0.1
70.54959	0.1
71.07365	3.7
71.16376	0.2
71.16695	0.2
79.05486	0.3
81.03410	0.4
81.07032	0.4
83.04984	0.1
83.08595	0.2
85.02899	0.3
86.09695	32.6
87.10043	0.2
91.05472	0.7
93.07025	0.3
95.04984	0.4
95.08572	0.2
98.98457	3.4
104.10731	2.8
105.07024	0.5
107.08602	0.3
109.10110	0.2
109.95724	0.1
119.08551	0.2
121.10122	0.3
124.99991	21.6
133.10098	0.3
143.00992	0.1
147.11734	0.1
151.07552	0.3
152.31085	0.1
167.06990	0.3
175.11151	0.2
184.07320	100.0
185.07654	0.4
193.12224	0.3
211.13321	0.4
253.13940	0.1
271.15387	0.3
402.10309	0.1
445.25833	0.2
450.22525	0.2
462.32993	0.1
463.26846	0.3
468.23529	0.4
480.34491	0.2
481.28036	0.4
608.78308	0.2
660.35706	0.2
678.36084	7.1
679.35645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92226	1.1
71.07932	2.9
79.05459	3.2
81.03373	1.2
81.05779	1.3
82.06560	2.4
91.05469	2.0
93.07024	4.2
94.06551	6.4
95.07327	5.2
96.08128	12.0
97.06483	2.0
100.11225	2.3
103.05482	1.3
106.06560	5.5
107.07354	1.5
108.04423	1.4
108.08105	16.0
110.09666	22.4
118.06512	1.3
120.04436	4.0
120.08080	18.0
122.05988	7.0
122.09616	1.4
124.07576	11.6
132.08058	1.6
134.06041	2.4
136.07565	17.2
138.05464	2.2
138.09114	33.9
144.04414	2.9
146.06000	18.5
146.09581	2.0
148.07556	13.5
150.05515	1.4
150.09149	9.3
152.07076	15.2
158.06013	1.8
160.07567	1.7
162.05487	2.5
162.09128	1.7
164.07050	9.2
166.08620	73.6
172.03935	17.8
172.07562	1.6
176.07063	3.0
178.08482	1.2
182.08138	3.0
190.04994	14.5
197.10742	1.6
198.11502	3.9
199.12386	1.7
204.06519	28.7
209.10664	2.5
210.11453	3.7
211.08662	1.5
211.12230	6.5
212.12929	1.7
213.10222	1.4
218.08139	4.1
221.10690	2.0
222.11320	1.4
223.12254	7.4
224.09250	1.2
225.10173	6.6
225.13591	1.5
226.11023	3.2
227.11684	5.1
235.08618	2.6
235.12251	1.9
236.09341	4.3
236.12880	1.5
237.10149	9.5
237.13866	2.3
238.10942	7.3
239.11703	14.5
240.12439	1.3
241.09650	1.9
241.13390	2.5
245.12970	1.3
246.07607	1.1
248.09435	4.2
249.10211	12.7
250.10930	10.8
251.07883	1.6
251.11778	19.0
252.08948	1.5
252.12494	4.8
253.09532	2.8
253.13297	7.6
255.11256	1.9
256.11951	2.3
257.12817	3.2
262.06940	1.6
263.11755	32.9
264.08838	3.3
264.12476	9.1
265.09686	5.8
265.13303	17.2
266.10541	3.6
266.13882	1.6
267.11322	10.7
268.11832	1.5
269.12860	6.0
271.10873	1.8
271.14392	3.5
273.12283	2.6
275.11792	1.5
277.09750	3.2
278.10327	6.8
279.11249	31.6
280.11823	4.2
281.12766	15.5
282.09933	3.3
283.10754	4.8
283.14270	2.7
284.11600	3.2
285.12289	17.0
287.13898	4.5
291.11246	24.8
292.11905	7.6
293.09589	1.1
293.12769	22.6
294.09689	1.7
295.10706	5.4
295.14011	2.1
296.11615	2.7
297.12299	46.1
297.15714	2.3
298.12964	4.6
299.13870	23.9
304.08701	1.2
305.14984	3.1
307.10577	2.2
309.12311	32.0
310.12802	1.4
311.10153	3.5
311.13834	11.0
315.13348	31.2
319.07202	1.9
319.10718	22.0
321.12277	6.2
323.10336	7.5
323.16116	2.5
325.11792	32.5
326.12103	1.9
327.13431	4.1
330.15918	1.7
337.11777	97.8
338.12207	3.6
339.13370	5.1
341.11359	3.4
343.12955	3.5
346.19180	2.0
355.12695	2.4
357.14578	10.9
359.12463	1.3
369.14526	6.3
370.15430	1.9
371.16089	2.3
372.16840	1.2
373.14017	2.4
390.17767	1.2
398.14801	1.5
399.15674	3.0
401.13467	6.2
404.19785	2.0
416.15811	2.4
422.21005	1.3
430.17505	2.4
432.19183	3.3
444.19232	2.8
446.20679	4.3
448.18439	2.5
449.19427	2.7
450.20126	5.8
458.17130	3.4
462.20270	9.5
464.21909	60.3
465.22253	2.7
472.18359	4.8
474.19733	1.6
476.17896	6.4
478.19720	1.6
482.19043	5.0
490.19675	100.0
491.20465	5.7
491.26132	1.3
492.21146	2.7
494.19083	2.2
508.20996	8.1
522.22308	53.4
523.23047	5.3
587.24585	3.5
603.27814	1.8
611.24890	9.7
619.27594	1.4
629.25867	10.0
647.27100	33.7
648.27258	2.4
679.29138	4.0
679.50531	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	679.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05500	3.2
57.03421	3.4
60.08145	1.2
61.02916	4.6
67.05500	10.0
69.03424	4.9
69.07054	2.8
69.23760	9.2
71.04987	2.2
71.07357	0.7
73.02898	2.3
79.05490	7.0
81.03415	7.9
81.07046	11.8
83.04984	1.5
83.08610	3.4
85.02897	5.4
86.09708	10.6
87.10033	1.6
88.33823	0.9
91.03940	2.9
91.05473	10.0
93.07056	7.2
95.04934	3.9
95.08603	3.6
97.02877	4.3
97.06537	1.7
98.98418	2.0
99.04452	0.9
101.02337	2.1
105.07029	5.6
107.04969	1.6
107.08597	6.1
108.08986	1.0
109.02909	1.1
109.06522	1.4
109.10143	2.3
110.71562	0.8
111.04404	0.9
117.07015	2.4
119.08559	3.6
121.10105	2.8
123.08050	1.3
123.11676	0.9
125.00001	8.9
127.03868	1.8
129.06944	1.1
131.08571	3.8
133.10110	3.5
135.11693	3.0
145.10106	2.9
147.11716	1.6
149.09608	1.4
155.08543	1.1
157.10112	1.1
160.19019	0.8
163.11137	2.0
184.07321	37.6
185.07692	6.8
193.12215	1.5
203.17162	1.1
207.97363	0.9
211.13242	1.6
233.15332	3.8
243.08255	1.5
267.15887	2.2
269.17358	0.9
283.15594	0.9
307.19055	3.3
423.27618	1.4
424.27957	2.7
450.29269	2.8
451.19443	1.6
453.20862	7.4
467.18933	7.1
481.30850	1.2
482.32077	1.9
490.10651	0.9
499.30411	5.4
679.32874	100.0
680.33154	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39956	1.6
53.03939	9.6
55.01854	5.5
55.05495	8.5
57.03411	6.2
57.07054	2.5
61.02901	6.3
67.05499	12.3
68.99758	2.3
69.03065	3.5
69.03417	37.2
69.07064	13.6
70.06569	2.7
71.04984	20.8
71.54212	2.9
73.02888	6.3
77.54226	2.6
79.05473	16.0
81.03403	37.9
81.07045	69.3
83.04975	2.6
83.08597	6.1
85.02889	73.4
87.00811	28.3
88.06509	2.2
91.03938	2.8
91.05403	10.7
93.07031	31.3
95.04954	4.4
95.08596	41.2
97.02882	37.0
97.06514	3.5
97.10128	3.1
99.04428	13.1
99.08070	3.9
103.03941	2.2
105.01846	40.4
105.07024	34.9
107.04929	2.5
107.08573	44.9
109.02869	43.8
109.06477	2.2
109.10141	43.0
111.04406	5.3
111.11715	3.1
113.09602	2.3
119.08562	63.7
121.10137	18.4
123.04389	3.0
123.11708	20.8
125.09623	3.0
127.03896	71.7
127.11173	28.7
129.01857	4.3
131.08537	6.4
133.10117	33.3
135.04443	3.1
135.11671	75.6
137.05959	4.3
137.09601	3.5
137.13213	4.4
141.01775	3.8
143.10623	11.1
145.04935	23.2
145.10110	8.1
147.02853	4.8
147.04231	1.9
147.11642	25.4
149.13214	14.2
151.07495	3.0
153.12700	11.9
157.10049	3.6
159.02872	9.8
159.11606	7.3
161.13222	11.5
163.14781	3.8
165.12738	2.9
173.13185	5.5
175.14789	3.8
177.12787	2.7
183.11569	2.1
184.07214	2.4
184.16612	2.0
187.14696	2.6
189.03891	2.4
189.16409	2.2
201.12814	2.5
201.16241	2.7
203.17918	82.1
204.18199	3.3
205.19530	6.3
213.03931	9.7
219.17390	2.7
221.18976	100.0
222.19128	3.4
223.20438	2.3
231.04987	21.3
231.17482	2.7
239.19984	3.5
247.04570	2.6
249.05994	9.1
263.20093	2.5
264.50214	2.0
273.05945	2.2
287.19885	2.6
291.06949	2.2
293.18887	2.5
303.92514	2.2
305.20917	2.6
311.19968	4.3
329.21057	3.5
339.07205	2.8
357.08179	7.8
365.26044	2.1
375.09171	14.0
383.16901	2.4
393.10699	3.3
410.86655	2.2
433.22250	2.7
438.27151	2.8
451.22977	7.2
451.28564	2.6
469.24124	3.4
471.68106	2.0
523.95068	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	684.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17480	1.1
53.03932	4.5
53.04198	1.2
53.92355	1.1
55.05503	8.5
57.03425	3.1
58.12825	1.3
58.78534	1.2
67.05494	27.4
69.07062	6.8
71.08615	1.6
79.05482	41.8
81.03417	7.8
81.07045	26.3
83.04958	6.3
83.08602	3.5
85.06538	2.9
91.05453	29.8
93.06458	2.7
93.07032	39.7
95.04945	12.3
95.08595	14.3
97.06511	2.2
97.10177	2.1
99.08065	2.0
103.06226	1.2
105.07014	23.4
107.04946	4.1
107.08557	8.9
109.06502	3.9
109.10156	2.4
117.07007	5.2
117.51699	1.2
119.08562	14.0
121.06487	2.5
121.10126	4.8
123.08045	3.4
128.06233	1.7
129.06981	8.5
131.08545	2.1
133.10147	7.1
134.15695	1.2
135.11667	5.3
143.08591	6.6
145.10115	7.7
147.08017	2.0
147.11661	23.8
161.09554	2.4
161.13266	8.9
170.68657	1.3
171.11674	19.4
179.14326	3.9
189.12746	10.0
207.13750	21.8
225.14891	3.7
263.16403	2.1
277.21552	3.3
281.17453	54.9
346.28934	1.5
357.16980	1.4
397.33679	1.8
469.29303	1.9
487.30487	100.0
488.30743	4.5
543.36780	13.8
590.08429	1.3
698.86725	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	686.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.7
63.49947	1.8
66.02597	2.0
69.37959	6.6
69.38383	12.9
71.04981	16.5
73.02880	2.4
83.04993	2.1
85.02892	29.5
91.05437	2.4
97.02869	2.1
98.21482	4.5
103.05450	6.9
107.59312	2.1
117.06988	2.4
119.04967	3.2
129.05481	4.6
131.04912	13.8
135.08073	2.0
137.05966	39.4
143.08554	1.9
145.05206	1.9
145.06432	2.9
149.05969	4.1
151.07526	21.7
157.06418	2.4
161.05949	5.2
163.07527	54.0
175.07526	8.1
177.09087	100.0
189.09077	7.7
195.08101	3.8
195.10159	3.1
195.16022	2.0
203.10533	2.5
219.10178	2.8
221.09729	3.5
221.11713	18.0
227.10780	2.7
253.08556	2.3
255.10127	5.0
285.11096	3.8
287.12750	9.3
299.12930	2.3
311.12766	3.9
313.14218	7.6
331.15363	33.3
343.15347	9.5
367.15201	4.2
660.76550	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	686.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.6
63.76376	0.7
69.03408	1.4
69.52806	5.7
71.04985	10.8
80.55441	0.8
85.02891	11.3
91.05463	2.6
103.05464	5.3
103.06020	1.0
105.07002	0.9
117.07034	2.7
119.04913	2.4
121.06438	1.0
122.03600	2.0
129.05452	3.2
129.06915	0.9
131.04910	14.6
132.21698	0.8
133.06474	1.0
135.18378	0.8
137.05960	27.4
149.05939	1.2
151.07521	11.6
157.06410	1.1
161.05948	3.9
162.06686	1.7
163.07518	41.5
175.07480	5.0
177.09082	100.0
178.09474	1.1
189.09068	3.8
195.08215	0.9
195.10175	2.8
217.08461	1.0
219.10126	2.1
221.09605	1.4
221.11708	22.5
223.07523	1.4
227.10608	2.5
253.08536	1.3
253.12129	1.6
255.10097	1.9
265.08572	1.4
285.11188	1.7
287.12704	3.6
293.11606	0.9
299.12677	1.1
311.12723	3.6
313.14410	5.7
321.11426	1.0
331.15363	18.9
343.15475	4.5
355.15259	1.3
367.15256	2.5
370.12897	1.0
379.71515	0.9
385.16370	2.0
397.16318	1.2
405.06042	1.0
423.18121	1.0
441.18613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.05503	12.4
57.03431	11.6
57.07057	2.6
59.04987	4.5
61.02921	5.5
64.26898	0.9
65.03922	2.8
67.05495	100.0
69.03412	1.4
69.07050	7.4
69.34203	7.9
71.04975	3.3
73.02905	1.5
79.05482	22.5
81.03389	1.3
81.07048	38.3
81.27914	0.8
83.04971	1.4
83.08602	9.1
85.02896	4.3
85.06524	3.3
91.03939	1.9
91.04948	1.2
91.05476	13.9
93.07033	27.7
94.72260	0.8
95.04954	2.7
95.08593	29.8
97.02869	3.2
97.06526	1.5
97.10140	1.6
99.07995	0.8
105.07029	8.3
107.08575	16.1
109.10140	79.8
111.08060	3.2
115.01722	0.7
117.06987	2.6
119.08562	11.5
121.10123	12.1
123.08080	1.1
123.11681	3.8
125.09641	1.3
131.08549	6.7
133.10072	4.3
135.11664	9.7
137.09599	4.0
137.13214	1.2
145.10085	3.9
147.11641	3.7
149.13226	5.2
155.10600	5.2
159.11708	3.9
161.13216	3.9
163.14787	2.7
173.11740	21.2
173.13251	2.9
175.14777	1.0
187.14731	1.4
189.11171	1.4
227.12747	5.1
229.14314	90.9
233.22490	1.6
243.21027	5.9
261.22089	18.7
279.23325	0.9
298.81573	1.0
317.24646	3.6
335.25748	80.1
340.28088	0.8
356.46823	0.9
415.32092	1.8
421.43158	0.8
433.33115	1.1
489.35675	65.9
490.36359	1.9
507.36679	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	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.74441	0.6
55.05506	9.4
56.37448	0.7
57.03180	1.0
57.03432	11.9
57.07053	1.7
58.67384	0.7
59.04998	3.3
61.02921	3.7
65.03923	2.7
67.05495	90.1
68.05821	1.0
69.03409	1.7
69.06765	0.6
69.07060	7.9
69.84956	3.8
71.04967	2.5
73.02879	1.9
79.05479	18.2
81.03404	1.1
81.07047	35.2
83.08611	8.4
85.02898	4.2
85.06511	2.9
91.03936	1.7
91.05469	10.8
93.07033	21.7
95.04942	1.8
95.08594	21.7
97.02859	1.7
97.10143	1.0
105.07002	7.1
107.08586	10.6
109.10140	72.7
110.10430	1.3
111.08070	3.7
117.07000	3.1
119.08565	10.2
121.10136	9.4
123.11684	3.1
125.09576	2.3
131.08546	5.1
133.10120	4.9
135.11671	6.8
137.09589	3.2
137.13239	1.2
145.10078	2.7
147.11653	3.3
149.13228	5.3
155.10643	4.1
159.11670	2.7
161.13231	2.3
163.14828	3.5
173.11739	23.7
173.13249	3.0
185.15781	0.7
187.14763	1.7
189.11124	0.9
201.16357	0.9
227.12708	4.7
229.14322	100.0
230.14618	2.8
243.21046	5.0
261.22098	16.9
262.22479	0.9
317.24701	2.4
326.73996	0.8
335.25751	66.9
336.26074	3.9
377.26675	0.7
415.31732	1.7
471.34540	1.5
489.35672	36.0
490.35809	2.4
507.36728	3.1
512.67139	0.8
596.98669	0.8
687.16852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58225	1.0
51.71991	1.0
51.72230	0.9
53.03934	1.7
55.01852	2.0
56.85992	1.1
57.03416	1.1
65.03938	1.6
67.05492	1.9
68.47002	1.2
71.57490	1.7
79.05477	6.4
81.03400	1.2
81.07032	4.0
83.04958	1.1
85.02910	2.2
91.05462	17.4
91.05983	1.4
92.05795	1.1
93.07037	4.2
94.04166	2.7
95.04963	2.6
95.08599	3.0
103.05442	2.5
105.07000	6.1
107.04937	7.2
107.08577	1.5
109.06486	3.5
109.10118	1.8
111.04372	1.5
115.05439	3.5
117.03380	1.1
117.06999	3.2
118.04166	1.3
119.04928	8.0
119.08588	1.6
121.06472	6.2
121.10144	1.3
122.03632	7.1
123.04404	1.8
123.08070	4.5
123.11671	1.0
129.07004	7.1
131.04883	7.0
131.08546	3.2
133.02805	1.5
133.06520	1.7
135.04413	4.3
135.08026	3.8
136.05185	1.8
137.05952	100.0
137.09595	2.2
141.06969	1.8
143.04904	3.7
145.06476	3.9
146.03575	2.0
146.07220	1.9
147.04396	3.9
147.08040	3.2
147.11723	1.1
148.05167	2.6
149.05972	7.5
149.09654	1.6
151.03886	4.1
151.07512	36.2
157.06491	3.0
159.08090	2.2
161.05959	64.7
161.09581	11.3
163.07520	9.7
165.06975	4.3
165.09081	18.1
166.07809	1.6
167.07019	3.5
167.08492	2.1
168.05714	1.2
173.05853	1.2
174.06772	4.1
175.07521	26.1
177.07005	1.5
177.09114	4.7
178.06178	1.3
178.07700	1.7
179.07063	2.4
179.08435	2.7
181.06494	3.4
183.08044	1.6
185.05914	3.5
187.07555	4.3
189.09073	21.8
191.07031	3.6
191.08580	1.8
193.06512	3.3
193.08569	1.6
194.07257	3.7
195.08057	3.4
195.10153	13.3
197.05882	1.0
199.07545	3.4
201.09064	2.6
202.07787	1.7
203.08630	1.4
205.06500	3.6
206.07181	1.7
207.08034	3.5
207.10144	17.1
209.09477	1.4
210.06857	2.0
211.07542	4.3
213.09030	3.5
218.07159	2.8
219.08003	4.4
219.10155	10.6
221.05969	6.1
222.06717	3.7
223.07487	1.8
224.08269	2.5
225.09152	4.9
227.06982	1.7
231.08098	1.4
233.05978	3.3
233.09641	1.2
234.06706	4.3
235.07486	5.5
236.08301	1.9
237.05415	1.6
237.09071	7.1
238.06236	1.5
239.06940	1.9
239.10623	2.1
240.07672	1.3
245.09557	2.1
246.06741	1.2
247.07591	3.9
248.08279	2.3
249.09122	5.2
250.06227	1.9
251.07019	2.8
251.10637	2.2
252.07796	2.1
253.08469	5.6
254.09311	3.0
255.06503	2.9
255.10211	1.8
259.07321	2.1
261.09091	3.7
262.06201	1.9
262.10022	1.5
263.07031	3.5
264.07794	2.9
265.08554	18.0
266.05695	1.5
266.09293	1.2
267.10156	5.1
268.07208	1.8
269.08075	3.5
269.11694	1.5
270.08847	3.2
271.09692	2.5
273.08887	1.6
274.09851	1.6
275.10431	1.5
276.07858	2.0
277.08560	9.7
277.11493	1.1
278.09015	1.8
279.10095	4.2
281.08020	8.2
282.08813	1.8
283.09518	8.3
284.10361	1.8
285.11197	14.5
287.12921	1.3
288.07898	1.7
289.08539	3.4
290.09283	1.9
291.10144	4.0
293.08032	2.4
293.11768	1.2
294.08765	3.7
295.09576	8.4
296.10489	2.4
297.08105	1.9
297.11212	25.2
299.12906	2.3
303.09967	1.7
305.07834	1.7
305.11456	1.9
307.09662	4.9
309.11307	10.3
311.12769	17.0
313.10837	2.6
313.14359	1.7
315.12268	17.7
317.11334	2.3
319.09564	2.7
321.11249	9.8
323.12762	4.9
325.14297	1.7
327.12555	2.4
329.13690	2.2
333.11163	1.9
335.12729	4.9
337.14386	4.3
337.23813	1.4
341.13763	3.1
343.15591	6.1
344.08771	1.8
345.09888	1.8
349.14316	2.4
353.13858	1.9
355.15402	9.7
367.15375	7.2
397.16406	2.1
413.13843	2.1
431.14856	3.3
433.16245	4.5
437.15872	1.8
443.14859	1.7
445.16473	7.4
457.16101	2.8
459.18335	1.5
461.15811	2.9
463.16916	1.3
465.19067	2.2
469.16342	1.5
471.18158	2.1
475.17639	5.2
477.18671	2.3
485.19464	2.9
489.18893	4.4
489.32101	1.5
497.19281	3.1
503.20737	8.8
515.20612	6.7
527.20697	1.7
609.24469	3.1
621.23840	1.6
627.25391	4.9
639.25732	4.8
651.25708	5.2
657.26263	1.9
669.26416	4.7
687.17133	12.6
687.27643	1.2
714.16925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.3
55.01869	8.7
55.05502	34.6
57.03428	15.6
59.04997	3.0
61.02916	6.3
62.25290	3.1
65.03931	6.9
67.05499	69.5
67.20863	2.7
69.03417	47.3
69.07069	24.1
71.04971	14.2
71.53373	4.9
73.02895	5.8
79.05483	63.3
81.03407	100.0
81.07043	72.6
83.04976	27.4
83.08605	27.2
85.02880	23.0
85.06552	3.8
91.05466	71.9
93.07028	53.5
94.99206	3.0
95.04961	30.9
95.08596	37.6
95.18858	3.2
97.02892	18.7
97.06509	9.9
97.10178	9.9
99.04433	8.9
99.08091	3.4
105.07019	58.8
107.04913	14.8
107.08594	34.3
109.02855	19.6
109.06499	10.0
109.10143	17.9
111.04413	11.4
111.08070	12.4
115.05441	9.9
117.07008	29.8
119.08546	34.5
121.06483	5.9
121.10104	23.8
123.08007	4.3
123.11684	7.5
125.09615	7.4
127.03893	8.5
127.07515	3.1
128.06187	7.3
129.05513	5.0
129.06995	31.7
131.08562	39.5
133.06459	9.0
133.10100	23.6
135.08020	12.1
135.11676	14.8
137.05939	4.5
137.09564	5.0
141.06989	14.6
142.07822	7.2
143.08542	27.7
145.06398	6.3
145.10101	33.0
147.08040	7.4
147.11676	24.8
149.09608	10.5
149.13220	6.3
151.11180	4.0
152.06201	3.0
153.09103	3.2
153.12756	3.4
154.07736	4.9
155.08530	20.3
157.06508	3.5
157.10114	33.0
159.08057	6.3
159.11656	21.1
161.09692	3.5
161.13222	6.4
163.11166	4.4
165.07042	5.4
165.12682	6.7
167.08612	14.3
169.10043	20.1
171.07985	5.6
171.11700	18.3
173.04449	20.0
173.09528	5.8
173.13281	11.1
174.40053	3.1
175.11150	11.1
179.08543	7.4
181.10085	11.3
181.12238	3.2
183.08063	3.6
183.11572	18.1
185.09666	9.2
185.13243	10.8
187.11179	5.2
187.14830	5.8
189.12712	3.8
191.10515	5.2
193.10150	7.8
193.12198	25.2
195.08083	3.2
195.11682	13.1
197.09589	4.5
197.13136	14.7
199.11205	4.3
199.14705	6.5
201.12677	4.0
203.10667	3.2
205.10098	4.1
207.11662	7.8
209.13272	10.4
211.11198	6.0
211.13252	24.6
211.14935	3.7
219.11671	3.3
221.13257	6.4
221.71185	3.2
223.11092	3.6
223.14801	7.4
227.12654	6.7
231.11688	4.8
235.11169	3.4
235.14734	5.0
237.12628	4.8
240.14601	3.7
255.13774	4.3
257.19043	7.5
259.20520	7.4
267.15927	8.1
271.20502	4.8
275.20035	12.7
283.20505	3.3
285.16971	8.6
287.20105	4.1
295.20660	4.1
297.22083	3.4
307.20663	4.6
321.22287	3.2
325.21582	6.0
339.23044	6.1
341.07495	3.6
349.21515	11.2
367.22571	9.4
385.23685	9.1
403.22375	3.6
433.30841	10.7
441.26465	4.3
451.32239	5.8
523.33472	3.4
525.35675	54.8
527.37244	4.5
543.36560	13.0
609.38629	4.7
633.37274	7.1
651.38678	23.9
665.15881	4.3
669.39978	24.7
687.29645	6.0
687.40955	81.7
687.52728	6.6
688.41248	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	688.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.47832	0.8
54.89830	0.9
55.01870	7.2
55.05504	13.4
56.92783	0.9
57.03434	7.5
57.07057	1.3
58.28371	0.8
59.04976	1.8
61.02913	3.2
67.05497	9.7
69.03445	1.1
69.07053	3.5
71.04984	4.3
71.56273	1.5
79.05480	12.9
81.03399	9.7
81.07041	13.6
83.01337	6.8
83.04971	8.2
83.08611	8.6
85.02885	5.6
91.03931	1.6
91.05468	10.8
93.07027	17.3
95.04969	5.9
95.08594	7.1
97.02877	3.1
97.06520	3.2
97.10145	2.0
98.15690	0.9
99.04440	3.4
105.07030	7.1
107.04949	5.7
107.08577	10.5
107.83144	0.9
109.06516	5.5
109.10148	2.0
111.04408	2.5
113.56566	0.9
117.06995	5.9
119.08554	5.6
121.06504	3.2
121.10130	5.6
123.08066	7.9
125.05989	1.7
125.09638	1.1
129.07031	1.7
131.08571	2.9
133.10124	1.8
135.08015	2.0
135.11685	9.2
137.09619	1.3
139.07533	0.9
145.06528	0.9
145.10091	11.6
147.08063	2.1
147.11629	1.1
153.12726	2.0
155.08498	1.0
163.11163	19.6
173.09593	2.4
181.12239	3.3
191.10660	2.5
209.11647	5.2
226.01701	1.0
227.12794	3.1
256.88113	1.0
259.63412	1.0
283.15356	100.0
284.15756	1.3
298.70413	1.0
366.62161	0.8
463.01422	0.9
491.26328	50.0
492.26852	2.0
530.35284	1.0
688.17279	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	688.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.2
53.03940	6.9
55.01854	4.8
55.05503	17.0
57.03435	11.3
61.02924	1.2
65.03925	2.1
66.23138	1.0
67.05497	45.1
69.03413	3.8
69.07059	10.2
70.24886	1.1
71.04969	4.3
71.53193	1.3
73.02910	1.3
79.05484	64.1
80.05798	1.2
81.02919	1.8
81.03407	45.6
81.07043	46.3
83.04969	19.0
83.08611	16.6
85.02893	14.2
85.06528	2.9
91.05470	54.8
93.07033	56.5
95.04951	29.7
95.08037	1.8
95.08597	20.3
97.02880	4.3
97.06541	4.7
97.10159	4.1
99.08101	1.7
105.04489	2.1
105.07018	40.4
107.04946	9.5
107.08572	14.2
109.02848	1.1
109.06533	6.5
109.10133	3.6
111.04426	1.5
111.08049	6.7
113.05975	1.3
115.05447	1.8
117.07003	7.8
119.08569	28.8
121.06487	2.8
121.10129	8.5
123.08054	7.0
125.09641	1.0
127.03881	1.1
128.06241	1.4
129.06989	18.4
131.08571	8.1
133.06444	3.4
133.10107	13.0
135.11655	1.6
142.07748	2.0
143.08537	8.1
145.10098	8.5
147.08037	4.0
147.10481	2.1
147.11668	37.8
149.09608	2.6
157.10104	8.1
159.11668	1.5
159.73927	1.1
161.09596	2.6
161.13202	8.5
165.12671	1.3
171.11668	20.6
173.04558	0.9
175.11165	7.9
179.14279	1.0
189.12689	7.5
193.12219	27.0
194.12534	1.0
207.13779	29.4
208.14104	1.2
211.13271	35.1
225.14804	1.9
267.15860	35.1
281.17441	100.0
282.17874	5.6
285.16925	32.2
455.27600	1.5
473.28931	85.4
474.29337	5.3
491.30011	91.3
492.30292	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.5
53.03943	19.4
55.01862	6.8
55.05302	2.3
55.05505	27.1
57.03430	13.7
65.03922	5.7
67.05497	75.0
69.03421	30.7
69.07059	22.6
69.81215	11.4
71.04987	12.4
79.05486	84.4
79.05953	4.1
81.03407	100.0
81.07044	81.4
83.04967	21.8
83.08598	24.5
85.02890	18.5
85.06506	4.3
91.05471	60.1
93.07033	67.9
95.04963	31.1
95.08590	44.8
97.02881	21.7
97.06525	10.8
97.10158	5.5
99.04436	7.4
99.08088	3.4
103.03886	2.1
105.07020	51.9
107.04951	6.2
107.08580	34.4
109.02861	17.7
109.06500	11.5
109.10120	16.3
111.04424	13.4
111.08055	11.0
115.05430	4.2
116.06182	1.9
117.07009	14.7
119.04897	2.3
119.08573	33.2
121.06484	8.7
121.10130	29.9
122.32281	2.1
123.04423	3.7
123.08076	5.1
123.11710	5.4
125.09637	3.4
127.03895	11.9
128.06184	4.8
129.05467	3.8
129.06972	18.4
131.08565	27.0
133.06514	4.5
133.10110	21.5
135.08041	3.1
135.11662	15.2
141.06967	3.7
142.07730	3.5
143.08530	10.1
145.06473	4.5
145.10094	19.9
147.08011	3.4
147.11664	31.2
149.05893	2.5
149.09604	3.6
149.13237	4.1
155.08569	5.0
157.06461	2.5
157.10100	14.2
159.08054	3.5
159.11649	14.8
161.09612	2.8
161.13202	3.4
163.11211	5.3
165.12706	9.0
169.10097	3.8
171.11711	6.4
173.04340	5.2
173.13243	8.0
175.11186	12.5
175.14810	2.1
181.12253	3.3
183.11678	3.9
184.07352	2.7
185.13216	6.5
187.11183	2.4
189.09236	2.1
189.12857	2.7
191.10616	5.4
193.12219	42.2
195.11620	2.6
199.11191	2.4
209.13379	4.5
211.13245	60.3
211.15193	3.2
213.16368	2.1
227.12671	4.3
243.20998	2.4
259.20517	4.8
261.22131	2.9
267.15930	9.4
273.14688	2.4
273.17993	2.4
283.15323	2.2
285.16980	8.2
301.14240	2.3
301.21542	4.7
312.36420	2.2
317.24832	4.3
335.25824	13.6
337.16519	3.9
339.23019	2.3
351.23187	3.0
355.17462	6.5
369.24130	7.7
387.25113	3.9
405.25995	2.7
411.19876	5.5
443.27872	2.2
459.55765	2.3
461.28741	4.4
464.12012	2.0
519.63452	2.5
527.37378	19.9
545.37927	8.6
587.40601	2.2
603.03369	2.6
633.32275	2.4
653.40442	4.1
671.41241	8.9
689.42426	64.2
690.42804	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.3
51.02372	3.2
53.03932	11.0
55.01874	8.2
55.05503	33.4
57.03430	14.5
57.07059	3.4
59.04990	1.8
61.02918	3.5
65.03932	7.9
67.05496	80.1
69.03423	32.1
69.07059	23.1
70.16283	2.4
70.16692	5.0
71.01350	2.3
71.04980	12.6
73.02889	3.5
75.37579	1.6
77.03919	2.2
79.05484	70.5
79.05951	3.4
81.03410	100.0
81.07049	88.6
83.04974	17.4
83.08610	23.5
85.02894	18.2
85.06548	4.5
86.09690	3.6
91.05471	65.3
93.07033	69.1
95.01343	1.5
95.04958	47.5
95.08598	56.3
96.08947	1.6
97.02882	23.7
97.06506	11.1
97.10159	8.8
99.04460	8.9
99.08098	3.2
103.03937	3.9
103.05448	3.6
105.04506	3.8
105.07019	49.6
106.07343	1.5
107.04311	2.4
107.04942	13.0
107.08580	43.0
107.09268	2.7
109.02855	16.7
109.03426	1.4
109.06505	9.7
109.10146	22.2
111.04433	12.0
111.08060	8.7
115.05465	5.3
117.06998	24.3
119.04902	3.3
119.08566	41.6
120.08929	1.5
121.06521	8.9
121.10133	31.7
123.04420	11.0
123.08070	6.6
123.11684	7.6
125.09636	6.4
126.65912	1.5
127.03913	10.8
128.06223	4.4
129.05466	4.0
129.06976	20.6
131.04907	1.7
131.08556	38.8
131.09492	2.5
132.03909	1.6
133.06523	7.2
133.10112	26.0
135.08032	7.0
135.11678	16.0
137.05956	2.5
137.09660	3.2
137.13271	2.3
139.11183	1.8
141.06984	6.2
142.07770	3.7
143.08549	12.8
145.06458	4.3
145.10109	25.6
147.04417	3.8
147.08022	7.1
147.11665	25.7
149.05984	2.5
149.09615	7.7
149.13292	6.3
151.11171	2.5
153.07018	2.3
153.09123	2.2
153.12746	2.4
155.08528	8.0
156.09348	1.9
157.06490	2.8
157.10112	17.1
159.08069	4.1
159.11665	18.2
161.06027	2.9
161.09691	4.1
161.13226	8.1
163.07439	1.6
163.11116	9.3
163.14804	1.7
165.05307	1.4
165.07140	1.5
165.12796	5.4
167.08583	2.3
169.10127	6.0
171.08031	1.8
171.11658	11.8
173.04460	8.0
173.05856	1.7
173.09633	5.7
173.13254	10.5
175.11185	10.5
175.14839	3.5
177.12749	4.0
179.08537	2.0
181.10172	4.4
181.12270	3.1
183.08080	1.5
183.11728	7.2
184.07333	6.0
185.09587	2.0
185.13277	8.1
187.11212	2.6
187.14857	4.2
189.11211	1.9
189.12740	5.0
191.10706	5.2
193.10367	2.8
193.12225	32.5
195.11761	4.4
195.13670	1.8
197.13246	5.4
199.14819	4.9
201.12817	2.3
203.14374	1.8
205.12267	2.5
207.13809	1.6
209.13362	3.2
211.11330	2.1
211.13231	41.7
213.12697	1.8
213.16335	1.6
217.12320	2.3
221.13351	2.8
223.14960	2.5
225.12863	2.7
227.12685	3.4
229.12369	2.1
229.14258	3.0
231.13881	2.4
235.13168	14.3
241.15909	2.1
243.21217	2.7
245.15530	1.9
249.14812	2.8
255.13727	1.8
259.13309	4.5
259.20700	3.5
261.22150	8.0
267.15839	11.1
269.17535	2.2
271.20798	2.0
273.14697	8.6
275.20279	1.6
277.14450	3.2
277.21655	2.3
283.13052	2.6
285.17136	6.5
289.21561	2.8
291.15942	2.0
296.30035	1.6
297.22073	2.4
301.14246	11.0
301.21744	4.4
309.16940	2.5
311.20038	1.9
313.21725	2.2
315.23129	2.1
317.24927	2.5
319.15399	4.7
322.54559	1.7
323.23788	3.0
327.23395	2.9
333.24380	2.3
335.25848	22.8
337.16464	5.3
339.23050	2.2
341.24872	2.0
351.18350	2.1
351.22931	3.0
355.17648	4.6
369.24060	7.8
375.18192	3.5
375.26031	1.7
387.25269	4.4
393.19247	5.0
403.26541	1.6
411.20175	5.9
431.27884	1.6
435.32458	3.0
437.28784	3.0
443.27853	2.9
461.29102	3.9
527.37268	28.1
528.37506	3.2
543.35431	2.2
545.38489	7.6
569.38391	5.3
580.65631	1.8
611.40375	2.4
635.39478	4.7
641.40515	2.0
653.40143	9.9
671.41644	11.1
689.42456	53.1
690.42615	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03721	1.6
53.03939	11.6
55.01855	5.5
55.05503	28.7
57.03434	12.5
57.07072	1.7
65.03930	5.4
67.05496	66.9
69.03068	2.5
69.03421	34.6
69.07056	17.2
69.31491	4.1
69.31903	9.8
69.66692	1.2
71.01337	1.9
71.04986	9.3
79.05482	70.4
80.05801	1.9
81.03409	100.0
81.07047	68.5
83.04970	21.2
83.08599	21.9
85.02887	18.2
85.06557	2.6
85.58885	1.3
91.05467	55.2
93.07031	64.3
95.04956	31.2
95.08597	40.2
96.06181	1.2
97.02890	20.2
97.06518	9.2
97.10130	6.5
99.04427	6.5
99.08076	2.1
101.26511	1.3
103.05453	2.8
105.04526	3.0
105.07017	43.8
107.04927	8.9
107.08585	30.3
108.08821	1.6
109.02862	19.1
109.06516	8.8
109.10126	17.7
111.04429	12.5
111.08037	8.8
113.05998	1.8
115.05445	4.4
117.07008	16.1
119.08567	34.5
121.06526	5.5
121.10125	27.8
123.04417	3.3
123.08038	4.0
123.11692	5.4
125.09611	3.1
127.03897	12.8
127.07588	1.6
128.06256	2.4
129.05449	3.5
129.06961	15.9
130.07785	1.7
131.08542	28.7
131.10146	1.5
133.06476	4.6
133.10115	20.0
135.08029	4.6
135.11670	15.5
137.09619	3.9
141.06966	3.6
142.07779	3.9
142.62904	1.4
143.08556	8.4
145.06544	3.3
145.10114	13.3
147.04366	1.6
147.08047	5.9
147.11676	21.5
149.09604	7.0
149.13252	5.4
153.12729	2.4
155.08572	4.2
157.06476	1.7
157.10097	18.5
157.11295	1.7
159.08089	3.1
159.11667	12.0
161.09656	2.3
161.13208	5.7
163.11147	4.6
165.12727	5.2
167.08528	2.7
169.10133	3.9
171.08046	1.8
171.11661	6.2
173.04485	2.8
173.09604	2.8
173.13245	7.0
175.11174	15.6
175.14798	3.2
177.12761	1.6
181.10071	1.5
181.12245	4.4
183.11681	2.6
185.13268	5.6
187.14783	2.7
189.11192	2.1
189.12802	2.3
191.10789	4.1
193.12213	47.3
195.11659	3.1
195.13594	1.4
196.08871	1.4
197.13286	4.8
199.14848	2.2
205.12219	1.5
207.13989	1.8
211.11339	2.2
211.13239	62.9
212.13573	1.9
215.17967	1.7
216.70689	1.5
221.13170	1.8
222.31015	1.5
227.12747	4.6
229.14319	2.4
239.14220	1.7
243.21046	2.0
255.13869	2.0
259.20435	2.4
261.22141	7.0
265.14249	2.0
267.15829	9.8
271.20480	1.6
273.14911	2.5
277.21649	3.4
283.15720	1.8
285.16904	7.6
301.14380	1.9
301.21515	3.7
315.23004	2.0
317.24634	2.6
319.15378	2.2
327.23245	2.1
335.25824	16.5
337.16473	2.5
341.24957	2.0
351.23233	4.1
355.17465	6.8
363.25381	2.0
369.24112	7.9
370.24533	2.2
375.25287	1.4
387.25293	6.0
405.26694	2.8
411.20255	5.2
425.26553	1.9
443.27859	4.9
461.28970	3.1
479.29623	1.7
527.37732	10.7
545.38391	9.7
653.40277	7.2
671.41302	6.8
689.42487	65.1
690.42792	5.5
705.53607	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	690.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20904	0.8
51.21469	0.8
53.03936	2.4
55.01873	3.4
55.05502	10.8
57.03429	10.7
61.02930	1.1
65.03936	1.7
67.05495	18.3
69.03424	2.3
69.07060	7.4
69.85760	1.9
69.86166	3.3
71.04983	4.7
73.02911	1.9
79.05482	25.2
81.03409	33.6
81.07042	23.6
83.04976	8.5
83.08604	16.4
85.02893	14.3
91.05470	17.1
93.07030	30.0
95.04956	17.1
95.08591	25.4
97.02898	4.4
97.06529	5.6
97.10155	2.2
98.20805	1.3
99.04445	3.3
105.07023	13.9
107.04948	9.0
107.08584	21.2
109.06507	3.6
109.10136	2.7
111.04450	2.4
111.08044	6.3
113.05968	1.3
117.06980	6.3
119.08560	15.9
121.06512	4.4
121.10128	13.1
123.08032	3.0
125.05984	2.1
125.09641	1.4
127.07527	1.0
129.06981	3.7
130.07800	1.1
131.08574	8.0
133.06401	1.3
133.10118	6.9
135.08070	1.8
135.11676	34.3
137.09615	1.6
139.07529	1.1
142.07787	1.1
145.10101	22.1
147.08032	1.6
147.11646	6.8
149.09613	2.4
153.12779	1.1
155.83456	0.9
157.10091	8.0
160.35501	1.1
163.11169	40.5
164.11526	1.0
165.12689	1.5
173.09665	1.6
175.11162	7.8
181.12216	8.5
193.12234	25.9
205.37354	0.9
209.11708	1.1
211.13266	34.4
212.13628	1.0
217.59596	0.9
227.12753	55.1
267.15897	27.5
283.15359	60.0
284.15714	1.3
285.16928	56.7
286.17297	1.5
466.55722	1.0
475.26852	28.6
476.27100	0.9
493.27921	100.0
494.28351	4.7
505.07428	0.9
640.57849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01864	6.6
55.05257	1.0
55.05504	17.2
57.03436	12.4
57.07077	1.1
57.77913	0.9
59.04979	1.7
61.02922	4.0
67.05148	1.7
67.05495	18.1
67.18546	0.8
69.03410	3.7
69.07046	3.4
70.73782	1.2
70.74117	1.7
71.01322	1.0
71.04973	4.0
73.02885	1.1
79.05482	21.1
81.03406	38.9
81.07050	21.9
82.17302	0.8
83.01340	4.5
83.04972	14.2
83.08611	19.4
83.36251	0.9
85.02891	18.9
91.03952	1.8
91.05471	21.0
93.06449	1.0
93.07034	19.2
95.04956	18.6
95.08585	8.8
97.02850	5.9
97.06508	5.2
97.10156	2.3
99.04430	2.6
102.05397	0.9
105.06377	0.9
105.07018	13.0
107.04961	6.8
107.08582	10.6
109.06519	6.3
109.10123	2.8
111.04417	2.6
111.08078	5.7
113.05992	1.1
115.05419	1.3
117.07014	5.2
119.04903	0.8
119.08572	13.8
120.88703	0.9
121.06490	3.7
121.10126	7.6
123.08049	5.4
123.11678	1.1
125.05999	1.7
125.09625	0.9
129.06989	7.8
131.08527	7.7
133.10100	7.5
135.08101	1.4
135.11699	8.4
137.09581	1.4
142.07713	1.5
145.10103	9.9
147.08017	2.7
147.11673	9.1
149.09584	5.0
153.12747	2.0
157.10104	8.9
163.11160	15.7
165.12759	2.5
173.09650	2.1
175.11179	9.1
181.12250	2.7
191.10611	1.2
193.12236	26.5
206.92851	0.8
209.11711	4.8
211.13278	50.7
212.13525	1.9
227.12755	3.0
259.58002	0.9
267.15866	9.5
283.15366	52.8
284.15738	1.9
285.16934	37.3
286.17401	1.0
330.76431	0.8
383.22253	2.3
386.96915	0.8
401.23248	1.1
457.25635	2.5
475.26901	14.1
493.27902	100.0
494.28448	7.6
676.03717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	1.5
55.05510	3.6
57.03428	2.5
57.07067	0.8
61.02921	5.8
65.03951	1.0
67.05499	14.8
69.03429	5.6
69.07061	4.2
70.57869	2.0
70.70053	0.6
71.04975	2.9
73.02916	5.8
75.49595	0.6
77.39342	0.6
79.05490	6.9
81.03410	9.5
81.07052	12.3
83.04974	2.0
83.08615	3.6
85.02907	7.4
85.06487	0.7
86.09696	2.6
87.10036	1.1
91.03949	3.9
91.05473	5.6
93.06521	1.0
93.07038	8.1
95.04961	3.0
95.08596	8.1
97.02885	6.3
97.06535	1.1
97.10123	1.5
98.98437	1.6
99.04440	1.5
101.02367	0.9
104.98087	0.8
105.07019	3.8
107.04974	1.3
107.08582	3.6
109.02895	1.6
109.06532	0.7
109.10146	7.5
111.04433	1.6
117.07022	1.3
119.08563	3.8
121.10154	2.9
123.08035	0.7
123.11694	1.3
124.99999	2.5
127.03921	1.8
129.07014	1.2
131.08556	2.5
133.10118	2.5
135.11717	2.1
137.09569	0.8
145.10095	1.0
147.11681	1.8
149.09564	0.8
149.13303	1.0
158.07562	0.6
161.13295	0.8
163.11186	0.9
164.85359	0.7
173.11761	1.3
173.13174	0.6
175.11156	0.9
184.07341	8.5
185.07695	2.3
185.09612	0.7
186.07765	1.9
193.12289	2.4
209.11716	1.5
211.13280	3.8
219.13786	0.9
227.12810	1.1
229.14392	0.9
243.08392	1.7
311.26035	0.7
387.13284	0.7
411.20438	0.8
413.17838	4.8
519.29291	8.9
519.36829	2.7
544.08167	0.7
547.40002	1.1
550.41626	0.8
673.43286	0.9
691.40186	100.0
692.40729	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	691.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01847	1.3
55.05505	5.4
57.03432	3.4
57.07069	1.1
60.08140	0.7
61.02920	6.1
65.03911	0.7
67.05497	15.4
69.03426	5.2
69.07052	4.0
70.49516	1.7
71.01358	1.0
71.04974	2.1
73.02917	5.0
79.05485	7.5
81.03413	8.3
81.07052	12.0
83.04977	1.8
83.08593	2.6
85.02893	6.8
86.09702	2.7
91.03945	3.4
91.05489	5.0
93.07043	7.8
95.04951	2.4
95.08607	7.5
97.02888	7.1
97.06496	1.0
97.10120	1.0
98.98456	0.8
99.04428	1.0
99.08071	0.7
101.02376	1.8
103.03894	0.8
105.07041	3.0
107.04954	0.6
107.08554	3.2
109.02877	2.1
109.06477	0.6
109.10141	8.9
111.04449	1.7
111.08076	1.4
115.03909	0.7
117.06950	1.0
119.08563	4.1
121.10134	3.5
123.11707	1.4
124.99976	0.6
125.09655	0.6
126.21704	0.5
127.03905	1.5
131.08531	1.6
133.10100	1.8
135.11671	2.2
137.09624	1.0
145.06398	0.8
145.10114	1.2
147.08041	0.6
147.11646	1.8
157.10074	0.7
158.71872	0.6
159.11711	0.5
163.11174	0.8
173.11803	1.4
184.07323	6.0
185.07707	1.4
186.07739	1.6
187.08015	0.6
193.12233	2.4
195.09900	1.3
209.11705	1.0
211.13255	2.9
214.29900	0.6
227.12730	0.9
229.14221	1.1
243.08215	1.5
261.22180	0.6
267.15823	0.6
286.01190	0.6
337.27475	1.2
355.17511	1.2
413.17758	4.3
519.29388	10.2
519.36731	1.8
529.38995	1.1
547.39868	0.8
550.42102	0.8
691.40173	100.0
692.40430	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	691.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40138	5.1
53.03939	7.5
55.01864	6.0
55.05504	30.9
56.93991	4.6
57.03426	12.5
65.03941	5.6
67.05492	81.2
69.03422	21.5
69.07053	32.6
71.04973	8.0
71.54006	5.5
79.05492	50.4
79.65440	4.8
81.03404	46.7
81.07044	100.0
83.04985	24.2
83.08601	23.4
85.02904	7.0
91.05465	48.9
93.07035	62.0
95.04951	14.8
95.08591	56.4
97.02883	12.2
97.06506	12.6
97.10165	6.6
99.04444	6.2
99.08047	9.6
105.07022	35.9
107.08575	46.8
109.02841	5.4
109.06503	8.3
109.10133	23.1
111.04443	6.5
117.06996	21.3
119.08548	32.2
121.06473	7.2
121.10092	26.5
123.08094	10.1
123.11701	10.8
127.03856	8.4
129.05440	12.0
129.06903	8.7
131.08565	25.4
133.06400	6.0
133.10103	19.4
135.11670	22.8
139.50113	5.1
141.07024	5.2
143.08540	10.9
145.10120	20.3
147.11678	29.7
149.09505	7.8
149.13235	19.5
157.10133	6.1
159.11690	21.5
161.09624	5.2
161.11900	5.4
161.13222	10.2
163.11140	11.2
169.10086	7.4
173.13306	10.6
175.11171	9.0
177.12727	10.6
183.01927	4.8
183.11623	6.7
184.07323	12.1
195.13814	15.6
197.13286	7.1
257.15228	6.1
267.15921	10.2
269.17459	29.1
335.25894	12.4
337.27432	10.8
341.24722	5.1
369.24072	17.4
404.93109	5.1
413.21442	7.9
443.27530	6.1
461.29318	8.4
479.30032	5.7
485.67557	5.8
519.36578	21.3
529.38770	20.8
547.40375	6.9
605.50964	5.0
655.41669	6.9
673.43903	10.4
691.31061	25.8
691.43427	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	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01860	5.0
55.05503	26.0
57.03420	13.9
60.08148	7.1
61.02920	2.8
62.66734	3.0
65.03914	3.5
67.05493	91.8
69.03419	23.2
69.07053	30.2
71.04970	7.4
71.08592	3.7
71.53819	4.0
79.05476	57.0
81.03410	41.6
81.06570	6.0
81.07045	100.0
83.04977	23.7
83.08602	22.1
85.02912	7.5
85.06517	4.8
86.09695	24.8
91.05469	52.2
93.07028	63.5
95.04964	15.3
95.08591	56.0
97.02875	12.9
97.06524	13.2
97.10160	4.0
99.04434	4.1
99.08039	2.9
101.85105	2.6
105.07014	41.7
107.04932	5.8
107.08582	37.6
109.02871	6.3
109.06542	5.1
109.10143	18.5
111.04446	8.0
111.08076	4.5
115.05437	3.0
117.07018	16.8
119.08561	27.8
121.06498	4.5
121.10133	26.1
123.04438	3.5
123.08040	4.6
123.11706	13.2
124.99979	16.4
125.05967	3.8
125.09595	5.1
127.03895	7.4
127.26404	2.6
128.06226	3.6
129.05444	9.0
129.06990	6.0
129.91054	2.4
131.08536	25.5
132.35561	3.0
133.06445	5.2
133.10115	18.6
135.08064	3.8
135.11671	19.8
137.09564	5.2
143.08531	9.9
145.10088	19.6
147.11665	25.0
149.13196	17.5
151.28624	2.5
155.08511	8.3
157.10081	8.6
159.11668	19.3
161.13231	8.0
163.11208	8.1
165.12747	5.4
166.07744	2.8
169.10057	4.4
171.11659	5.7
173.09663	2.9
173.13231	11.1
175.11171	3.6
177.12698	5.5
184.07307	79.1
185.07710	10.9
185.13255	4.4
187.11053	3.7
194.86618	2.9
195.13783	9.9
209.13297	5.1
227.12682	6.6
259.20422	3.1
261.22174	6.3
267.15967	6.1
269.17477	28.6
277.21823	2.8
285.17078	3.3
291.23001	2.6
293.26282	3.1
301.21423	3.6
303.23154	3.2
326.25565	3.4
335.25674	16.7
337.27509	5.3
339.18039	5.3
345.24506	3.6
351.22888	5.1
369.24213	6.2
387.25287	5.6
405.26630	2.9
413.21744	4.3
461.28665	3.3
479.29968	3.2
519.36743	17.2
529.38763	43.3
547.39471	3.9
637.40442	3.7
655.41760	3.1
673.43097	14.4
691.43732	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05499	18.9
55.38873	1.2
57.03426	16.0
59.04976	1.6
61.02909	4.1
65.03929	1.5
67.05494	21.2
69.03423	5.7
69.07054	6.7
70.98065	2.3
70.98406	3.0
71.04985	4.1
71.52747	1.3
76.49554	1.3
79.05478	25.6
81.03407	73.8
81.07046	32.0
83.04971	18.3
83.08607	25.2
85.02892	27.6
85.32243	1.4
91.03980	1.6
91.05467	34.0
93.07039	17.3
95.04951	30.5
95.08582	13.1
97.02873	4.4
97.06512	3.4
97.10142	5.0
99.08105	1.9
105.07021	23.6
107.04942	5.9
107.08550	6.5
109.06500	3.6
111.04438	2.5
111.08061	11.4
113.05981	3.9
115.05379	1.7
117.06970	2.4
119.08566	17.6
121.10126	11.4
123.08025	2.8
123.11714	1.6
125.09602	1.8
129.06958	13.0
131.08557	11.0
133.06493	3.1
133.10117	11.4
137.09537	1.4
142.07780	2.3
147.07979	2.1
147.11676	19.0
149.09601	7.7
157.10112	17.7
163.11136	1.4
165.12724	3.9
175.11137	18.1
193.12209	56.8
194.12505	2.0
211.13254	100.0
212.13618	2.2
217.17760	1.5
267.15857	38.8
285.16919	86.6
286.17215	2.7
349.21490	2.0
367.22800	2.2
385.23938	2.8
403.24625	1.7
441.26035	2.2
459.27277	18.6
460.27707	1.7
477.28452	27.2
478.28616	1.8
495.29465	70.8
496.29504	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	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01852	6.8
55.05503	34.7
57.03143	2.0
57.03423	23.8
57.07047	2.4
59.04981	4.0
61.02917	10.4
65.03917	3.7
67.05495	100.0
68.05816	1.3
69.03411	4.4
69.07057	18.1
71.01334	1.6
71.04975	6.7
73.02898	5.8
79.05482	42.3
81.03412	14.3
81.07046	73.0
82.07366	1.4
83.01351	1.4
83.04970	10.3
83.08611	21.7
85.02895	19.3
85.06515	4.4
85.46716	1.1
87.04452	6.0
90.57196	1.0
91.03937	4.2
91.05463	29.4
93.07030	45.6
95.04960	10.1
95.08039	1.8
95.08595	21.7
97.02869	6.7
97.06521	11.2
97.10146	15.4
97.61591	1.1
99.04394	1.8
99.08073	2.7
101.09682	1.1
103.03915	1.7
105.07007	13.1
107.04945	3.4
107.08582	27.0
109.06493	3.9
109.10143	52.2
111.04417	3.6
111.08067	9.0
113.05959	1.1
116.04704	1.7
117.06992	9.0
119.08570	10.6
121.06459	1.9
121.10114	12.7
123.08068	2.2
123.11684	3.1
125.09608	17.3
125.16930	1.1
129.05453	4.9
129.06984	2.9
131.08530	8.1
133.10107	10.9
135.08008	2.4
135.11682	10.1
135.54080	1.0
137.09575	3.3
139.11168	1.4
143.08536	1.1
143.10669	4.1
145.10097	5.9
147.11638	4.9
149.09634	2.0
149.13235	16.5
151.11072	1.5
153.12700	4.9
155.10622	3.5
157.10129	1.5
159.11641	6.3
163.11137	9.8
165.12721	3.9
168.94261	1.1
173.09605	2.9
173.11725	17.7
175.11121	1.3
177.12698	4.1
181.12213	2.9
189.11226	1.2
191.10555	2.4
193.12206	6.3
195.13774	16.8
197.30202	1.0
199.13229	8.1
209.11676	8.6
211.13280	4.3
213.14841	3.7
227.12648	8.0
229.14314	60.0
230.14746	1.8
239.16383	4.6
257.13809	1.8
267.15863	11.0
269.17435	66.7
270.17813	2.4
283.15387	4.8
285.16806	2.3
301.16406	20.4
313.16400	1.3
323.18469	2.7
357.24191	1.3
393.26053	2.7
411.27390	7.5
422.26849	1.2
423.27338	35.7
424.27679	2.6
431.27820	2.9
477.27972	2.9
495.29434	62.5
496.29562	4.2
513.30548	28.2
514.30389	1.6
535.28613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98126	1.3
52.60918	1.1
53.03921	3.9
55.01863	9.6
55.05505	34.2
57.03425	18.1
57.07066	1.6
59.04979	2.8
61.02919	8.9
65.03915	2.4
67.05495	100.0
68.91229	1.2
69.03408	4.2
69.06721	1.4
69.07063	19.8
69.44595	5.0
69.45026	5.1
71.01331	1.9
71.04974	6.3
73.02895	5.3
79.05482	45.2
81.03410	15.4
81.07044	83.0
83.04964	11.9
83.08608	22.6
85.02899	17.4
85.06523	4.7
87.04446	4.7
91.03931	4.0
91.05469	30.7
93.07030	48.9
94.07325	1.5
95.04961	9.1
95.08591	24.3
97.02884	7.1
97.06514	11.3
97.10145	17.2
99.04465	1.6
99.08066	1.8
105.07011	12.1
107.04930	5.0
107.08580	30.0
109.06470	3.7
109.10139	48.1
111.04394	1.9
111.08083	7.1
115.03913	1.4
117.07005	10.8
117.98113	1.1
119.08569	11.4
121.06480	4.2
121.10128	12.0
123.08047	2.6
123.11670	5.1
125.09612	13.5
129.05479	6.8
129.06979	2.6
131.08531	8.8
133.10101	12.8
134.48552	1.4
135.08060	2.9
135.11676	10.6
137.09599	3.6
139.11157	1.2
143.10652	2.4
145.10117	4.1
147.08255	1.2
147.11633	4.5
149.09613	2.1
149.13223	12.8
151.11174	2.0
153.12671	3.5
155.10651	1.9
159.11682	8.5
163.11201	8.8
165.12689	2.1
173.09552	2.0
173.11716	16.8
177.12685	3.6
181.12210	3.0
185.11667	1.9
191.10649	2.6
193.12224	4.0
195.13766	20.1
199.13237	9.4
209.11707	5.9
213.14795	2.4
227.12785	8.4
229.14308	42.4
239.16449	2.2
257.13721	4.7
267.15872	6.8
269.17444	69.0
283.15247	4.4
301.16425	12.9
309.48846	1.3
393.26181	3.0
394.82355	1.2
411.27313	5.8
423.27356	36.5
459.27209	1.9
477.28387	2.0
495.29501	58.7
496.29977	2.1
513.30518	19.8
564.03772	1.2
639.89832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
55.05505	9.2
57.03419	6.9
60.08147	5.4
61.02882	2.8
64.29068	2.2
65.76352	2.1
67.05496	23.8
69.07059	6.5
71.04981	2.9
71.54067	3.4
78.29460	2.5
79.05482	22.5
81.03406	28.8
81.07040	23.0
83.04967	10.3
83.08610	11.1
85.02441	3.2
85.02872	14.6
85.06560	2.8
86.09692	25.0
91.05466	31.9
93.07034	18.8
95.04958	14.0
95.08606	9.7
97.02946	3.0
97.06558	2.9
97.10125	2.7
98.98406	2.7
105.06993	17.7
107.04925	4.1
107.08571	7.3
107.63709	2.0
109.06525	4.4
109.10144	5.4
111.08058	6.3
113.05956	3.2
117.06996	4.0
119.08587	17.4
121.10117	14.8
123.11674	2.2
124.99983	17.4
125.09619	2.4
127.03823	2.4
129.06955	11.8
131.08549	22.1
133.06448	3.3
133.10063	16.3
137.05910	2.6
142.07796	3.3
145.06471	2.2
145.10104	2.9
147.08015	3.0
147.11649	17.9
149.09583	13.6
157.10109	17.8
165.12770	3.4
171.77219	2.3
172.54518	2.3
175.11179	18.1
184.07310	100.0
184.08980	5.1
193.12198	31.0
204.25017	2.4
206.28130	2.5
211.13231	28.4
216.95259	2.3
267.15887	51.5
285.16907	38.1
349.21271	3.6
367.22525	3.3
382.98892	3.5
385.23996	3.4
431.27719	4.6
441.26099	5.8
459.27292	41.7
477.28491	47.1
495.29590	21.7
642.33447	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	692.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26170	0.7
53.03934	3.2
55.01867	3.7
55.05257	1.4
55.05504	17.9
57.03431	11.0
57.07064	2.6
57.51671	0.7
58.37664	0.8
58.92003	0.6
58.96514	0.9
59.04990	2.2
61.02923	5.0
65.03937	2.7
67.05497	79.6
67.35977	0.7
68.05817	0.9
69.03416	2.7
69.07062	15.3
71.01363	1.0
71.04987	19.5
73.02908	3.0
73.06577	0.7
79.05485	32.6
79.70776	0.7
81.03416	4.9
81.07047	100.0
82.07380	1.1
83.04965	7.6
83.08604	16.7
85.02901	6.8
85.06525	8.7
87.04464	1.7
91.03951	1.9
91.05472	26.1
92.05846	0.8
93.07032	43.1
94.07351	1.5
95.04966	5.0
95.08598	16.9
97.02876	2.6
97.06526	10.0
97.10160	5.2
98.20713	1.8
99.04472	0.9
99.08113	2.0
103.03983	1.0
105.07021	11.1
107.04916	1.4
107.08582	30.1
109.06506	1.9
109.10147	18.0
111.04383	0.9
111.08077	6.3
113.05994	0.8
113.09681	0.9
117.06998	8.0
119.08566	4.2
121.06495	1.4
121.10127	14.2
123.08081	1.1
123.11698	10.8
125.09606	5.5
125.10423	0.8
127.03894	1.2
129.05534	1.7
129.07011	1.1
131.08553	6.3
131.43640	0.7
132.08890	0.9
133.10120	18.3
133.11072	1.3
135.08058	1.6
135.11681	7.8
139.11183	2.1
143.10684	0.8
145.05014	0.8
145.10173	1.2
145.66165	0.8
147.11717	2.4
149.13240	22.0
151.11171	5.5
155.10638	1.4
157.93419	0.7
159.11661	10.1
163.11249	2.0
163.86113	0.6
165.12804	0.8
167.14197	0.8
169.12231	0.8
171.11665	0.9
173.11732	3.8
175.11087	0.9
177.12744	6.2
180.66635	0.7
183.13847	1.5
187.13327	2.6
193.12395	0.8
195.13770	10.7
199.13264	0.9
209.11784	1.1
213.14915	2.4
225.14885	1.7
227.12804	1.5
229.14339	12.4
239.16171	0.9
257.17511	1.7
267.15906	1.8
269.17453	33.6
270.17911	1.6
283.15494	0.9
301.16507	4.9
301.20151	9.4
342.42712	0.7
391.28491	0.9
411.27454	1.0
423.27423	8.6
424.27744	1.3
436.20844	0.9
437.28964	43.9
438.29193	1.9
451.30502	8.7
463.30502	94.2
464.30942	5.3
495.33655	32.9
496.33749	1.6
513.30688	2.5
697.64221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01859	3.1
55.05505	20.9
57.03430	10.3
57.07067	2.2
59.04982	1.0
61.02922	6.7
63.19105	0.7
65.03937	2.0
65.74626	0.7
67.05499	84.4
68.05820	2.0
69.03427	3.0
69.07063	13.4
69.88351	3.0
69.88783	1.5
71.04987	20.6
71.08613	1.0
71.53731	0.8
73.02906	2.6
79.05484	32.7
80.05820	0.7
81.03416	6.8
81.07048	100.0
82.07381	1.7
82.36839	0.6
83.04977	6.6
83.08607	17.2
85.02896	10.7
85.06538	8.1
87.04462	3.0
89.03431	0.9
91.03962	1.9
91.05471	29.9
93.07032	40.1
94.07403	0.9
94.59439	0.7
95.04964	6.2
95.08592	19.8
95.09159	1.5
97.02876	2.8
97.06516	9.3
97.10155	6.9
99.04458	1.0
99.08082	2.2
105.04547	0.8
105.07030	11.8
107.04958	1.5
107.08578	27.4
107.09290	1.5
109.06503	3.2
109.10140	24.2
111.08061	5.6
111.11803	0.8
113.09625	0.7
117.07018	8.4
119.08543	4.1
120.28374	0.9
121.06479	1.9
121.10138	9.5
123.08048	1.7
123.11695	13.6
125.09610	5.0
127.03923	1.0
129.05504	1.6
129.07031	1.1
131.08572	8.3
133.10114	20.6
135.08034	1.6
135.11674	9.4
137.09586	1.5
143.10727	1.7
145.05067	1.0
145.10123	1.5
147.11708	1.2
149.09674	1.4
149.13237	16.6
151.11151	5.9
153.12709	0.7
155.10686	0.9
159.11676	10.1
163.11191	2.1
165.12811	1.1
173.11737	5.9
177.12692	4.3
183.13841	2.1
187.13303	2.3
193.12296	0.9
195.13763	13.1
199.13235	1.5
209.11748	1.7
213.14804	1.8
225.14925	1.7
227.12724	1.8
229.14334	21.0
239.16472	1.6
257.17496	1.1
267.15936	2.5
269.17447	42.4
270.17853	1.7
283.15421	1.4
301.16464	5.8
301.20120	14.4
301.23108	1.3
375.19574	0.8
393.26221	1.1
399.49725	0.9
411.27499	2.3
419.27951	1.6
423.27414	14.2
424.27664	0.9
437.28949	51.6
438.29214	2.8
451.30536	6.4
463.30563	19.8
464.30457	1.4
495.33478	67.2
496.33563	3.5
513.30554	5.6
595.96704	0.9
607.33704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22054	1.3
55.05506	7.4
57.03417	2.1
65.03931	12.3
67.05183	1.4
67.05502	17.0
69.03422	11.1
70.15741	2.1
70.16138	4.2
83.04975	65.4
84.05289	1.5
85.02904	21.6
87.00786	1.6
91.05482	6.9
93.03397	36.1
95.04964	8.7
99.00819	7.4
107.04940	4.6
111.04429	100.0
115.03904	4.0
117.01874	2.1
117.03361	3.2
119.04924	15.8
121.02859	16.5
129.05469	53.6
135.04387	5.7
138.25658	1.4
139.03889	73.5
144.08147	1.5
145.02805	3.3
147.04396	49.8
157.04951	66.5
163.03891	30.6
163.50954	1.3
164.04269	2.0
165.06929	2.9
175.06015	52.7
179.08498	2.0
183.08089	2.3
207.08078	11.3
211.07529	3.1
229.08556	6.2
235.07544	13.6
253.08568	7.9
263.06979	28.8
264.07428	2.6
267.06506	3.0
273.06030	20.9
281.08069	24.0
291.06528	8.5
309.07559	24.6
327.08453	5.0
440.29932	1.8
447.11133	11.7
449.11798	1.8
483.12741	12.2
501.14423	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	693.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84641	1.0
54.76075	1.0
55.01861	2.3
55.05503	5.2
65.03930	11.6
67.05500	19.3
68.99774	2.5
69.03113	1.2
69.03424	11.3
69.15302	1.0
71.01374	1.1
71.11997	2.2
71.12340	1.2
83.04974	65.0
85.02895	23.6
87.04462	1.7
91.05463	5.0
93.03396	42.6
94.03754	1.6
95.04957	8.4
99.00797	7.1
99.85824	1.2
107.04941	9.4
111.04432	100.0
115.03909	3.6
117.01840	4.8
119.04922	8.4
121.02859	19.5
123.04424	1.8
129.05469	50.9
130.05768	1.4
135.04410	6.5
139.03882	73.8
144.08086	2.3
145.02789	2.1
146.45309	1.3
147.04399	26.0
147.06442	1.2
157.04945	66.7
158.05312	1.3
163.03882	15.8
165.06982	2.1
175.06012	58.0
177.05434	1.3
183.08022	2.6
189.06949	1.8
203.03433	2.4
207.08022	8.3
211.07486	2.7
217.06543	1.5
229.08585	4.5
235.07532	18.3
239.07072	1.5
253.08522	7.9
263.07016	30.4
264.07605	1.4
267.06552	2.1
273.06006	20.0
277.25647	1.1
281.08057	30.6
282.08313	1.3
291.06512	8.7
309.07568	24.3
325.24908	1.1
327.08582	5.6
335.84171	1.2
379.50665	1.1
447.11224	10.1
483.12766	16.1
484.13055	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	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15317	0.8
53.03926	1.9
55.05498	8.7
57.03420	3.0
57.07059	2.3
59.60050	0.8
61.02920	22.5
65.03924	1.6
67.05497	44.8
69.03404	2.0
69.07059	8.3
70.58202	2.9
71.04976	1.2
73.02913	8.5
74.11742	0.9
75.04456	1.1
79.05481	28.1
81.03392	1.2
81.07048	52.4
82.07365	1.1
83.04977	1.4
83.08601	4.2
85.02415	1.4
85.02895	21.0
85.06512	2.1
91.03947	21.3
91.05462	14.4
93.07036	39.3
95.04944	1.6
95.08597	38.4
97.02883	13.7
97.06505	1.6
97.10141	2.5
99.04447	1.4
99.08080	2.1
102.74556	0.9
103.47758	0.9
105.04497	0.9
105.07014	12.2
107.08585	25.5
109.06509	1.2
109.10141	25.3
111.08076	1.2
113.09637	1.1
115.03899	1.0
117.06995	6.9
119.08571	12.1
121.10124	27.3
123.08044	2.0
123.11694	14.3
125.09588	1.4
127.03904	9.1
131.08557	13.8
133.10107	11.3
135.11694	20.7
137.09579	2.0
137.13217	5.6
139.11153	2.2
145.04945	13.9
145.10110	10.5
147.11679	9.2
149.13246	17.5
151.11131	2.6
151.14851	2.3
159.11684	11.7
161.13225	10.6
163.06000	20.1
163.14813	13.6
165.12749	2.8
173.13235	12.3
175.14807	2.9
177.16287	4.4
179.14246	3.5
187.14815	7.8
191.14293	1.9
193.15906	0.9
201.16283	3.9
203.17778	1.2
205.15825	1.7
215.18001	1.4
219.17422	1.9
233.22507	2.2
243.21071	35.2
244.21454	1.3
261.22113	100.0
262.22488	4.9
263.23740	2.5
279.23175	2.3
326.08228	1.2
335.25821	14.6
336.26181	1.2
353.26825	49.3
354.27072	4.2
392.72028	1.0
427.09769	1.0
521.10559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13493	1.1
53.03935	3.4
55.01862	1.5
55.05501	9.8
57.03172	1.4
57.03434	16.0
60.08160	1.8
61.02908	1.2
62.68211	0.9
65.03922	1.5
67.05157	1.8
67.05498	32.5
69.03420	1.9
69.07056	7.5
69.83492	5.8
71.01340	2.2
71.04975	5.3
79.05032	1.9
79.05484	26.6
81.03410	50.3
81.07054	17.4
82.03753	0.9
83.04974	8.3
83.08608	11.4
84.73763	0.9
85.02887	2.4
85.06530	2.3
86.09696	8.4
91.05473	21.1
93.07037	32.7
95.04958	16.3
95.08582	4.8
97.02863	1.4
97.06532	9.4
97.10167	6.9
99.08080	1.6
104.10762	1.1
105.04460	1.1
105.07011	8.9
107.04954	4.0
107.08584	23.7
109.06509	3.3
109.10150	3.9
111.04420	2.2
111.08072	6.3
117.06991	4.4
119.08575	9.3
121.06454	1.9
121.10127	6.7
123.08054	1.3
124.86175	1.0
124.99990	4.8
125.09599	1.2
129.07008	5.8
131.08536	4.9
133.06444	2.4
133.10092	5.1
135.08011	1.3
135.11679	35.0
136.11902	1.3
137.09584	2.0
145.10095	7.2
147.08017	2.0
147.11668	4.1
149.09583	2.4
153.12730	2.1
156.42598	1.0
157.10130	8.0
159.11783	1.1
163.11191	5.2
165.12695	1.9
172.32397	1.0
175.11150	5.4
181.12224	5.8
184.07310	23.3
184.09891	1.1
185.07758	1.3
193.12250	15.0
211.13326	2.1
247.70422	1.1
249.14766	1.8
255.15895	75.0
256.16275	1.1
264.77521	1.0
267.15887	43.2
269.17429	2.4
285.17029	1.3
355.22726	1.2
403.24600	3.3
421.25763	7.2
447.27386	100.0
448.27588	3.2
465.28333	4.4
479.29984	5.1
497.31030	2.0
555.29102	1.2
644.35675	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	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01854	1.4
55.05505	10.3
57.03432	9.0
57.07064	1.6
59.04984	2.0
60.08157	5.5
61.02918	3.4
65.03938	2.4
66.66146	0.9
67.05495	68.2
67.62193	0.8
69.03416	3.6
69.07061	8.4
70.47316	2.0
70.47707	1.5
71.04980	22.7
71.07372	2.2
77.82300	0.9
79.05479	25.6
79.24596	0.9
81.03407	41.4
81.07043	35.1
83.04975	10.9
83.08606	17.3
85.02889	15.4
85.06543	4.1
86.09692	30.4
91.03954	1.5
91.05467	29.8
93.06451	1.4
93.07030	25.4
95.04955	17.9
95.08595	15.0
97.02885	3.9
97.06534	7.3
97.10146	3.3
98.98454	2.5
99.08090	2.0
104.10728	2.1
105.07020	15.9
107.04919	5.8
107.08583	15.5
109.06515	5.9
109.10139	45.2
111.04456	2.1
111.08049	8.4
113.06013	1.6
115.05425	1.1
117.07021	3.3
119.08566	21.8
121.06496	3.4
121.10123	11.4
123.08072	2.5
123.11672	2.7
124.99980	20.2
125.09599	2.1
129.06979	7.4
131.08571	9.2
133.06488	2.4
133.10114	12.2
135.08061	2.2
135.11679	14.2
137.09589	10.0
142.07759	2.0
143.60646	1.0
145.10075	6.2
147.08043	1.7
147.11659	12.9
149.09595	5.0
149.13214	4.4
151.11183	1.1
155.10664	2.0
157.10100	13.7
159.11708	2.4
163.11156	3.4
165.12743	3.6
169.12140	1.2
173.11725	5.7
175.11183	11.0
177.12805	1.6
181.12234	3.1
184.07315	100.0
185.07578	1.1
187.13269	1.8
189.11189	0.9
193.12216	25.0
195.13806	2.2
198.68224	1.0
211.13261	28.6
211.15211	1.9
229.14349	2.5
243.16005	2.1
244.51257	1.0
255.15929	11.4
267.15900	28.8
269.17410	11.5
285.16904	17.8
287.15363	1.6
287.18466	14.0
329.21387	1.0
355.22318	1.1
369.24152	1.5
403.24637	1.3
421.25803	22.5
435.26938	1.2
439.26862	53.4
440.26984	2.0
445.34897	1.0
447.27371	27.1
448.28076	1.3
453.28345	6.3
461.28934	26.4
465.28415	36.3
466.28815	1.2
479.29987	10.5
497.31091	29.5
498.31265	1.1
644.35645	9.5
694.17963	2.0
695.31390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
53.57838	1.1
55.05504	12.8
57.03427	5.5
57.07071	3.3
61.02919	26.7
65.03933	1.8
66.58282	1.0
67.05498	67.3
69.03421	4.3
69.07063	12.3
70.71756	3.5
71.04977	3.3
73.02905	9.4
75.54881	1.0
79.05481	33.8
80.05847	1.4
81.03392	1.9
81.07048	75.2
82.07388	1.9
83.04967	2.1
83.08606	9.0
85.02898	27.6
85.03414	1.3
85.06532	2.7
91.03943	22.6
91.05464	18.5
93.07032	47.2
95.04948	2.5
95.08598	62.1
95.20151	1.3
96.08926	1.9
97.02883	11.7
97.06503	2.9
97.10159	4.2
99.04452	1.7
99.08079	2.1
105.07023	13.1
107.08580	33.6
109.06464	1.4
109.10143	30.5
111.08051	2.1
113.09602	1.4
115.03996	1.5
117.07005	6.4
119.08578	14.7
121.10130	31.8
123.08077	2.0
123.11696	16.0
127.03886	8.5
129.06973	1.3
131.08539	17.0
133.10129	15.6
135.11678	28.3
137.09604	2.5
137.13237	7.5
139.11195	2.9
145.04936	11.9
145.10120	14.5
147.11681	11.7
149.13248	21.5
151.11115	2.2
151.14835	3.5
153.12711	1.7
159.11708	12.7
161.13222	10.7
163.06006	18.2
163.11198	1.7
163.14810	16.6
165.12807	2.3
173.13239	14.7
175.14774	2.9
177.12733	2.9
177.16359	6.6
179.14252	2.6
187.14783	8.1
191.14203	1.6
201.16409	3.4
205.15851	2.1
215.18011	1.5
219.17381	2.2
233.22643	4.9
243.21062	37.0
244.21291	1.8
261.22116	100.0
262.22455	4.2
263.23819	2.2
279.23187	4.7
301.36887	1.2
335.25790	32.6
336.26001	2.3
353.26819	51.7
354.27066	2.8
497.30884	5.0
532.43280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01866	2.2
55.03570	1.5
55.05299	1.2
55.05510	12.8
57.03427	17.4
61.02903	2.6
65.03920	2.6
66.67157	1.3
67.05497	40.5
69.03423	4.3
69.07063	11.5
71.01339	2.9
71.04970	5.6
71.59460	1.4
79.05051	2.1
79.05486	32.1
81.03410	62.5
81.07048	35.8
83.04972	12.6
83.08611	16.2
85.02873	7.7
85.06536	4.0
86.09684	1.9
91.00131	1.4
91.05470	30.4
93.07039	38.9
95.04955	21.8
95.08595	11.2
97.02864	2.5
97.06524	10.2
97.10172	7.3
99.08084	2.2
105.07008	15.1
107.04922	5.4
107.08582	27.2
108.08930	1.5
109.06487	4.5
109.10149	13.8
111.04415	1.8
111.08055	8.5
114.08044	1.5
115.05389	2.1
117.07017	4.5
119.08572	13.7
121.06432	2.5
121.10136	11.7
123.08061	1.9
123.11694	2.2
125.09586	2.3
129.06987	6.9
131.08563	8.0
133.06477	2.7
133.10118	10.8
135.08018	2.0
135.11674	30.7
137.09595	3.9
142.07793	2.0
145.10115	7.1
147.08011	1.8
147.11655	7.8
149.09575	5.0
149.13232	3.9
153.12703	1.4
157.10107	10.3
158.72980	1.3
159.11661	2.3
163.11154	6.0
165.12714	4.0
174.29778	1.3
175.11136	7.0
176.11496	1.6
181.12238	7.1
184.07298	7.4
193.12215	17.2
211.13254	9.1
229.32283	2.0
249.14923	2.3
255.15874	48.7
256.16342	1.6
267.15884	46.2
269.17398	10.8
285.10077	1.6
285.16885	6.5
287.18423	2.7
341.86832	1.4
417.63318	1.5
421.25916	9.3
439.26816	4.4
447.27377	100.0
448.27579	4.9
453.28625	1.9
461.28989	7.2
465.28397	7.9
479.29953	23.5
489.28387	2.6
497.30792	6.0
623.34320	1.7
694.32672	4.3
695.31360	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	697.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51522	0.2
53.03933	0.4
54.31613	0.3
55.05492	0.7
56.60471	0.2
57.03428	1.5
61.02918	3.5
62.34048	0.3
62.47212	0.3
67.05495	2.0
69.03414	2.0
69.07050	0.6
69.26897	0.6
69.27301	2.7
71.01325	0.4
71.04991	0.7
71.42131	0.2
73.02908	2.7
79.05489	2.0
81.03413	4.0
81.07045	2.4
83.04976	1.2
83.08609	1.2
83.56268	0.2
85.02897	5.1
87.04433	0.4
91.03950	2.4
91.05473	2.8
92.28455	0.2
92.38807	0.3
93.07017	1.7
95.04951	2.2
95.08616	0.9
97.02879	3.0
97.06510	0.4
99.04456	0.6
101.02341	1.2
105.07021	2.3
107.04942	0.7
107.08636	0.6
109.02868	0.8
109.06474	0.3
109.10156	0.3
111.04459	0.3
111.08076	0.8
119.08574	2.1
121.10134	0.9
123.08089	0.5
123.63252	0.3
127.03902	1.2
129.06982	0.6
131.08540	1.2
133.10118	1.5
145.10115	0.3
147.11664	1.4
149.09634	0.8
157.10158	1.2
165.12755	0.3
175.11246	1.0
184.07358	0.7
185.04237	0.3
193.12206	2.0
211.13306	1.1
213.63246	0.3
243.08372	1.4
251.12601	1.5
269.12396	0.8
271.08301	0.3
285.10159	0.5
285.16992	0.6
289.09488	0.7
307.15237	0.4
469.20401	12.1
470.21210	0.4
482.28485	0.4
645.42651	0.3
697.33923	100.0
698.34290	4.9
724.01837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	3.2
57.28246	1.6
57.99064	1.4
61.02916	5.6
67.05496	11.5
69.03412	5.6
71.56255	1.5
71.56798	3.0
73.02895	5.3
79.05497	2.2
79.28769	1.6
81.07041	6.2
85.02883	8.0
91.03937	4.8
91.05485	1.8
93.07039	6.4
95.04930	1.8
95.08616	2.2
97.02867	5.2
97.21774	1.5
101.53647	1.5
105.06995	2.3
107.08549	3.2
109.02877	2.0
109.10143	10.8
112.63444	1.6
119.08572	2.5
127.03911	4.0
173.11798	3.0
181.04678	2.5
185.04216	2.9
213.21068	1.4
243.08376	3.8
255.31354	1.5
301.08899	6.1
315.10471	2.9
371.16492	4.2
373.11182	3.8
385.18124	2.2
413.17813	21.6
453.20825	6.3
466.76675	1.6
485.19885	6.7
528.81421	1.7
541.25885	3.6
567.31409	26.0
596.31543	7.2
600.31451	1.8
623.33234	2.2
625.31842	100.0
626.31531	3.0
628.30426	6.7
651.33167	6.8
697.33923	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	699.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
59.59182	0.3
67.05498	1.6
69.07099	0.4
70.82294	0.3
71.57600	0.6
79.05505	0.7
81.03408	0.4
81.07038	1.1
91.05476	0.8
93.07037	0.7
95.04961	0.4
95.08604	1.0
105.07037	1.0
107.08585	0.6
117.06999	0.3
119.08561	0.7
121.10186	0.4
129.07022	0.4
130.04459	0.4
133.10146	0.5
145.10094	0.4
185.04274	0.9
203.05182	1.7
259.07959	1.4
301.20175	1.3
347.09512	1.1
365.10458	3.3
405.79346	0.5
421.13193	0.5
537.30298	14.3
538.30652	1.0
627.32275	1.0
699.35529	100.0
700.35931	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	699.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05490	1.1
57.03429	0.9
59.04980	0.7
59.91698	0.5
61.02920	3.2
66.86158	0.4
67.05498	4.1
69.03422	1.9
69.07061	0.6
71.01328	0.6
71.04982	1.8
71.53109	0.7
73.02910	2.3
79.05474	3.6
81.03404	3.2
81.07036	2.7
83.04978	1.4
83.08628	0.4
85.02898	3.9
86.29243	0.4
91.03948	2.2
91.05449	2.6
93.07021	3.6
95.04989	1.1
95.08607	1.7
97.02878	2.7
97.06534	1.5
97.10177	0.7
99.04441	0.5
101.02389	0.8
105.07035	1.5
107.04934	0.5
107.08589	2.5
109.02839	0.7
109.06557	0.6
109.10165	0.9
119.08549	1.0
121.10160	1.6
123.86752	0.5
127.03912	0.8
131.08589	0.6
133.10118	1.5
135.11671	2.8
145.10066	0.6
147.11681	1.5
149.09656	1.4
157.10255	0.6
162.30516	0.4
163.11205	1.0
175.11153	0.8
181.12265	0.6
185.04266	0.6
193.12234	0.9
204.10121	0.5
214.54259	0.5
221.11470	0.7
243.08537	1.7
255.16060	0.7
283.15167	2.3
323.93561	0.5
339.18018	0.8
439.19403	9.4
501.22940	8.2
643.70648	0.5
699.35504	100.0
700.35681	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	701.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.4
53.03931	8.1
55.01868	19.1
55.05255	4.2
55.05503	43.6
57.03431	12.0
57.07070	5.7
65.03934	6.9
65.94897	2.3
67.05499	92.8
69.03405	6.8
69.07060	20.2
71.01335	2.3
71.04987	6.9
77.03945	3.4
79.05482	72.8
79.50150	2.1
81.03407	7.7
81.07051	82.5
83.04968	6.3
83.08606	26.2
85.02907	3.7
85.06528	5.2
91.05471	65.3
93.03396	4.6
93.07036	64.0
95.01336	15.4
95.04951	17.7
95.08595	58.3
97.02904	5.0
97.06542	6.5
97.10152	22.5
105.07021	57.6
107.04939	8.3
107.08577	38.8
109.02881	4.1
109.06512	7.5
109.10143	28.0
110.52494	2.2
111.08109	5.4
115.05459	6.6
117.07001	32.2
119.04933	2.9
119.08573	38.3
121.02855	4.3
121.06501	5.7
121.10129	22.9
123.04434	5.5
123.08057	7.7
123.11707	8.8
125.02354	5.4
125.09610	17.3
127.03904	2.7
128.06207	7.5
129.05470	3.6
129.07002	27.2
130.07703	3.2
131.04883	6.1
131.08559	42.5
133.06488	4.2
133.10123	28.8
135.04407	7.7
135.08093	9.1
135.11690	15.4
137.02348	3.0
137.05957	4.4
137.09590	3.4
139.03879	4.8
139.11272	2.5
141.01797	2.7
141.06958	15.3
142.07794	6.5
143.08557	26.3
144.09377	2.8
145.06476	13.1
145.10104	31.4
147.04417	5.8
147.08034	6.8
147.11626	16.4
149.02324	7.0
149.06010	4.2
149.09578	5.5
149.13228	4.6
151.03903	11.8
151.11147	3.0
153.07004	6.2
154.07730	4.3
155.03406	4.1
155.08524	31.1
156.09375	5.0
157.06482	6.6
157.10121	20.6
159.04427	6.8
159.08055	4.2
159.11673	22.7
161.05969	7.9
161.09601	6.8
161.13255	10.1
163.03917	9.4
163.11215	4.2
164.89400	2.3
165.01823	4.0
165.07013	5.1
166.07828	5.7
167.03439	8.2
167.08585	14.2
168.09380	5.0
169.06459	2.5
169.10100	24.6
171.08046	6.8
171.11647	20.6
173.05978	5.4
173.09589	4.7
173.13211	16.2
175.03903	11.5
175.07500	3.7
175.11124	5.4
177.01820	4.1
178.07892	2.7
179.03430	3.4
179.08565	7.6
180.09285	4.2
181.06473	3.0
181.10060	17.2
182.10941	2.9
183.08122	6.0
183.11670	21.2
185.06006	4.9
185.09589	7.8
185.13240	13.3
187.07536	3.6
187.11192	4.5
187.14751	4.7
189.05530	7.8
189.11205	8.2
189.12770	3.0
191.03424	5.4
191.08643	4.0
191.10538	2.6
193.05013	2.4
193.10130	11.0
195.08102	5.7
195.11684	21.3
197.09604	4.3
197.13254	14.5
199.03828	5.8
199.11240	3.1
199.14845	7.6
201.05437	3.9
201.09167	3.5
203.10568	3.8
205.04965	4.8
205.10236	4.1
207.11752	7.5
209.09650	2.5
209.13263	12.4
211.07559	3.6
211.11232	7.7
211.14870	8.1
213.05519	3.9
213.09140	5.5
213.12878	4.7
215.03413	2.6
215.10658	4.8
217.10210	3.1
219.09995	3.6
219.11823	4.8
221.09744	3.5
221.13275	7.6
223.11221	4.1
223.14851	7.8
225.09081	4.7
225.12827	4.0
225.16399	2.9
227.10759	3.0
227.12845	6.7
231.10144	4.1
233.13293	4.9
235.11194	3.7
235.14943	4.2
237.09184	3.8
237.16354	5.3
239.14485	2.6
241.08707	4.1
241.12350	3.2
241.15865	2.8
243.10184	5.5
243.21138	4.8
245.11526	3.0
245.13710	2.5
247.09480	3.5
249.16467	5.6
251.17804	2.8
257.11707	2.8
259.20587	7.1
261.22192	6.4
267.10147	5.5
269.11786	2.8
271.09586	3.5
273.11438	2.6
275.12921	3.5
283.20651	3.4
285.11258	5.8
285.22159	7.8
287.12976	4.6
287.19888	3.3
289.10638	3.9
289.21924	2.8
293.19058	2.5
301.21585	2.9
303.12387	8.5
304.78836	2.4
305.14075	2.4
313.10712	4.0
314.11356	2.5
319.11740	3.6
321.13434	12.5
321.22113	2.9
331.11716	6.7
333.13370	3.0
333.24591	4.2
335.25882	11.8
349.12698	17.3
351.14172	5.8
361.21390	3.1
363.25586	3.9
367.14084	2.7
375.14200	3.1
375.23151	3.8
393.24493	3.2
403.23047	3.7
415.30203	6.0
421.23550	4.3
423.16626	8.2
425.17938	3.1
433.31293	11.5
439.24585	4.2
451.32086	4.0
497.25394	2.4
498.37357	3.1
507.34686	6.4
525.35797	25.1
526.36523	22.3
527.31097	4.0
545.32843	6.6
555.30707	6.4
560.37170	3.7
563.33734	4.7
565.35468	3.8
572.24939	3.0
573.32068	7.8
581.34625	4.2
591.32990	11.7
594.52325	3.1
609.34338	15.5
627.35754	4.4
634.83661	2.5
635.35480	3.7
637.37488	3.0
647.35614	5.7
655.38019	5.2
665.37042	15.8
673.39539	2.9
683.37842	53.1
684.38440	4.4
701.38904	100.0
702.39178	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	701.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03932	7.6
55.01868	15.4
55.05502	44.3
57.03418	10.1
57.07070	4.9
65.03937	6.3
66.49925	2.5
67.05151	4.5
67.05499	81.3
69.03406	6.4
69.07060	22.3
69.07407	3.7
77.03887	2.5
79.05480	60.0
80.43275	2.8
81.03407	10.5
81.07047	84.6
83.04977	7.1
83.08607	17.9
85.02882	3.6
85.06535	4.5
91.05469	60.1
93.03407	3.7
93.07034	61.8
95.01322	15.4
95.04971	17.1
95.08595	46.1
97.02869	5.0
97.06539	4.8
97.10149	23.9
100.58103	2.4
103.05486	5.8
105.03380	2.8
105.07021	53.6
107.04945	11.0
107.08586	36.7
109.02882	4.3
109.06523	7.9
109.10153	25.8
111.04401	3.7
111.08034	4.5
115.05461	7.9
117.07001	30.6
119.04886	4.0
119.08567	38.7
121.02851	3.0
121.06483	6.5
121.10133	21.9
121.12041	2.3
123.04430	5.2
123.08060	5.7
123.11663	6.0
125.02325	3.9
125.08848	2.7
125.09595	13.1
127.03913	3.6
128.06227	6.8
129.06990	21.6
131.04915	3.0
131.08549	38.1
131.09471	2.9
133.02773	3.1
133.06497	6.9
133.10094	25.0
135.04399	7.2
135.08057	9.5
135.11699	12.8
137.02292	3.7
137.05934	5.7
137.09654	2.5
139.03934	4.7
141.06955	16.1
142.07773	6.9
143.08543	24.8
145.06456	9.0
145.10095	30.6
147.04393	8.0
147.08081	4.6
147.11696	15.6
149.02338	3.8
149.05945	4.4
149.09622	3.3
149.13272	5.4
151.03909	8.2
153.07016	4.2
153.09113	5.4
154.07768	5.0
155.03423	3.7
155.08536	25.6
157.06503	3.9
157.10117	22.0
159.04535	2.7
159.08112	7.2
159.11681	21.0
161.06006	5.8
161.09601	5.0
161.13245	10.2
163.03911	10.3
163.11220	4.6
165.01819	5.1
165.06989	5.2
166.07790	4.1
167.03447	8.4
167.08554	14.1
169.05040	4.1
169.06422	3.1
169.10101	26.9
171.08054	7.0
171.11716	16.5
173.05988	4.3
173.09602	6.2
173.13199	13.5
175.03920	7.3
175.11089	3.0
175.14767	4.1
177.05424	5.7
178.07773	3.8
179.03380	4.8
179.08572	7.6
181.06508	2.9
181.10072	17.4
182.10931	3.2
183.08073	5.8
183.11684	21.3
185.06024	3.8
185.09557	7.1
185.13255	12.7
187.04019	2.7
187.07579	3.4
187.11182	4.8
187.14877	4.8
189.05467	4.2
189.11246	8.7
191.03413	3.4
193.10094	8.5
194.98257	2.7
195.08060	4.2
195.11705	14.3
197.06033	3.4
197.09610	9.5
197.13234	13.1
199.03882	4.1
199.07486	4.2
199.11186	6.0
199.14822	5.4
201.05440	3.1
201.09134	3.3
205.05045	6.4
205.10168	4.8
207.08061	4.0
207.11685	6.2
209.09605	3.5
209.13251	9.9
211.07613	3.1
211.11166	5.9
211.14816	5.7
213.09067	6.4
215.10649	3.2
219.10022	3.4
221.04370	4.3
221.09656	4.9
221.13313	8.8
223.11197	3.5
223.14897	6.6
225.09106	6.1
225.12572	3.2
225.16460	5.2
227.10811	3.4
227.12828	7.3
229.12410	3.4
233.13364	3.9
235.14838	2.9
237.09061	3.8
239.05415	2.9
239.10626	5.5
239.17966	3.0
241.12239	3.8
241.19606	2.8
243.10181	3.5
251.17809	2.9
253.12355	2.9
255.10156	3.6
259.20627	6.0
261.22195	3.6
262.09967	2.5
267.10031	3.2
271.09726	4.4
283.20740	3.7
285.11218	8.7
285.22147	6.6
287.12796	4.8
289.10876	5.4
303.12305	12.2
303.23450	4.6
313.10809	5.0
321.13272	13.9
321.21927	3.5
326.79333	2.9
331.11792	5.2
333.24344	6.3
335.26083	5.6
349.12793	11.2
351.14569	3.3
363.25333	6.7
375.23022	2.8
393.24057	3.4
415.29993	5.3
421.23746	3.3
423.16522	7.0
427.28967	3.9
433.31039	7.6
439.24902	3.1
487.23935	3.2
507.34659	6.2
525.35828	24.7
526.36389	17.9
527.30908	2.9
537.30170	3.3
545.32117	3.2
555.30762	3.7
563.33807	4.8
565.34766	2.9
573.32050	12.4
581.34497	5.8
591.33374	13.2
609.34308	20.0
627.35504	7.8
637.37402	5.4
647.35815	5.4
655.37964	5.8
665.36469	14.0
683.37830	58.4
701.38849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	3.0
53.03948	16.1
55.01851	15.8
55.05255	4.9
55.05501	59.1
57.03428	18.6
57.07061	4.0
61.02909	13.8
65.03922	9.7
67.05495	100.0
69.03123	3.5
69.03421	36.4
69.07057	27.6
71.01314	4.6
71.04969	7.4
71.53765	3.3
71.54174	4.1
73.02895	9.3
79.05484	85.2
81.03406	66.3
81.07043	92.7
81.40154	2.8
83.04968	25.9
83.08602	30.9
84.07717	3.2
85.02892	21.6
85.06535	6.6
89.07688	2.9
91.03923	4.5
91.05470	94.1
93.06464	4.7
93.07034	81.2
94.07359	3.9
95.01305	8.1
95.04964	24.4
95.08033	5.6
95.08599	66.3
97.02872	24.2
97.06509	8.6
97.10149	17.9
99.04417	8.5
99.08085	4.4
101.02399	4.2
103.03881	3.3
103.05427	6.0
105.04556	3.2
105.07018	69.4
107.04948	17.5
107.08588	42.9
109.02843	8.2
109.03579	2.8
109.04435	3.1
109.06507	11.8
109.10157	26.8
110.75745	3.5
111.04424	6.2
111.08036	8.2
115.05444	5.3
117.06985	38.9
119.07773	5.9
119.08565	54.5
121.06449	5.7
121.10126	28.4
123.04399	5.7
123.08033	8.8
123.11702	8.7
125.09588	17.1
127.03897	15.0
128.06189	12.9
129.05466	7.6
129.06996	39.8
131.04880	4.4
131.08562	54.0
133.06480	8.5
133.10118	34.5
135.04346	4.3
135.08012	7.3
135.11691	17.7
137.05959	3.9
137.09566	9.4
141.06931	19.5
142.07767	8.4
143.08551	34.0
145.06456	8.8
145.10104	43.3
147.04448	3.9
147.08070	5.0
147.11690	29.4
149.13255	7.5
151.03856	8.9
153.06987	5.1
154.07724	5.7
155.03368	4.9
155.08530	31.4
156.09309	5.9
157.06561	4.5
157.10086	36.3
159.11661	29.7
161.09595	6.1
161.13240	14.3
163.03828	4.8
163.07553	3.2
163.11119	4.4
165.05577	3.7
165.06973	7.7
166.07735	4.6
167.08516	15.3
169.10106	33.4
171.08012	5.8
171.11659	31.9
173.04445	20.7
173.09564	4.3
173.13240	18.8
175.03932	5.4
175.11128	5.4
175.14789	4.2
177.12726	4.4
179.08496	10.8
180.09312	4.7
181.10092	21.4
183.08105	4.2
183.11667	31.7
184.07320	5.4
184.12532	4.2
185.09608	6.5
185.13196	16.4
187.11101	4.0
187.14758	4.1
189.05380	5.9
189.11189	4.8
189.12692	3.9
193.10098	10.4
195.11624	19.8
197.09648	5.1
197.13214	22.6
199.05840	4.8
199.11215	7.6
199.14809	7.0
201.12762	5.6
205.10120	7.1
207.11722	7.3
207.13649	4.5
209.09421	4.2
209.13298	17.8
211.11154	4.8
211.14799	13.2
213.16309	4.8
215.14314	4.9
217.12244	3.1
219.11792	3.9
221.13158	7.8
223.11298	3.4
223.14807	11.8
225.16397	6.0
227.12669	3.6
231.09975	3.7
233.13237	7.2
235.14798	8.5
237.12799	4.1
241.19376	4.6
249.16394	3.2
251.17937	3.6
253.19438	3.9
257.18951	3.7
259.20584	7.3
261.22266	4.3
271.20508	4.6
279.15994	3.9
281.17560	11.2
281.22321	3.7
287.19907	3.6
303.12180	6.2
309.22122	5.1
321.13501	5.8
321.22067	6.6
323.23532	3.7
333.24121	9.8
349.21536	4.4
359.25150	3.4
415.29730	3.8
417.30508	3.9
433.30936	5.8
447.32431	15.1
465.33459	10.5
521.36176	7.4
525.35419	14.0
526.36823	7.7
527.36987	4.4
528.37427	4.9
529.38885	3.9
539.29340	4.6
539.37207	75.9
540.37213	3.5
557.38409	6.6
563.36981	3.6
581.38544	3.5
591.33160	7.1
609.34674	7.3
647.38727	6.8
665.37878	7.4
683.38391	31.6
684.38306	3.6
701.40759	87.4
702.40234	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	702.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
65.03934	0.4
69.03409	1.4
69.51814	1.9
79.05469	0.6
81.03393	0.7
81.07047	0.4
85.02896	5.9
91.03951	0.4
91.05465	6.4
94.04164	0.5
95.04961	2.2
97.02869	1.4
103.05434	1.1
105.07052	0.8
105.89337	0.3
107.04926	1.6
109.02836	0.5
109.06477	1.1
111.04469	0.4
113.46068	0.4
115.05478	0.6
119.04941	5.2
121.06480	1.8
122.03598	1.3
123.04482	0.4
123.08045	0.5
127.03887	1.4
128.06180	0.6
129.06981	3.5
131.04913	2.3
131.08559	0.6
133.06442	1.0
135.08006	1.7
136.05186	0.9
137.05959	30.4
143.04927	0.4
145.04936	1.3
145.06450	0.8
147.04440	0.5
147.08012	0.6
149.04861	0.2
149.05966	6.4
151.03899	1.2
151.07520	44.7
152.06212	0.5
152.07741	0.5
157.06473	4.8
159.08069	0.4
161.05957	5.3
161.09598	1.1
163.03891	0.9
163.07516	12.2
165.06979	1.3
165.09048	1.9
166.07710	0.5
167.07169	0.5
167.08557	3.4
174.06775	2.3
175.07495	2.7
177.06902	0.6
177.09084	5.7
178.07726	0.8
179.08418	0.4
181.06468	0.5
182.07303	0.4
183.92912	0.3
184.53386	0.4
187.07561	0.7
189.07367	0.7
189.09084	14.7
190.09413	0.4
193.06461	1.8
193.08582	0.4
193.10088	2.3
194.07144	0.5
195.08044	8.0
195.09970	0.6
196.08775	0.7
197.05948	0.5
197.09642	0.5
203.08513	0.9
207.08191	0.8
207.10139	2.5
209.09616	1.3
210.06737	1.3
211.07559	1.0
212.08330	1.4
213.09026	0.5
219.10033	0.8
221.05998	3.2
221.09593	3.4
221.11650	0.7
222.06612	0.6
223.07498	3.8
224.08252	1.3
225.05418	0.7
225.09030	3.5
227.10631	13.4
234.06842	0.4
235.07489	0.6
237.09079	1.0
238.06192	0.8
239.06990	0.6
239.10764	0.8
240.07698	0.9
241.12224	0.7
249.09070	3.1
250.09886	0.4
251.10779	0.4
252.07777	0.7
253.08578	6.1
253.12216	7.4
254.09204	0.5
255.10114	13.8
256.10742	0.5
259.13260	0.5
263.10745	0.5
265.08542	0.4
267.10120	2.1
269.08008	1.2
269.11667	0.9
270.08777	0.9
272.10364	1.7
277.08621	0.3
281.11636	2.8
284.10492	0.7
285.11191	8.8
287.12747	22.7
288.13120	0.4
293.11597	0.5
297.11288	1.0
298.11887	0.8
299.12732	1.5
301.14273	0.8
311.12732	1.3
313.14297	18.6
314.14581	0.4
331.15353	100.0
332.15695	1.9
343.15302	3.1
343.83200	0.4
408.16644	0.4
640.05261	0.3
665.51025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26236	0.3
54.63966	0.3
55.05487	1.3
57.07067	6.8
57.64017	0.3
58.06591	1.9
65.03934	3.8
67.05481	1.0
68.04992	0.6
69.03400	0.9
69.07042	0.8
69.36990	3.7
70.06586	19.7
71.08617	3.6
72.08144	0.9
79.05457	0.7
80.24948	0.4
81.07061	0.6
81.28954	0.3
84.08118	1.1
85.10160	1.0
86.09669	1.3
88.07619	18.9
91.05461	1.0
93.07018	0.4
95.04942	0.9
95.08578	0.7
102.09164	13.8
105.07003	0.6
121.02860	2.0
131.04913	0.5
132.10207	1.8
133.02814	0.5
139.03885	1.9
143.08426	0.3
146.11732	2.4
147.04393	1.0
149.02330	60.6
149.03406	4.4
150.02736	0.7
175.03928	2.0
175.05241	0.4
177.05450	1.0
182.02583	0.3
191.07083	0.3
193.04942	32.4
194.05112	0.4
200.20448	0.3
212.23712	1.0
217.03979	0.4
219.06541	1.9
225.05405	1.0
237.07555	4.3
238.17871	0.4
238.25392	0.4
250.88448	0.3
256.26321	48.0
257.26660	0.6
263.09061	0.8
269.04538	0.4
297.03983	1.3
300.28943	9.2
313.07028	1.1
341.06476	5.3
359.07574	3.6
385.09137	11.4
387.10532	0.6
403.10239	12.7
411.93826	0.4
429.11771	20.6
430.12131	0.6
467.57495	0.4
473.14404	13.2
640.34357	1.4
684.37891	1.4
702.38354	100.0
703.38708	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	702.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18201	1.1
53.03926	3.2
53.15023	1.1
55.01846	5.7
55.05502	47.2
56.05798	1.1
57.03427	12.0
57.07057	3.3
59.04989	1.1
60.08143	2.6
61.02906	3.4
65.03920	2.7
67.05495	67.5
69.03427	7.7
69.06717	1.6
69.07057	15.7
69.88548	5.5
71.00602	1.0
71.04984	2.7
71.07341	1.2
73.02908	1.4
79.05479	39.0
81.03409	21.0
81.07044	60.3
83.04979	5.5
83.08606	29.9
85.02874	3.3
85.06524	1.9
86.09682	10.2
91.05465	19.1
93.07030	32.0
95.04964	7.1
95.08593	32.7
97.02875	1.9
97.06528	2.3
97.10154	62.8
105.07034	13.3
107.04915	2.3
107.08575	31.8
109.06495	1.8
109.10143	17.3
111.08051	4.1
117.06984	5.0
119.08566	9.6
121.10122	14.2
123.08064	2.1
123.11666	6.6
124.99986	5.8
125.09611	53.8
129.06940	2.4
131.08540	8.4
133.06476	1.1
133.10115	7.8
134.27173	1.0
135.08043	5.6
135.11665	7.5
137.09529	1.3
137.13141	1.5
143.10614	4.6
145.10078	4.3
147.11665	4.9
149.13293	5.5
153.09045	4.1
157.10072	2.3
159.11707	4.8
161.13248	5.1
163.14792	3.1
171.10170	2.6
173.13220	3.8
175.11201	1.7
175.14827	2.1
184.07312	35.2
187.14708	2.0
189.11195	45.4
189.12917	2.2
193.12198	3.7
227.12750	73.0
228.13231	1.4
233.22476	1.8
236.16504	1.3
243.20984	6.2
245.13814	100.0
246.14102	2.1
261.22110	21.2
279.23184	2.4
306.27957	1.8
317.24710	3.4
335.25763	58.6
335.29880	2.8
336.25998	2.9
390.16782	1.3
431.31329	1.6
468.37607	2.2
487.34091	7.4
505.35168	36.7
506.35031	1.6
523.35992	2.8
529.38818	58.8
530.38989	4.6
561.41254	1.6
661.71387	1.2
688.83826	1.2
702.27649	2.8
702.47742	1.5
703.40894	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	702.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
53.20325	1.1
53.45475	1.2
55.01856	5.0
55.05503	48.2
57.03430	13.1
57.07072	5.6
59.04975	2.0
61.02884	1.8
65.03922	3.7
67.05497	57.1
68.05800	1.4
69.03423	7.2
69.07062	16.4
69.35651	5.9
69.36083	4.5
71.08620	3.0
73.02910	1.1
73.60082	1.2
79.05479	41.2
81.03397	4.1
81.06570	2.7
81.07044	48.7
83.04967	4.2
83.08132	2.1
83.08609	33.7
84.08933	1.5
85.02901	4.0
85.06536	1.3
85.10154	1.2
86.09699	2.2
89.06030	4.1
91.03944	1.8
91.05465	19.1
93.07034	37.7
93.49618	1.3
95.04973	3.0
95.08597	31.3
97.02897	2.9
97.06509	1.4
97.10160	63.6
99.08084	2.2
101.09682	1.5
105.07014	11.9
107.04909	1.3
107.08580	33.9
109.10140	20.6
111.08096	2.8
117.07029	6.4
119.08563	10.0
121.10133	15.6
123.08039	1.6
123.11710	5.4
124.99987	1.9
125.09614	66.6
131.08540	8.3
133.08577	3.1
133.10117	8.2
135.08054	5.8
135.11674	11.1
143.10648	3.5
145.10127	5.1
147.11668	4.2
149.13240	7.2
153.09084	3.7
159.11671	3.6
161.13217	3.3
163.14795	2.9
171.10168	2.7
173.11848	1.1
173.13235	5.2
184.07281	8.8
187.14777	1.4
189.11198	48.8
190.11603	1.5
190.89473	1.2
205.17274	1.2
227.12753	80.8
227.20039	21.0
243.21065	6.9
245.13817	96.2
261.22073	26.5
279.23328	2.9
315.17728	1.3
317.24753	4.6
335.25754	100.0
336.26093	2.5
413.30521	1.6
431.31424	1.6
468.37650	2.7
487.34531	5.8
505.35150	65.4
506.35373	1.6
523.36176	3.2
561.38220	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	703.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85131	2.0
53.03939	13.1
53.36920	2.4
55.01872	17.9
55.05507	38.6
57.03416	14.6
57.07076	2.0
57.94427	2.0
58.63274	2.0
61.02919	2.9
65.03928	7.2
67.05499	73.7
69.03422	27.1
69.07063	32.9
69.55326	2.0
70.17146	11.2
71.01368	2.4
71.04988	11.8
73.02910	3.6
79.05487	76.4
81.03412	100.0
81.07048	91.2
82.03695	2.2
83.04973	23.7
83.08614	21.5
85.02898	22.9
85.06547	4.8
91.03990	2.3
91.05470	79.1
93.07042	47.5
95.04963	40.0
95.08598	38.6
97.02883	19.8
97.06515	13.4
97.10162	13.1
99.04449	7.5
99.08088	2.2
103.05468	5.4
105.07022	69.8
107.04948	21.6
107.08585	33.7
109.02861	15.9
109.06497	13.4
109.10139	17.2
111.04437	11.2
111.08075	10.4
115.05430	6.7
117.07019	24.8
119.04878	3.9
119.08578	45.8
121.06475	10.9
121.10127	22.7
123.04403	5.0
123.08063	8.3
123.11732	6.1
125.09622	9.7
127.03899	12.9
128.06171	10.2
129.05469	3.6
129.06995	22.7
131.04962	4.4
131.08556	35.7
133.06474	8.9
133.10106	36.1
135.04379	2.5
135.08049	11.7
135.11627	10.9
137.09616	5.3
141.06953	10.1
142.07753	7.4
143.08510	16.8
145.06462	8.6
145.10115	31.7
147.08060	8.6
147.11684	25.6
149.09621	13.7
149.13211	4.3
151.11093	2.9
153.07042	3.5
154.07774	2.2
155.08577	11.1
157.06454	3.4
157.10083	19.3
159.04498	2.2
159.08018	5.9
159.11646	16.7
161.09602	4.5
161.13251	5.2
163.03845	2.5
163.11203	10.7
165.07068	2.2
165.09071	2.6
165.12712	6.9
167.08582	6.4
169.10089	10.8
171.08064	5.0
171.11583	12.1
173.04431	9.9
173.09634	7.1
173.13217	7.9
175.11194	12.6
177.12711	6.3
181.10152	2.8
181.12302	3.7
183.08064	2.3
183.11742	7.3
185.09633	4.6
185.13254	9.2
185.96063	2.3
187.11081	5.6
189.09103	2.7
189.11253	7.5
191.10712	3.8
193.12244	26.7
195.11699	5.5
195.13673	2.1
197.09592	4.0
197.13283	7.3
199.11308	3.2
199.14745	2.4
201.12704	3.1
205.12276	3.6
209.13300	4.3
211.11229	4.8
211.13213	30.5
211.15004	3.5
213.12689	2.8
215.14369	3.5
221.13374	3.3
227.12834	6.0
229.19734	2.9
239.17957	4.2
243.13591	2.4
247.20602	3.0
249.14771	3.2
257.19046	12.5
267.15851	12.0
269.17468	3.2
273.18521	5.2
275.20004	42.9
285.17041	5.7
291.19583	3.8
293.21078	3.2
299.19855	3.1
313.21567	3.9
319.15253	2.8
331.22739	6.2
337.16687	2.8
349.23874	10.6
355.22604	3.6
365.21118	3.2
383.21912	6.2
401.23029	4.6
411.20111	2.7
419.24213	3.1
449.30603	4.3
467.31311	4.5
475.26526	3.4
511.32953	2.3
523.33942	5.6
541.35242	35.7
559.35870	9.8
649.37018	4.1
667.38354	5.0
685.39587	11.1
703.29028	3.1
703.40515	61.0
704.40314	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	703.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49114	1.7
53.03944	10.7
55.01862	9.4
55.05252	2.7
55.05502	33.3
56.21909	1.6
57.03430	12.2
57.07071	2.4
61.02910	6.6
65.03936	4.4
67.05497	67.7
69.03076	1.8
69.03418	28.7
69.07065	24.5
70.60314	6.6
70.60648	1.7
71.04985	9.2
73.02888	5.6
73.74537	1.6
75.04440	1.6
79.05481	57.2
81.03408	100.0
81.07047	79.0
83.04978	21.5
83.08603	21.2
84.29623	1.8
85.02895	22.3
85.06516	4.8
90.27268	1.7
91.03909	3.1
91.05468	62.8
93.07036	44.7
94.07362	2.3
95.04350	2.5
95.04955	36.0
95.08600	37.4
97.02889	21.9
97.06506	10.5
97.10167	14.4
99.04430	5.9
99.08041	3.0
103.05431	4.3
105.07018	58.2
107.04943	15.0
107.08581	29.8
107.93224	1.6
109.02865	13.6
109.06489	13.3
109.10140	17.1
111.04466	8.8
111.08086	8.5
115.05408	6.9
117.06997	24.3
119.04910	4.4
119.07760	3.5
119.08563	41.0
121.06506	10.2
121.10134	19.5
123.04391	5.8
123.08045	8.3
123.11686	5.4
125.09615	9.6
127.03928	13.2
128.06197	6.6
129.05479	4.2
129.06981	22.1
130.07672	2.0
131.04895	4.6
131.08560	33.3
133.06479	5.3
133.10114	27.4
135.08037	9.3
135.11659	7.7
137.05957	3.2
137.09567	4.9
141.06964	8.4
142.07773	5.0
143.08539	15.6
145.04861	2.3
145.06526	8.4
145.10115	25.2
147.04314	2.1
147.08046	9.7
147.11673	25.5
149.05855	2.1
149.09592	13.0
149.13240	4.1
153.06952	2.6
153.09111	2.1
155.08565	9.8
156.09285	2.3
157.05084	2.1
157.06454	4.4
157.10112	17.7
159.08046	7.2
159.11656	13.1
161.09645	4.9
161.13225	3.7
163.11113	9.8
163.39603	2.0
165.12717	4.5
166.21948	1.7
167.08502	4.6
169.10088	9.5
170.10936	2.4
171.07997	2.3
171.11693	9.8
173.04433	13.7
173.09627	6.0
173.13235	6.6
175.11145	13.7
175.14780	2.2
177.12711	3.6
179.08504	2.6
181.10085	6.8
183.11635	8.7
185.09612	3.8
185.13193	6.2
187.11078	5.7
187.14781	2.0
189.09154	2.0
189.11156	5.2
189.12766	2.9
191.10625	2.5
193.10455	2.9
193.12202	15.6
195.08102	2.4
195.11711	4.5
197.09534	2.5
197.13226	5.9
199.07455	1.9
199.11118	4.0
199.14758	2.0
201.12680	2.0
203.14290	2.1
207.11691	3.0
209.13220	4.0
211.11287	4.2
211.13196	20.2
211.14969	2.3
213.12794	2.9
214.34877	1.7
215.14244	1.8
219.13875	1.8
219.28307	1.7
223.14882	3.5
227.12729	4.9
227.14667	2.1
229.19420	2.8
239.14265	2.9
239.17993	3.9
247.20453	3.4
249.14848	2.4
257.18988	9.6
267.15848	13.7
269.17380	3.0
271.13608	2.0
273.14764	3.7
273.18442	3.9
275.20041	32.7
277.14731	1.8
285.17007	4.0
287.16547	2.3
287.20084	2.4
297.21967	3.6
299.19843	2.0
301.14282	6.0
303.15927	2.2
313.21686	2.9
319.15302	3.2
331.22604	4.7
337.16531	2.3
349.23557	6.0
355.22324	2.2
383.22128	2.4
401.22787	4.0
419.24554	2.2
431.29614	2.0
449.30237	5.8
467.31491	2.5
475.26343	3.3
485.32187	2.1
523.33771	8.2
541.35236	48.6
542.35114	2.7
559.36121	5.5
565.34729	2.2
583.35895	6.7
605.32904	4.4
625.36938	2.5
649.37201	3.1
667.38300	8.2
685.39313	13.0
703.29199	2.7
703.40417	46.1
704.40173	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	703.406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24269	1.9
51.02380	1.8
53.03934	11.9
55.01869	16.8
55.05503	27.7
57.03425	9.3
57.07055	4.3
65.03934	4.1
66.63477	1.8
67.05501	65.4
69.03421	19.5
69.06705	2.8
69.07062	28.3
69.97937	2.2
70.06573	6.8
71.01340	2.0
71.04983	7.9
71.08629	2.4
71.54271	2.3
76.09304	2.1
79.05482	52.3
81.03411	65.3
81.06564	3.4
81.07049	69.7
81.90518	2.0
83.04974	16.1
83.08617	15.8
85.02898	8.6
85.06534	3.2
88.07618	5.2
91.03976	2.4
91.05475	76.2
93.07040	51.2
95.01305	11.5
95.04967	27.1
95.08595	45.6
97.02882	15.1
97.06516	21.1
97.10165	6.4
99.04454	3.4
99.08038	2.7
102.09193	5.1
103.09541	2.4
105.07021	72.3
107.04942	23.0
107.08591	30.6
109.02863	11.0
109.06515	7.3
109.10140	15.0
111.04435	9.5
111.08063	5.6
115.05371	4.4
117.07020	19.4
119.04873	2.2
119.08566	41.5
121.06525	6.9
121.10110	19.8
123.04401	3.8
123.08076	5.8
123.11780	4.7
125.09631	5.3
127.03926	8.0
128.06194	3.8
129.06998	14.1
131.08565	31.6
133.06448	5.0
133.10127	44.5
134.22905	1.9
135.04416	3.0
135.08049	5.6
135.11691	13.3
137.06015	2.1
137.09615	3.1
141.06981	5.9
142.07797	2.6
143.08557	8.4
145.06441	3.1
145.10120	24.3
147.04381	3.1
147.08046	4.7
147.11659	31.1
149.02315	15.3
149.09622	9.0
149.13286	5.6
150.02675	2.7
151.03908	3.8
151.11230	4.0
155.08540	5.1
157.10103	12.7
159.08113	3.9
159.11684	17.0
161.13245	8.5
162.20497	2.3
163.11180	6.9
165.09103	2.4
165.12761	4.9
169.10190	4.5
171.11653	5.3
173.11945	3.0
173.13203	9.9
175.11206	7.7
175.14772	2.5
177.12788	6.0
179.10619	2.1
179.14339	9.2
181.10172	3.7
183.08044	2.2
183.11713	5.0
185.09538	3.0
185.13297	3.3
187.11195	3.2
191.10764	3.7
193.04948	7.0
193.10538	2.7
193.12202	12.5
195.11742	3.3
197.13264	3.7
211.13200	17.2
234.56308	2.1
239.17552	2.2
245.19032	3.3
247.20575	3.2
256.26263	9.8
257.19049	7.1
257.26758	6.7
261.22180	2.8
267.15997	3.4
273.18637	3.8
275.20047	90.4
291.19708	2.6
293.21039	5.1
333.24274	2.3
337.17032	2.7
349.23654	10.3
351.14398	4.8
351.22839	2.0
355.17603	6.2
411.20132	5.0
430.12170	3.4
474.14673	2.8
541.35272	13.0
559.36218	6.6
611.35712	2.5
667.38019	4.4
685.28857	2.9
685.38318	13.7
703.39911	100.0
704.40527	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	703.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	16.8
55.01864	4.5
55.05260	2.7
55.05503	32.3
56.58797	2.1
57.03431	17.7
57.07065	4.8
58.89135	2.1
61.02896	3.1
65.03929	5.1
67.05495	92.0
69.03421	34.7
69.07059	23.7
70.33280	2.1
71.04994	11.7
71.35060	2.0
73.02900	2.4
79.05482	98.1
79.79905	2.2
81.03407	57.5
81.07044	85.2
83.04969	20.0
83.08610	14.7
85.02888	18.7
85.06546	2.3
86.09683	3.7
86.70422	2.2
91.05472	79.0
93.07030	100.0
93.07619	5.0
95.04957	27.4
95.08591	60.5
95.09155	4.6
97.02865	14.4
97.06512	6.5
97.10152	5.8
99.04421	6.4
99.08060	3.2
101.02353	2.3
103.05464	2.2
105.07020	47.9
107.04929	14.3
107.08580	39.8
109.02847	5.5
109.06493	8.8
109.10142	17.0
111.04415	3.2
111.08054	4.0
115.05388	3.3
117.07005	25.4
119.08567	34.0
121.06472	6.2
121.10137	25.8
123.03489	2.2
123.04382	3.4
123.08047	6.0
123.11723	3.9
127.03880	14.0
128.06181	4.8
129.05457	7.4
129.06985	25.4
131.04897	4.4
131.08557	28.7
133.06482	8.2
133.10121	25.8
135.08049	4.9
135.11696	11.7
137.09584	3.4
141.06956	3.8
143.08545	16.5
145.04932	3.4
145.06453	8.0
145.10083	19.7
147.08031	5.1
147.11662	26.4
149.13213	6.9
155.08553	4.1
157.06450	3.9
157.10094	6.2
159.08015	7.9
159.11670	8.9
161.09627	5.2
161.13264	17.7
167.08549	4.1
169.10135	3.9
171.08052	4.8
171.11679	18.9
173.04460	8.7
173.09557	3.5
173.13258	7.3
175.11076	2.6
175.14720	3.5
177.12752	3.4
179.14282	2.4
181.10184	5.4
183.08015	3.0
183.11687	7.6
184.07315	13.3
185.13220	5.1
187.11195	2.8
189.12704	7.2
197.09460	2.8
199.11295	2.3
207.13727	22.8
212.17545	2.2
213.16393	2.9
225.14815	5.1
241.15935	5.3
243.21053	3.7
259.16934	6.7
261.22000	13.3
269.15320	8.1
279.15924	3.0
281.17490	21.5
287.16400	15.6
335.25760	97.4
351.18375	2.9
361.20142	5.0
422.77292	2.7
425.21667	9.1
530.98077	2.4
535.46277	2.5
541.38824	61.4
555.39935	3.2
583.39716	3.2
621.41302	4.6
685.43390	2.6
703.43823	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	704.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01858	2.3
55.05507	11.1
57.03416	4.0
57.07059	1.6
59.04991	1.2
60.08150	0.9
61.02905	1.8
65.03925	2.6
67.05495	44.6
69.03432	1.6
69.07059	9.6
71.04985	14.0
73.06524	0.8
79.05483	36.4
79.05948	1.9
81.03420	7.4
81.07046	57.3
83.04974	7.9
83.08616	8.1
85.02882	1.9
85.06532	3.4
86.09682	3.3
91.04891	1.1
91.05467	30.5
93.07031	33.7
95.04967	10.4
95.08589	18.1
97.02865	3.4
97.06498	3.8
97.10156	2.6
99.04427	1.1
102.97210	0.9
105.04489	1.1
105.07017	22.4
107.04940	3.4
107.08585	15.6
109.02882	1.7
109.06496	5.3
109.10162	5.0
111.04417	1.0
111.08067	1.5
114.61006	0.9
115.05413	1.1
117.06992	7.3
119.08563	12.2
121.06468	1.7
121.10115	4.9
123.08047	3.1
123.11693	5.5
125.00001	1.6
128.06190	0.9
129.07011	7.8
131.08600	5.1
133.10127	12.1
135.08061	1.5
135.11667	3.3
143.08539	5.3
145.10077	5.6
147.11670	13.0
149.09532	1.4
149.13251	4.3
151.11116	2.5
159.11659	3.4
161.09579	2.0
161.13255	3.8
163.11150	1.3
171.11690	10.0
173.13283	1.0
177.12727	2.9
183.13663	1.6
184.07335	8.7
187.13370	1.0
189.12721	3.4
195.13683	0.9
207.13792	7.9
221.13266	0.9
225.14796	1.8
269.17279	4.7
275.19968	1.7
281.17453	12.2
301.19965	4.6
449.28909	24.9
463.30273	3.1
475.30496	100.0
476.30490	5.3
507.33191	20.0
508.33337	1.2
542.35284	3.2
543.36584	2.1
651.37408	2.0
686.39374	1.6
704.39850	2.8
705.40521	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	704.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.05022	0.6
56.50200	0.2
58.06615	0.3
58.68500	0.2
60.07864	0.4
60.08154	6.4
67.05476	0.6
69.31747	2.3
71.07364	3.2
78.48875	0.2
79.05478	0.5
81.07030	0.7
83.08600	0.4
86.09692	33.1
89.06030	0.3
91.05485	0.4
93.07053	0.4
95.08585	0.4
98.98444	3.1
104.10734	3.0
105.07033	0.3
107.08581	0.3
115.73017	0.2
124.99986	21.5
135.11638	0.4
143.00989	0.5
145.10074	0.4
184.07310	100.0
185.07674	0.8
206.51823	0.2
290.61868	0.2
294.76321	0.2
313.55991	0.2
382.91830	0.3
496.33896	0.3
563.43390	0.4
704.44855	11.6
705.45233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1842
Annotation	Diinsinin
Peak:m/z	Relative Intensity
71.53096	0.8
78.87469	0.4
106.69617	0.6
128.98615	0.5
158.99727	0.5
173.03085	0.5
177.00786	1.0
219.01826	0.9
263.06152	0.7
275.06207	0.7
305.07059	0.5
363.05875	1.0
373.12381	0.5
381.07095	0.7
423.08026	4.6
441.09439	0.8
485.12357	0.5
525.12317	1.0
543.13159	36.8
544.13489	1.2
613.80371	0.6
705.18408	100.0
706.18964	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	705.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01861	3.9
55.05504	16.1
57.03436	7.7
57.07067	2.0
57.33492	1.1
61.02917	12.5
64.65704	1.1
65.03932	2.0
67.05148	2.3
67.05496	27.1
69.03422	11.7
69.07056	8.9
70.09045	1.1
70.74116	2.9
71.04984	5.7
73.02912	6.5
79.05481	22.1
81.03410	22.3
81.07047	26.3
83.04974	7.4
83.08611	9.5
85.02895	12.8
91.03953	5.8
91.05469	23.3
93.07037	21.5
95.04963	12.1
95.08596	16.6
97.02883	12.8
97.06526	3.8
97.10159	8.1
97.93688	1.0
99.04443	1.8
99.08120	1.2
101.02364	1.4
105.03357	1.2
105.07011	18.3
107.04955	3.9
107.08578	13.5
109.02879	4.4
109.06487	1.8
109.10143	9.9
111.04443	3.5
111.08092	3.9
115.05445	2.0
117.06997	8.8
119.08567	18.3
121.06509	3.4
121.10134	7.6
123.08081	2.9
123.11691	2.3
125.09619	5.1
127.03927	4.6
128.06247	1.4
128.15935	1.1
129.05463	1.8
129.06989	8.4
131.08557	16.3
133.06517	1.9
133.10101	12.5
135.08038	4.2
135.11720	5.7
137.09659	2.3
141.06998	3.1
142.07765	2.6
143.08554	9.7
145.06502	3.5
145.10094	14.2
147.08087	2.0
147.11674	9.7
148.62514	1.0
149.09573	2.4
149.13249	3.2
151.11186	1.2
153.09084	1.1
155.08542	5.1
156.09332	1.4
157.06459	1.4
157.10132	10.4
158.07370	1.2
159.08035	2.5
159.11687	9.0
161.09628	1.6
161.13251	4.7
163.11171	2.8
163.14795	1.5
167.08636	2.1
169.10100	6.2
171.08040	1.7
171.11696	8.7
173.04492	2.2
173.09589	1.6
173.11801	1.9
173.13248	6.4
175.11206	2.8
179.08524	1.4
181.10101	3.3
183.07986	1.2
183.11716	4.5
184.07271	1.7
185.09645	2.5
185.13254	5.4
187.11203	1.9
187.14827	2.0
189.11223	2.6
189.12804	1.8
191.10608	2.1
193.10339	1.4
193.12256	6.9
195.11685	3.0
195.13831	1.3
197.13275	2.9
199.11252	2.2
199.14900	3.2
201.12793	2.1
203.14320	1.2
209.13264	3.2
211.11368	2.1
211.13113	7.5
211.14995	1.9
213.16409	2.4
221.13181	1.5
223.14780	2.0
227.12775	4.1
235.14948	1.6
237.16440	1.5
241.19472	3.0
257.19073	1.9
259.20584	6.8
267.15887	1.7
275.20215	3.9
283.20569	2.1
285.17026	1.4
293.05508	1.2
297.22226	2.1
299.23874	4.2
301.21512	3.0
313.21451	1.7
315.23056	1.5
325.21329	2.6
333.24066	5.4
339.23322	1.4
357.24414	1.9
367.22592	1.8
385.23657	1.3
403.24725	1.9
421.25949	1.6
429.21210	2.0
433.30966	6.4
435.27298	2.0
451.31912	9.3
469.32742	2.5
479.29794	1.3
507.34100	1.4
515.37286	2.5
525.35828	18.1
541.35004	2.5
543.36731	100.0
544.37097	3.0
555.36658	1.4
561.37915	1.5
567.37036	1.2
576.90497	1.3
585.37518	2.8
633.38000	1.6
651.38190	4.8
669.39569	5.1
687.40869	8.6
705.42108	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	705.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
53.11711	1.3
55.01867	5.8
55.05503	20.7
55.22599	1.4
57.03428	7.8
57.07080	3.9
61.02930	1.2
65.03934	6.1
67.05496	92.8
69.03420	26.0
69.07059	15.3
71.04984	60.8
79.05483	70.8
81.03046	1.1
81.03407	55.5
81.07043	100.0
82.07365	1.9
83.04975	14.7
83.08602	12.0
85.02880	6.5
85.06529	9.1
86.09697	3.6
87.04456	6.0
91.05469	61.9
93.07031	68.9
95.04962	14.3
95.08598	38.0
97.02879	15.4
97.06513	9.2
97.10162	4.9
99.04432	8.1
99.08087	3.6
103.05421	1.4
105.07017	37.7
107.04958	4.0
107.08579	38.7
109.02875	12.7
109.06519	4.7
109.10140	17.7
111.03786	1.3
111.04426	8.6
111.08080	3.3
114.48314	1.3
115.05435	2.6
117.06997	15.2
119.08566	16.9
121.06521	2.8
121.10132	24.1
123.08099	2.6
123.11689	13.6
125.00004	2.2
125.09645	3.0
127.03900	9.9
128.06273	1.5
129.05449	3.4
129.06995	5.4
131.08559	18.5
133.06419	1.7
133.10104	28.8
133.11046	1.9
135.04495	1.5
135.08054	3.0
135.11659	13.2
137.09613	2.1
141.07077	1.5
142.07753	1.7
143.08583	4.9
145.06511	1.4
145.10132	11.1
147.08041	2.3
147.11693	12.3
149.09605	3.4
149.13239	12.3
151.11153	10.9
155.08589	3.4
157.10132	5.9
159.07976	1.6
159.11676	16.1
161.13220	6.4
163.11150	1.6
163.14893	1.8
165.12772	2.3
169.10114	2.8
169.12202	2.4
171.11702	3.8
173.04449	11.9
173.13245	6.6
175.11150	2.4
175.14865	2.0
177.12782	9.5
183.11789	1.7
183.13843	7.6
184.07347	13.8
185.13303	4.4
187.11552	2.5
187.13322	13.3
187.14687	2.7
189.12700	1.4
193.12285	4.7
195.13785	7.8
197.13304	3.0
201.14778	3.2
207.11827	1.7
211.13203	2.8
213.12843	2.2
213.14799	2.2
227.12682	1.6
229.14468	1.6
257.17435	3.0
259.20837	2.5
261.22226	4.5
269.17538	3.2
273.22296	2.0
277.21722	2.6
285.74298	1.4
293.21359	1.8
309.22189	1.8
317.24860	1.8
321.17078	2.6
335.25986	5.0
339.18130	8.5
349.27582	6.5
351.22986	1.6
352.54849	1.3
369.24356	3.0
387.25711	1.6
395.20648	2.8
427.23279	4.3
443.28064	2.5
461.29358	2.3
501.39011	1.7
503.37344	3.7
517.38934	9.4
525.35718	2.8
529.38788	2.1
543.36829	8.7
561.41412	3.9
627.42108	1.6
651.39209	1.5
655.42010	2.3
671.91010	1.8
673.43073	7.6
705.45624	62.5
706.46014	5.5
722.58313	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	705.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.4
55.01865	5.5
55.05502	25.3
57.03425	6.8
57.07063	3.9
57.58476	2.1
65.03931	6.0
66.04709	1.8
67.05496	93.6
69.03417	27.7
69.07064	18.9
69.21644	3.5
69.22046	19.3
71.04985	60.3
79.05486	67.4
79.05952	3.8
81.03410	48.1
81.07046	100.0
83.04970	15.3
83.08601	12.5
85.02900	5.1
85.06541	6.9
86.09692	9.8
87.04465	5.3
91.05467	70.5
93.07030	64.8
95.04948	16.8
95.08028	3.4
95.08595	39.4
95.84524	1.9
96.08936	1.9
97.02877	10.9
97.06506	9.0
97.10174	3.7
99.04454	5.7
99.08105	1.9
105.03707	1.8
105.07017	38.1
107.04928	5.4
107.08586	38.6
109.02862	11.2
109.06536	5.1
109.10141	19.1
111.04417	5.4
111.08076	4.2
117.07005	18.0
119.08560	20.6
121.06521	4.2
121.10110	18.7
123.04404	2.4
123.08089	2.3
123.11679	14.8
124.99174	1.8
124.99999	7.6
125.09608	3.8
127.03915	7.8
129.05461	2.8
129.06989	6.7
131.08551	22.9
133.10106	28.9
135.11659	16.8
137.09612	3.5
142.07806	3.2
143.08575	6.5
144.27579	1.9
145.10110	12.3
147.11633	12.0
149.05951	2.4
149.09593	2.5
149.13235	12.7
151.11162	12.2
157.10172	5.5
159.08054	2.8
159.11684	17.7
161.13222	5.1
163.11124	2.9
167.08562	2.5
171.11652	4.1
173.04454	12.7
173.09666	2.1
173.13312	3.8
175.11201	2.8
177.12727	6.8
183.11624	2.4
183.13841	7.9
184.07333	23.1
185.13269	3.3
187.13251	14.3
187.14714	3.6
191.10654	2.3
193.12144	2.6
195.13788	7.1
197.13272	1.9
201.14801	6.0
209.13242	3.2
227.12698	2.2
243.15869	3.0
243.21101	2.2
257.17529	2.8
259.20468	2.6
261.22159	4.9
269.17496	4.6
288.21890	2.0
301.21472	2.2
321.16522	2.8
335.25790	5.2
339.18073	7.7
349.27338	3.8
351.23074	5.9
369.24149	6.9
387.25244	3.9
431.21826	2.0
443.27545	3.1
461.28848	5.0
503.37393	2.7
517.38623	7.8
543.36627	2.7
561.41565	4.7
608.25726	3.4
611.39093	2.2
655.42255	3.2
661.42786	2.5
673.42505	8.7
705.45514	48.6
706.45587	4.6
718.38202	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	706.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35817	1.0
53.00297	2.2
53.03935	3.1
55.01853	4.7
55.03952	1.0
55.05504	18.7
57.03426	11.6
59.04987	2.7
61.02909	4.3
66.91251	0.9
67.05492	23.0
69.03419	3.4
69.07053	7.3
69.23699	12.6
71.01328	1.9
71.04971	4.0
73.02903	1.3
76.16739	1.0
79.05474	21.4
79.07356	1.1
81.03404	45.0
81.07046	29.3
83.04971	15.9
83.08608	24.3
85.02889	17.4
85.06512	1.5
91.03937	1.9
91.05468	37.0
92.05798	1.0
93.06454	1.4
93.07030	22.1
95.04951	21.0
95.08599	9.1
97.02847	7.9
97.03294	0.8
97.06508	4.2
97.10152	3.5
99.00809	13.9
105.06363	1.9
105.07014	26.5
107.04933	9.7
107.08576	12.6
109.02876	8.8
109.06509	5.6
109.10134	6.4
111.04423	4.4
111.08049	8.1
113.06001	1.6
114.70593	1.1
115.03918	2.0
115.05435	1.7
117.07000	4.2
119.04941	1.6
119.08562	17.7
121.06464	6.7
121.10133	6.9
123.04385	1.7
123.08050	1.6
123.11672	2.6
125.09567	1.4
127.03869	2.4
128.06264	1.4
129.06964	6.8
131.08560	7.9
133.06493	2.9
133.10106	34.7
134.10440	1.9
135.08054	1.3
135.11665	2.6
137.05984	2.1
137.09596	2.9
139.07532	2.3
142.07747	2.0
143.08545	3.3
145.06479	1.5
145.10115	3.6
147.08037	3.7
147.11676	8.7
149.09589	5.4
151.11136	9.1
157.10107	9.7
161.09583	12.7
163.11143	4.1
165.12674	2.3
171.08031	3.0
175.11162	9.0
179.10674	7.3
184.07324	2.7
189.09129	7.0
193.12215	29.4
197.11743	3.4
207.10146	3.6
209.11693	1.4
210.86052	1.1
211.13258	51.6
212.13644	2.1
225.11163	8.8
227.12733	1.7
243.12146	2.5
265.14325	1.4
267.15875	22.8
281.13794	6.0
283.15292	3.7
285.16910	46.1
286.17361	2.0
290.09396	1.4
299.14850	65.9
300.15161	1.8
301.16611	2.5
385.23679	1.2
445.25729	1.7
459.27637	5.5
473.24985	2.5
477.28256	2.5
491.26233	16.7
492.26544	1.4
509.27383	100.0
510.27716	10.1
657.00726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51324	0.1
50.84176	0.1
55.05494	0.3
56.05024	0.7
57.06778	0.1
57.07063	0.2
58.06618	0.4
59.07386	0.1
60.08155	6.1
61.08467	0.1
67.05500	0.6
69.07053	0.2
70.06582	0.1
70.21507	0.5
71.04974	0.1
71.07360	3.3
79.05487	0.3
81.03419	0.4
81.07039	0.4
82.31054	0.1
83.04961	0.3
85.02891	0.1
86.09693	30.9
87.04446	0.3
87.10030	0.2
91.05473	0.3
93.07021	0.3
95.04959	0.1
95.08604	0.3
98.98454	3.3
104.10732	2.3
105.06999	0.2
107.08597	0.2
109.10133	0.2
111.04484	0.1
111.13089	0.1
116.99413	0.1
118.93335	0.1
119.08558	0.2
121.10176	0.2
124.99986	21.9
125.66637	0.1
130.07907	0.1
131.08539	0.1
133.10117	0.1
143.01030	0.3
149.09589	0.1
149.84247	0.1
166.02579	0.1
176.53371	0.1
184.07315	100.0
185.07678	0.8
193.12231	0.2
211.13277	0.3
300.39447	0.1
335.25800	0.2
429.99792	0.1
496.34030	0.2
689.42120	0.1
706.46460	5.1
707.46680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63534	1.1
56.34042	1.1
57.91844	1.0
65.03918	2.0
65.71230	1.0
67.05492	1.2
71.56230	1.7
83.04960	4.5
85.02882	1.1
89.03946	1.7
93.03410	1.6
95.04933	1.4
111.04440	5.9
115.05489	1.3
123.04385	1.8
129.05431	1.2
133.02756	2.3
135.04391	2.9
135.28194	1.1
137.02328	5.5
139.03873	3.5
147.04324	1.2
147.06508	1.1
157.04977	1.3
163.03900	26.9
164.04192	1.1
165.07011	3.4
173.02319	2.1
177.06931	1.4
179.03459	1.9
185.05789	1.0
187.03893	4.8
193.06494	4.4
197.05989	1.4
203.03238	1.4
205.06419	2.7
211.07529	1.7
214.18407	1.1
221.05949	26.9
223.07523	4.7
231.02832	1.3
233.05968	3.9
239.06981	7.6
249.05496	34.6
250.05983	1.2
251.07040	5.0
253.04913	2.0
255.06459	3.0
267.06583	8.2
269.08017	1.8
277.04938	27.3
278.05673	2.1
279.06381	5.7
281.04395	3.3
285.07581	1.8
291.67218	1.2
295.05972	96.4
296.06387	2.8
297.07584	3.4
299.05533	3.0
305.04477	6.2
313.07001	4.9
319.94220	1.1
323.05457	100.0
324.05850	4.1
341.06509	26.0
366.19638	1.1
469.11002	2.3
497.10544	1.8
515.11627	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	707.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
69.03415	1.4
69.87599	1.9
70.06580	4.5
70.99848	0.4
71.06897	0.5
73.02896	1.3
76.76917	0.4
77.00894	0.6
80.39152	0.3
81.03398	0.6
82.99882	1.2
83.04965	0.8
85.02902	2.7
91.03938	0.4
94.99847	0.6
97.02880	1.4
98.97565	0.6
101.00861	3.4
109.02882	0.5
111.04447	0.5
113.00859	1.0
116.98600	0.4
119.01904	10.6
121.01411	0.4
122.01363	0.5
127.02359	1.2
127.03925	1.9
128.98645	0.5
131.01892	5.7
131.51988	0.5
133.03366	0.5
135.04414	0.5
137.01884	1.3
137.02927	2.2
139.03848	0.8
143.01875	13.8
143.51842	0.6
145.03462	7.4
145.04738	0.8
145.50655	0.4
146.99680	0.4
147.01320	0.8
149.01889	0.5
149.02922	1.0
151.03857	0.4
152.02411	1.4
152.52490	0.6
155.01874	7.8
157.03470	3.3
158.99644	0.6
161.02937	19.1
162.02950	0.4
163.03925	1.6
165.05428	0.7
167.01822	4.8
167.03026	0.5
169.03429	2.2
170.60526	0.4
171.01363	0.5
171.05035	2.2
173.02939	18.6
174.03003	0.4
175.04475	1.5
179.01799	2.3
179.03247	0.5
181.03464	0.5
182.03416	0.6
184.04564	0.8
185.02928	34.6
186.03049	1.0
187.04541	3.3
189.00745	0.8
189.05995	0.5
191.03841	1.9
196.04553	0.7
197.02943	11.9
198.02959	0.4
199.04503	1.0
203.03979	12.7
204.04015	0.6
208.04469	0.9
209.02902	1.2
211.04590	0.5
212.04597	0.5
215.03984	8.8
219.01749	0.5
221.03072	0.7
221.05038	4.6
224.04565	1.5
227.03979	7.7
233.05074	0.8
237.02582	0.5
239.03902	1.0
239.06075	4.6
245.05038	100.0
246.05220	3.1
254.05782	0.4
257.05029	5.8
261.02823	0.7
263.06100	20.7
264.06317	0.4
269.04642	0.5
272.06509	1.7
275.06085	28.9
276.06393	0.5
281.07202	0.7
283.06540	0.5
284.06754	2.5
284.56790	0.9
286.07834	1.3
287.06076	0.9
293.07159	3.7
305.07126	13.0
317.07150	0.9
323.08264	0.4
329.07245	0.6
335.08163	3.8
347.08093	1.2
353.08875	0.4
362.09607	0.6
364.59708	0.5
365.09253	42.6
365.58951	0.5
366.09409	1.2
383.10349	7.2
406.12006	0.8
407.10330	0.9
425.11353	44.6
426.11423	1.4
437.11368	4.2
446.10529	1.1
449.11295	0.7
455.11835	3.9
497.12991	0.4
509.13605	0.5
536.13934	0.6
545.13184	0.9
707.19354	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	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57392	0.5
61.02889	0.7
61.61763	0.5
67.98475	0.6
69.03417	1.6
70.06567	1.6
70.48997	0.5
70.49350	2.1
73.02904	1.1
81.03374	0.6
82.99831	0.8
85.02888	2.0
97.02867	1.2
98.97527	0.7
101.00832	3.8
113.00904	1.1
119.01909	13.1
122.01380	0.7
127.02403	1.2
127.03899	1.3
131.01891	7.5
137.01874	3.0
137.02953	2.3
139.02505	0.6
139.03935	0.5
143.01881	15.2
144.01866	0.7
145.03455	6.6
147.01350	1.3
147.77145	0.5
149.01886	1.2
149.02965	1.1
152.02383	1.7
155.01872	8.6
157.03461	4.7
161.02942	20.2
163.03923	0.9
164.02487	0.8
167.01866	5.4
167.03008	0.5
169.03456	2.2
171.05028	2.9
173.02943	21.6
173.52989	0.7
174.03232	0.7
175.04477	1.6
179.01889	1.9
179.03192	1.0
181.03453	1.1
182.03490	1.0
184.04597	0.6
185.02943	37.5
186.03046	0.7
187.04538	3.4
188.03372	0.8
191.03912	1.0
194.03453	0.7
197.02925	12.7
203.03995	13.1
203.54021	1.1
204.04030	0.6
208.04489	0.8
209.02988	1.5
212.04434	1.0
215.04030	9.9
219.01839	0.8
221.05022	4.0
224.04553	1.9
227.03993	8.7
239.04033	0.6
239.06178	3.6
245.05052	100.0
246.05333	2.9
254.05598	1.5
257.05075	5.5
263.06116	20.1
268.69070	0.6
269.05292	0.7
272.06503	1.2
275.06107	28.0
276.06299	1.0
281.06955	0.7
284.06720	4.0
284.56689	1.0
286.07877	0.6
287.06161	0.6
293.07132	4.2
305.07178	11.8
317.07120	0.8
335.08307	3.8
347.08124	1.6
364.59424	1.5
365.09271	42.2
365.59509	1.1
366.09360	1.2
383.10294	5.7
407.10107	1.0
425.11380	43.5
426.11697	2.6
437.11267	3.4
446.10345	0.9
449.10938	0.7
455.12381	2.8
485.13223	0.6
707.19092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01860	3.5
55.05290	1.0
55.05507	13.0
57.03430	4.9
58.06624	0.8
60.08163	5.7
61.02903	1.2
65.03923	2.5
67.05499	32.6
69.03427	8.5
69.07059	9.8
69.24318	9.4
71.04982	4.6
71.07357	2.5
73.02915	1.2
76.45232	0.7
79.05482	20.9
80.05804	0.8
81.03410	47.4
81.07047	36.6
81.07436	0.6
82.03728	1.1
83.04977	16.9
83.08613	11.9
85.02892	8.3
85.06548	1.9
86.09697	30.7
87.10017	4.9
91.04883	0.8
91.05469	21.1
93.07034	26.2
95.04961	11.7
95.08594	21.9
95.09210	1.1
97.02890	9.0
97.06512	4.6
97.10165	3.9
98.98464	4.0
99.04449	3.2
99.08084	1.7
104.10730	2.0
105.04504	1.2
105.07014	16.5
107.04951	3.4
107.08588	13.4
109.02862	7.8
109.06516	2.7
109.10143	11.2
111.04428	10.0
111.08076	6.2
115.05454	1.0
117.06998	4.7
119.08565	14.1
121.06506	1.9
121.10123	12.1
123.08057	1.4
123.11693	4.9
124.99983	20.1
125.00856	1.6
125.05956	1.0
125.09611	1.9
126.00378	1.4
127.03895	5.1
128.06219	1.3
129.05499	5.2
129.06972	6.0
131.08557	9.9
133.06462	1.5
133.10127	10.4
135.08022	1.9
135.11670	7.2
137.09601	0.9
137.13275	1.2
141.06978	1.6
142.07771	2.5
143.08546	2.4
145.06520	1.3
145.10101	7.6
147.08086	1.6
147.11690	10.9
149.09612	2.7
149.13255	2.9
151.11177	2.1
153.12709	3.7
155.08572	1.3
157.10112	6.9
159.08025	1.4
159.11693	5.1
161.09634	1.3
161.13287	2.8
163.07613	0.8
163.11136	6.0
163.14804	1.3
165.12730	1.4
169.10065	2.1
171.07983	0.9
171.11684	2.4
173.09583	2.2
173.13234	2.8
175.11171	5.7
175.14751	1.6
181.12288	4.3
181.13637	0.8
182.14247	0.8
183.11685	2.1
184.07321	100.0
185.07690	16.6
185.13205	1.9
187.14778	1.3
189.11191	1.3
189.12776	1.1
191.10626	4.3
193.12231	15.7
197.13301	1.6
199.14839	1.3
211.13271	24.2
211.15205	1.6
225.16342	1.0
227.12755	7.8
229.14287	1.5
243.21117	1.3
259.20566	1.2
261.22025	4.2
267.15768	4.4
275.23520	0.8
277.21640	1.4
279.23196	0.9
283.15393	3.6
285.16962	9.1
301.16348	1.3
301.21573	1.6
303.23145	1.6
315.22998	0.8
317.24579	1.3
319.22592	0.9
327.23373	0.9
335.25766	9.2
337.27396	5.6
351.23184	1.7
355.17529	1.2
369.24149	4.3
377.26675	0.8
387.25360	2.2
405.26202	1.7
427.19623	2.6
429.20978	3.8
453.33618	1.1
461.28787	1.8
479.30359	1.2
527.37109	4.7
545.38330	16.8
546.38837	0.9
563.39331	0.9
569.37726	1.4
595.46094	1.0
653.40234	2.7
671.41077	3.1
689.42310	7.7
707.46204	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	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03941	9.6
55.01862	7.1
55.05502	36.7
57.03426	13.7
57.07066	3.3
59.41604	1.1
61.02907	1.7
62.79211	1.2
65.03925	5.3
67.05495	76.9
69.03416	22.1
69.06702	1.6
69.07058	19.2
71.01337	1.5
71.04985	10.5
71.08601	1.3
71.57352	1.6
73.02893	5.2
78.71875	1.1
79.05480	54.0
81.03407	100.0
81.07047	76.5
82.07367	1.4
83.04967	48.5
83.08605	28.4
85.02888	21.6
85.06524	5.2
86.09679	3.6
87.04459	1.5
87.10083	1.3
91.05467	52.8
92.05789	1.3
93.07030	54.4
94.07384	1.5
95.04953	30.3
95.08592	49.1
96.05269	1.2
97.02876	26.9
97.06497	10.9
97.10146	5.1
99.04430	8.6
99.08020	2.6
103.03937	1.8
103.05441	2.0
105.07015	35.7
107.04955	8.1
107.08580	27.4
109.02870	11.3
109.06504	7.4
109.10139	21.3
111.04426	22.8
111.08082	13.5
113.06013	2.4
115.05448	2.5
117.07014	13.7
117.70944	1.1
119.08566	35.4
121.06490	4.8
121.10120	29.3
123.04448	1.3
123.08039	4.6
123.11699	9.4
124.99994	5.2
125.06068	1.3
125.09611	4.8
127.03896	11.8
128.06149	2.1
129.05499	13.6
129.06990	16.2
130.07751	1.4
131.08542	23.6
133.06473	4.7
133.10121	16.8
135.08099	3.1
135.11665	17.2
137.05986	2.1
137.09595	2.5
137.13264	2.6
141.06975	2.8
143.08548	6.6
145.06459	1.8
145.10104	16.1
147.08020	4.0
147.11649	21.1
149.09624	7.9
149.13211	7.7
151.11182	2.2
153.12724	8.5
155.08542	2.2
157.06476	1.3
157.10130	16.3
159.08037	2.7
159.11671	9.2
161.09602	2.1
161.13274	5.9
163.11160	9.8
163.14821	3.2
165.12729	5.7
169.10143	2.3
171.08011	1.8
171.11691	4.3
173.09621	3.0
173.13219	7.3
175.09651	2.1
175.11128	13.2
175.14867	3.8
177.12682	1.6
179.08643	1.5
179.51227	1.4
181.10248	1.7
181.12209	8.0
183.06502	1.7
183.11646	3.7
184.07332	16.7
185.07732	2.5
185.13234	3.5
187.14813	3.5
189.12758	1.7
191.10661	9.1
193.12218	42.0
195.13719	1.3
197.13255	2.6
199.11147	1.6
199.14861	1.7
209.11668	3.4
211.13264	67.1
212.13583	2.1
223.14967	1.6
227.12712	14.2
229.14316	4.8
235.13152	1.4
243.21097	2.3
259.20627	1.8
261.22107	12.6
267.15897	9.9
277.21701	2.0
279.23221	2.1
283.15387	8.5
285.16904	14.9
289.21454	1.5
301.16730	1.8
301.21298	1.6
303.23138	2.4
317.24606	3.6
335.25748	34.8
336.26093	1.9
337.16373	2.0
337.27274	9.8
345.24246	2.9
351.23026	1.9
353.15820	2.4
355.17297	3.8
369.24252	6.7
387.25186	4.1
405.26508	1.9
427.19229	1.7
429.21194	5.6
435.32562	3.0
443.27884	1.8
453.33313	1.6
461.28680	2.8
479.29868	2.9
527.37354	8.7
545.38287	33.8
546.38440	2.5
563.39014	2.3
579.11157	1.5
584.13501	1.3
603.60828	1.4
635.39984	2.2
653.40192	4.4
671.40906	4.4
689.42474	17.3
707.43512	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	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.2
55.01862	9.9
55.05505	29.9
57.03426	13.8
57.07056	3.4
61.02915	2.4
65.03934	4.5
66.33890	1.9
67.05495	71.9
69.03132	1.9
69.03422	23.2
69.07058	19.3
71.04973	9.4
71.71982	1.8
79.05482	48.7
81.03405	100.0
81.07045	79.7
83.04971	40.7
83.08613	27.1
85.02891	18.3
85.06532	2.8
86.09683	4.5
87.04459	12.9
88.66710	1.8
91.05470	48.8
93.07022	52.0
95.04964	23.1
95.08585	51.8
97.02882	19.0
97.06516	9.0
97.10142	6.6
99.04408	7.3
99.08060	4.6
105.07018	39.5
107.04922	7.1
107.08578	29.8
109.02861	15.0
109.06493	6.2
109.10144	24.3
111.04440	23.1
111.08061	12.3
113.05954	2.6
117.06995	16.3
119.08560	29.4
121.06458	6.3
121.10124	28.5
123.04386	3.1
123.08041	4.7
123.11709	10.1
124.99937	2.9
125.05940	2.6
125.09609	5.6
127.03906	9.7
129.05463	13.2
129.06970	11.2
131.08542	21.2
133.06470	3.3
133.10114	18.2
135.08023	2.9
135.11659	16.4
139.11180	3.3
142.07744	4.7
143.08533	6.9
145.06325	2.3
145.10085	14.7
147.07985	5.8
147.11647	23.6
149.09579	8.4
149.13234	6.0
151.07440	2.4
153.12686	6.3
155.08530	4.2
157.10143	17.4
159.07999	2.3
159.11667	8.6
161.13229	6.9
163.11185	11.7
163.14803	3.1
165.09142	1.8
165.12711	4.5
169.10104	2.2
171.08038	2.4
171.11665	6.1
173.09584	2.8
173.13228	5.4
175.11148	15.9
175.14687	2.7
181.10223	2.7
181.12166	10.9
183.11603	2.9
184.07307	15.7
185.13239	6.6
187.11133	1.9
187.14764	4.3
189.11125	2.9
189.12752	2.8
191.10547	10.2
193.12215	37.6
195.11591	2.4
195.13908	2.1
197.13188	3.0
211.13239	56.4
227.12724	22.0
229.14264	4.6
243.20990	2.9
246.75644	2.1
249.14905	3.1
261.22058	9.5
267.15848	15.9
279.23206	3.0
283.15332	10.2
285.16895	19.6
301.21591	2.7
303.23132	3.8
315.23029	2.2
317.24612	3.0
333.24271	3.2
335.25842	24.8
337.16348	2.5
337.27463	13.9
351.23364	4.5
355.17438	3.4
369.24124	7.6
387.25085	6.5
405.26465	3.0
427.19528	4.8
429.21265	11.2
435.32275	2.4
443.27823	3.3
461.28885	3.9
471.34769	2.9
479.29907	2.8
527.36859	7.3
544.34619	2.4
545.38300	31.3
546.38702	3.6
653.40509	9.4
671.40778	5.3
689.42627	17.7
707.43665	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	707.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01864	7.9
55.05503	31.7
57.03429	15.6
57.07063	3.1
61.02906	2.0
65.03923	5.5
67.05494	75.0
68.05817	2.7
69.03421	20.2
69.07060	20.9
69.17502	1.4
69.31561	14.6
71.01332	1.7
71.04979	8.9
73.02900	3.6
77.03937	1.8
79.04999	1.6
79.05481	56.4
81.03407	100.0
81.07043	79.5
83.04964	44.1
83.08607	21.5
85.02896	19.6
85.06538	2.8
87.04432	1.3
91.03934	1.9
91.05467	51.0
92.05778	1.7
93.07028	56.4
93.71715	1.4
94.07335	2.3
95.04955	24.2
95.08593	46.9
96.08905	1.8
97.02876	24.1
97.06516	10.1
97.10185	7.1
99.04437	7.1
99.08085	3.1
103.05444	3.1
105.04501	1.8
105.07019	41.3
107.04935	7.5
107.08572	30.4
109.02862	15.1
109.06489	6.8
109.10139	26.5
111.04427	20.1
111.08073	11.4
113.06022	1.7
115.05478	3.1
117.06982	12.3
119.08565	32.2
121.06490	5.8
121.10123	31.5
122.10464	1.5
123.04408	1.9
123.08048	4.9
123.11687	9.1
125.09586	3.2
127.03920	10.1
128.06207	2.4
129.05487	15.7
129.06970	13.1
131.08545	24.8
133.06445	4.1
133.10104	20.6
135.08006	2.0
135.11684	19.0
137.09601	3.9
139.11172	1.7
141.07001	2.4
142.07805	3.4
143.08582	7.8
145.06461	2.7
145.10085	15.6
147.08083	4.5
147.11662	25.3
149.09633	7.3
149.13231	6.9
151.11130	2.3
153.12704	7.5
155.08560	3.8
157.06543	1.7
157.10101	15.8
159.08046	1.9
159.11662	6.7
161.09641	1.8
161.13266	4.5
163.11151	10.9
163.14845	3.1
165.12756	6.5
169.10126	3.7
171.11662	5.0
173.04517	1.8
173.09610	4.4
173.13240	4.0
175.11136	11.7
175.14777	3.0
181.12224	8.5
183.11774	3.0
185.13190	2.4
187.11092	1.6
187.14809	2.5
188.46434	1.8
189.11192	2.8
189.12791	2.2
189.16528	1.6
191.10660	6.4
193.12218	35.6
199.11124	2.3
199.14751	1.8
209.11723	4.2
211.13254	56.9
212.13689	1.5
227.12729	15.9
229.14371	6.0
243.21109	2.4
259.20566	2.9
261.22156	11.8
267.15875	12.0
275.20062	1.8
277.21622	2.0
283.15332	10.1
285.16946	16.7
301.16898	1.9
301.21527	2.8
303.23148	2.1
315.22867	1.9
317.24756	4.8
335.25766	32.5
336.26456	1.7
337.27322	8.8
341.24600	1.6
351.22946	1.9
355.17361	4.3
369.24155	4.8
387.25262	3.1
405.26404	1.5
427.19440	2.5
429.21399	6.8
443.27747	2.5
461.28967	2.0
479.30179	3.7
527.37482	8.9
543.37653	1.5
545.38312	33.2
561.38049	1.8
653.40588	3.9
671.41193	3.5
689.42279	15.0
690.41565	3.0
707.42633	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	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.0
55.01867	9.6
55.05502	35.4
57.03431	15.8
57.07073	2.5
59.04993	2.5
61.02911	2.5
65.03931	5.8
67.05496	81.5
68.05833	2.7
69.03422	17.1
69.07060	23.5
69.96257	5.9
69.96664	5.0
71.01321	2.0
71.04979	11.2
79.05486	56.7
81.03410	100.0
81.06567	4.6
81.07046	90.8
82.07395	3.1
83.04969	42.1
83.08604	23.5
83.68633	2.2
85.02913	15.2
85.06532	6.8
86.09653	2.0
90.26704	1.9
91.05474	49.6
91.57307	1.8
92.05808	2.9
93.06459	3.5
93.07037	58.4
95.04951	34.6
95.08595	56.7
96.08896	3.5
97.02881	25.5
97.06505	11.7
97.10169	10.4
99.04467	6.2
105.07020	40.6
106.07338	2.3
107.04945	10.5
107.08580	34.0
109.02866	14.7
109.06512	6.9
109.10142	27.3
111.04413	22.2
111.08054	14.6
117.07002	15.3
119.07765	3.8
119.08568	36.5
121.06522	5.3
121.10132	28.5
123.04395	4.9
123.08038	6.1
123.11714	12.4
125.05983	2.7
125.09615	6.3
127.03892	9.1
128.06201	4.0
129.05513	10.0
129.06984	19.7
131.08537	27.9
133.06468	4.1
133.10115	23.7
135.08058	3.6
135.11665	20.3
137.05969	2.4
137.13176	2.1
141.07014	3.8
143.08504	6.6
145.06430	4.6
145.10126	19.9
147.04454	2.8
147.08000	6.3
147.11653	25.5
149.05983	2.9
149.09605	7.5
149.13231	7.5
151.07581	2.9
153.09073	2.3
153.12730	7.9
155.08554	5.9
157.10104	17.2
159.11676	7.5
161.09789	2.8
161.13333	3.8
163.11163	11.9
163.14902	3.0
165.12724	4.9
167.08647	3.1
169.10080	3.2
171.07896	2.1
171.11612	4.0
173.13255	8.4
175.11223	13.0
175.14813	3.6
181.10033	3.3
181.12224	9.4
183.11685	3.5
185.09508	3.1
185.13254	4.8
187.14778	4.1
189.11214	2.6
191.10637	9.3
193.12221	37.3
195.11710	2.6
197.13275	3.8
209.11607	4.4
211.13245	47.4
211.15166	2.9
213.12686	2.6
227.12741	16.1
229.14313	5.7
243.21245	2.0
247.95300	1.9
259.20636	3.8
261.22122	10.8
263.23596	2.7
267.15881	17.2
277.21402	2.2
283.15350	7.1
285.16864	21.3
285.21997	2.6
315.97552	2.1
335.25824	30.9
337.27158	11.0
353.15872	3.3
369.24179	7.3
387.25153	3.8
405.26251	2.5
427.19608	3.4
429.20929	7.2
433.73428	2.2
453.33401	2.6
461.29041	4.8
479.29947	3.5
527.37256	13.6
545.38110	31.7
546.38379	2.4
563.39270	3.6
569.38031	3.2
579.35785	2.8
615.38287	2.9
633.37195	2.8
635.39117	3.6
653.40778	5.0
671.40784	7.3
689.42035	15.0
707.42633	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01862	12.5
55.05504	25.3
57.03172	1.9
57.03429	22.3
57.07045	2.9
59.04985	2.8
61.02927	7.6
65.03926	2.7
66.02081	1.7
67.05497	41.6
69.03419	6.9
69.07059	12.6
69.19505	6.8
69.19936	8.7
71.01330	1.3
71.04981	4.0
73.02903	5.1
79.05051	2.5
79.05484	39.0
80.06255	1.4
81.03407	74.1
81.07047	35.9
82.04181	3.6
83.04974	21.4
83.08613	28.2
83.52566	1.4
84.02103	1.6
84.05743	1.8
85.02893	27.4
85.06525	3.4
86.09691	1.4
91.03922	2.0
91.05469	44.1
93.06454	2.1
93.07030	30.4
95.04954	34.5
95.08589	14.9
96.05754	1.3
97.02893	8.8
97.06510	10.1
97.10165	15.9
98.07284	4.4
99.08110	2.2
105.07011	26.2
107.04951	11.1
107.08575	19.8
109.06494	5.2
109.10139	14.5
111.04437	5.1
111.08073	15.3
113.05991	1.3
115.05447	1.9
116.04678	8.9
117.06981	4.4
119.08569	21.9
121.06503	5.2
121.10129	12.4
123.08058	7.6
123.11703	1.9
125.09615	16.1
129.05469	27.4
129.06963	14.8
131.08553	14.7
133.06474	3.6
133.10120	15.9
135.08057	3.3
135.11662	7.1
137.09583	4.1
139.07571	1.3
142.07780	3.1
143.07004	5.7
143.10629	2.0
145.10106	7.0
147.08066	4.1
147.11671	17.0
149.09607	10.0
151.11069	1.7
153.09064	2.1
153.12743	4.8
157.08592	11.1
157.10091	15.9
163.11148	13.5
164.11902	1.6
165.12709	2.6
171.06497	2.3
171.10233	2.7
173.09573	2.6
173.11746	5.5
175.11180	22.3
176.08569	1.3
181.12225	4.9
184.07309	3.0
189.11185	8.3
191.10608	4.6
192.11530	1.8
193.12227	73.7
199.13278	15.5
209.11708	12.3
210.12547	1.6
211.13263	100.0
212.13501	2.5
227.12720	15.7
229.14349	4.1
247.13354	4.6
249.14769	1.7
251.93036	1.5
255.15904	3.4
267.15894	30.9
283.15369	13.4
284.16092	2.1
285.16922	66.2
301.16422	73.0
302.16663	1.5
311.18390	1.5
382.26993	1.2
409.26031	2.8
421.25909	1.6
427.26804	3.8
439.26831	11.6
447.27554	2.1
450.78864	1.4
453.27814	1.5
459.27200	3.5
461.28848	1.3
475.26694	4.3
476.27393	2.5
477.28217	4.4
479.29834	1.7
493.27911	25.3
494.28586	6.0
511.28922	65.4
581.29553	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	708.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
51.19999	1.2
53.03934	4.4
55.01844	4.3
55.05504	19.7
57.03433	14.3
59.04992	1.3
61.02905	4.6
65.03912	3.7
67.05495	59.3
68.05830	1.6
69.03406	4.1
69.07063	11.5
70.69155	3.9
71.04980	23.4
79.05042	2.4
79.05480	35.4
81.03405	55.9
81.07043	100.0
82.07379	1.7
83.04975	13.3
83.08607	24.7
85.02896	19.3
85.06539	8.1
91.03926	2.1
91.05466	41.7
93.06457	1.7
93.07026	27.6
95.04956	21.8
95.08597	14.2
97.02867	4.5
97.06524	7.3
97.10150	4.7
99.08058	3.1
104.47068	1.2
105.04588	1.2
105.06355	2.2
105.07014	27.6
107.04918	5.6
107.08575	18.0
109.06480	5.4
109.10126	9.6
111.04414	1.8
111.08044	9.7
117.06989	3.8
119.08562	18.9
121.06481	4.1
121.10121	12.9
123.08035	2.8
123.11694	12.7
125.09596	1.5
127.07481	1.5
129.06960	7.9
131.08514	11.6
132.39398	1.3
133.06459	1.4
133.09210	2.3
133.10114	26.5
135.07994	1.7
135.11653	5.0
137.09537	1.4
142.07747	2.4
145.10109	1.6
147.08066	2.1
147.11646	13.0
149.09631	6.3
149.13220	7.7
151.11182	6.0
157.10150	13.9
159.11644	5.3
163.11174	1.8
165.12747	2.9
175.11136	10.7
177.12660	3.1
183.13779	3.3
187.13266	5.1
189.11194	1.7
191.28091	1.3
193.12212	30.2
195.13785	5.6
211.13274	27.4
243.15869	3.1
249.14745	2.5
253.18121	2.0
257.17487	2.0
267.15869	38.6
268.16211	2.2
269.17444	24.9
285.16901	22.3
286.17355	2.4
301.20023	17.3
331.21509	1.2
343.22089	1.2
361.73862	1.2
369.24088	2.2
387.25262	1.5
417.26385	3.1
435.27341	29.4
443.27936	6.9
453.28442	67.9
454.28409	4.2
461.28918	73.9
462.29376	4.3
467.30087	11.9
479.29926	55.4
480.30258	2.7
493.31454	4.8
511.32639	46.5
512.32642	3.8
623.33502	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	708.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01847	0.9
55.05507	8.1
57.03434	9.3
60.86515	0.8
61.02908	1.0
65.03920	1.1
67.05495	26.2
69.07060	7.2
69.43689	7.2
71.04979	2.5
79.05483	16.2
81.03410	44.0
81.07049	36.6
83.04976	5.1
83.08613	14.7
85.02876	1.2
85.06512	1.4
86.09787	0.8
91.04952	1.2
91.05473	15.7
93.07032	23.2
95.04964	14.1
95.08592	9.1
97.02849	1.4
97.06496	3.6
97.10117	1.5
98.21494	2.1
99.08102	1.4
105.07018	8.9
107.04935	3.2
107.08584	12.6
109.06496	3.7
109.10138	2.1
111.04411	1.1
111.08064	7.5
112.98006	0.8
116.94761	0.8
117.06998	2.6
118.21874	0.9
119.08558	6.3
121.06479	2.2
121.10155	9.0
123.11678	1.3
129.06984	3.9
131.08554	7.8
133.06522	1.4
133.10130	8.4
135.11671	3.4
139.11140	1.1
142.07782	1.2
143.08574	0.9
147.07999	1.7
147.11650	5.7
149.09589	2.4
149.13222	11.9
151.11137	1.0
157.10103	5.4
159.11665	7.0
163.11269	1.1
165.12834	1.2
175.11169	4.8
177.12752	2.3
193.12221	13.1
195.13805	4.2
213.14693	1.2
249.14743	1.3
267.15884	52.0
268.16245	1.9
269.17453	49.8
270.17960	1.7
347.56195	0.9
369.24426	1.5
387.24783	1.2
395.79175	0.9
435.27197	4.1
443.27704	3.0
461.28943	100.0
462.29465	5.6
479.29883	3.3
503.30008	1.0
523.42529	0.9
683.94617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06643	0.8
52.74509	0.7
53.03912	0.8
55.01857	3.4
55.05505	5.5
57.03410	0.9
58.61348	0.8
65.03925	12.4
67.05490	18.4
68.99768	1.7
69.03418	13.2
69.07458	0.8
71.53247	1.6
83.04963	61.6
85.02886	21.9
87.04445	2.3
89.03909	1.7
93.03387	38.1
95.04956	6.0
97.02839	1.1
99.00793	10.9
107.04935	4.8
111.04418	100.0
113.02353	1.1
115.03908	2.3
117.01833	8.2
117.03379	1.9
121.02838	17.8
123.04411	9.5
129.05452	49.5
135.04378	12.6
137.02318	2.5
139.03873	73.1
145.02794	2.0
147.04367	4.3
147.06519	1.2
153.07001	1.8
157.04929	69.0
159.54781	0.8
163.03874	33.1
164.04230	1.5
167.08521	1.0
175.05988	58.6
176.06242	1.8
177.06973	3.2
181.06380	4.5
187.03864	1.1
189.05415	1.0
195.08067	1.9
199.07495	2.5
203.03410	5.1
205.06444	12.2
209.06004	1.2
217.06850	0.9
223.07446	13.1
227.07111	1.6
233.05946	11.0
234.06651	1.5
237.05421	1.0
241.08502	1.6
245.07985	5.0
250.06143	1.2
251.06992	29.7
255.06526	3.7
261.05435	6.6
263.07104	2.1
269.08008	19.2
273.06000	27.7
279.06464	48.0
280.06848	2.3
281.07819	1.0
283.05948	3.6
289.04837	1.5
297.07516	53.0
298.07953	0.8
307.05923	13.5
308.06705	0.9
325.07001	40.6
337.09143	1.6
343.08066	8.0
419.97375	0.9
447.11417	6.6
486.99570	0.8
499.12271	23.6
500.12268	1.0
517.13452	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	709.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01863	0.8
55.05501	1.4
56.66627	0.3
63.02383	0.5
63.57663	0.2
65.03937	2.0
67.05169	0.4
67.05494	3.8
68.99764	0.4
69.03417	2.8
71.51792	0.6
75.20448	0.3
78.31505	0.3
79.05469	0.7
83.04478	0.6
83.04974	11.0
85.02898	3.4
87.04453	0.4
89.03905	5.1
93.03393	6.8
95.04967	1.8
95.64756	0.3
99.00803	1.4
107.04929	2.2
111.04432	18.5
113.93140	0.3
117.01849	0.8
117.03371	6.3
121.02850	3.3
123.04404	2.2
129.05463	8.5
135.04401	17.6
136.82991	0.3
137.02324	0.7
139.03883	11.4
145.02832	9.5
145.03987	0.5
147.04298	0.3
157.04950	10.2
163.03885	100.0
164.04175	1.4
175.06006	8.0
177.06993	0.6
181.06441	0.6
195.08070	0.7
199.07671	0.5
203.03362	0.5
205.06404	3.2
209.05998	0.3
223.07547	2.5
233.05981	2.6
234.06651	0.3
237.05482	0.3
237.41989	0.3
240.25151	0.3
245.08109	0.5
251.07028	6.8
255.06436	0.5
261.05392	1.4
269.08017	4.4
273.06039	4.3
279.06497	12.1
283.05994	0.8
289.05176	0.4
297.07513	11.1
298.08044	0.3
307.05957	3.5
319.08081	0.8
325.07013	9.2
337.09109	0.9
343.08066	1.8
355.10126	0.7
447.11337	2.4
458.47092	0.3
499.12296	5.1
517.13019	0.4
635.29541	0.4
668.71887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.2
53.03930	1.6
55.01850	3.6
55.05503	5.3
57.03419	1.0
65.03637	1.3
65.03933	13.8
67.05161	1.5
67.05495	21.1
68.99794	2.4
69.03075	1.2
69.03422	16.3
69.37534	3.2
69.37960	5.9
71.01330	1.5
75.95327	0.9
81.03407	1.5
83.04969	58.9
85.02892	17.2
87.00824	1.0
87.04464	1.7
88.95193	1.0
89.03889	1.7
91.94986	0.9
93.02805	1.5
93.03391	26.1
95.04955	24.7
97.02843	1.5
99.00798	20.7
101.05993	1.4
107.04931	4.6
111.04426	100.0
112.04734	1.2
113.02400	1.4
115.03911	3.0
117.01809	4.8
117.03347	1.6
121.02834	11.3
123.04420	10.0
129.05458	40.9
135.04398	11.1
136.05122	0.9
137.02312	3.6
139.03879	43.9
145.02818	3.9
145.08005	0.9
147.04405	2.4
147.06502	3.3
153.06912	2.0
157.04932	39.1
157.06245	2.0
163.03880	43.9
164.04184	1.4
171.50903	1.1
175.03835	1.7
175.04333	1.4
175.05997	18.0
176.06216	1.3
177.06970	3.4
181.06445	4.8
187.03896	1.9
195.08090	2.4
197.05815	1.1
199.07513	2.8
203.03352	2.2
205.06470	14.5
206.87469	0.9
209.04279	1.1
209.05995	1.5
223.07506	13.0
224.48732	1.0
227.05319	5.4
233.04120	1.0
233.05980	11.7
237.05417	1.5
245.08049	4.1
249.84398	0.9
250.66080	1.0
251.07027	30.0
255.06635	2.4
261.05362	5.3
263.07043	1.2
269.08038	19.6
273.06021	31.9
279.06476	51.3
280.06888	2.2
281.19443	0.9
283.05997	4.1
291.06985	2.6
295.06012	1.1
297.07526	43.8
297.10880	2.3
298.07825	1.4
307.05984	13.6
323.49393	1.0
325.06995	33.0
337.09207	1.9
343.07977	6.5
401.10690	5.0
429.10309	7.1
447.11279	86.6
448.11554	3.7
499.12372	17.1
517.13165	2.6
545.03729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39204	0.9
53.52142	1.0
56.25718	1.3
65.79314	1.2
69.60908	6.9
72.04942	1.0
93.07037	1.7
94.06583	2.0
95.07338	1.3
96.08131	4.4
98.20802	1.5
108.08096	4.2
110.09698	5.9
120.04468	2.8
120.08102	4.9
124.07559	2.0
134.06137	1.2
136.07547	3.5
138.09142	9.5
148.07562	1.1
152.07047	1.3
163.03778	1.6
166.08640	9.5
172.03902	2.2
190.05009	2.8
196.07286	1.2
204.06525	4.5
215.11629	1.4
225.10289	2.2
237.10292	3.9
239.11815	2.4
243.11302	1.4
249.10098	5.7
250.10609	1.3
251.08325	1.2
251.11765	4.2
253.09735	3.3
261.05978	1.2
261.10236	1.4
263.11777	3.2
265.09589	6.2
266.10434	1.2
267.11295	4.5
271.10812	2.3
277.09702	2.4
278.10471	4.3
279.07825	2.7
279.11270	7.4
281.09262	3.0
283.10760	5.8
285.12384	4.0
289.09579	4.6
291.11319	1.7
293.09299	2.3
293.12601	2.0
294.10031	6.0
295.10648	2.7
296.11734	2.2
297.12109	1.9
299.10272	2.9
303.13361	3.9
307.10764	2.8
309.12375	2.2
311.10202	5.0
311.13989	3.6
312.11029	2.6
313.11444	1.5
314.12653	1.7
318.15955	1.3
323.10303	2.0
323.13934	2.7
325.11850	4.4
326.12637	4.4
327.13504	6.9
335.10202	8.7
339.09866	1.7
339.13348	44.6
340.10400	2.0
340.14069	1.9
354.12134	5.5
355.12827	15.7
357.14621	1.7
367.12836	34.3
387.15698	2.4
415.15436	1.9
447.17950	1.3
460.18628	2.4
474.16650	3.9
479.20602	2.3
488.18381	7.2
492.21344	5.7
520.20752	100.0
521.21106	4.7
538.22113	2.7
552.23291	44.3
553.24017	2.9
609.23291	2.1
627.24164	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	709.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.8
55.01845	4.3
55.05503	19.1
57.03423	11.7
59.04978	3.1
65.03927	4.3
67.05497	100.0
69.03420	13.6
69.07058	18.5
70.72918	4.1
70.73267	2.5
71.04984	24.2
79.05482	40.4
81.03409	23.3
81.07050	52.6
83.04982	20.8
83.08610	11.2
85.02866	4.0
85.06517	4.4
86.09688	4.2
91.05465	31.6
93.07032	46.7
94.51762	1.9
95.04935	6.1
95.08596	32.9
95.09203	1.4
97.02872	6.0
97.06506	6.4
97.10134	4.0
99.04433	4.2
105.06991	17.6
107.08570	20.6
109.02853	2.5
109.06517	3.0
109.10145	55.8
111.04430	4.8
117.07004	8.0
119.08562	18.6
121.10144	16.0
123.11681	4.2
124.33125	2.1
125.09611	2.3
127.03945	2.8
129.05458	7.0
129.06993	3.5
131.08551	9.3
133.10135	13.4
135.07985	2.8
135.11684	19.0
137.09587	13.1
143.08527	3.3
145.10136	10.2
147.11653	6.4
149.09637	2.8
149.13292	2.0
151.11122	2.9
155.10568	2.9
157.10109	4.9
159.11690	3.7
161.13275	4.9
163.11168	7.7
163.14781	2.3
171.11729	2.3
173.04448	5.2
173.11705	16.3
173.13232	4.8
181.12184	3.0
184.07338	7.2
187.13225	3.3
187.32977	1.8
195.13866	2.1
211.13287	3.6
229.14311	7.8
243.15863	2.9
255.15955	9.2
255.23108	4.5
261.22171	3.0
263.23831	2.0
285.17050	2.1
292.88666	1.7
312.73419	1.8
335.25784	26.5
337.27209	3.6
351.22687	3.1
357.24442	2.1
363.25494	2.3
369.24265	3.6
387.25702	3.4
399.20306	2.4
406.49478	2.0
431.22916	5.3
461.28616	2.8
471.34509	2.2
489.35654	41.6
491.37277	16.8
503.37387	4.0
515.37225	10.7
547.40082	24.0
659.41138	8.8
677.42365	3.1
691.44061	8.6
709.45648	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75357	2.2
54.35879	2.5
55.05496	8.1
57.01705	2.2
65.03928	7.8
67.05492	16.4
68.99771	2.9
69.03426	16.2
71.53207	4.2
83.04966	66.0
85.02893	21.6
87.04447	2.3
87.36324	2.2
89.03905	5.7
90.80589	2.2
91.05458	9.5
93.03394	25.8
95.04956	18.0
99.00803	19.7
107.04944	12.8
111.04428	97.4
112.04796	3.4
115.03976	2.4
117.01841	6.7
117.03342	5.2
119.04923	19.5
121.02863	16.2
123.04425	4.8
124.04790	2.6
129.05458	46.8
135.04367	15.3
139.03889	55.7
140.04218	4.4
145.02843	10.7
147.04384	100.0
147.06325	4.4
157.04938	48.9
163.03873	89.3
164.04222	9.4
175.06021	37.1
183.08119	4.5
203.09662	2.6
205.06387	2.5
207.08086	8.4
224.07901	3.5
227.05482	3.3
229.08588	8.3
233.06105	2.8
234.06319	3.0
235.07539	15.2
251.07014	8.4
252.07396	4.3
253.08562	6.1
263.07019	25.7
270.08224	2.8
273.06003	33.2
274.06412	2.6
277.27493	2.3
279.06393	6.9
280.06741	5.6
281.08044	18.0
283.05841	3.0
291.06577	8.4
297.07492	7.2
298.07739	5.3
309.07449	17.7
321.09610	3.3
325.07104	4.6
326.07281	5.5
327.08621	4.9
337.09216	3.0
339.10794	3.6
429.10376	4.6
447.11288	92.2
448.11429	6.5
483.12836	22.1
500.12204	3.5
501.13626	6.0
564.48383	2.5
611.17462	2.5
706.92444	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	710.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12369	0.1
55.05490	0.3
56.05028	0.6
57.03423	0.3
58.06345	0.2
58.06623	0.5
59.07383	0.1
60.08154	6.0
64.01356	0.1
65.57336	0.1
67.05499	0.9
69.03407	0.1
69.07053	0.2
70.06576	0.2
70.88221	0.3
71.04993	0.1
71.07363	3.2
72.44820	0.1
73.53268	0.1
79.05482	0.7
81.03402	1.4
81.07056	0.8
83.04962	0.4
83.08610	0.5
85.02920	0.3
86.09691	28.4
89.59355	0.1
91.05476	1.0
93.07015	0.5
95.04955	0.6
95.08581	0.4
97.02863	0.2
98.21358	0.1
98.98444	2.8
104.10727	2.4
105.07008	0.7
107.04936	0.2
107.08553	0.2
109.06526	0.2
111.08070	0.1
117.06970	0.2
119.08566	0.5
121.10130	0.3
124.99982	20.2
129.06989	0.4
131.08577	0.3
133.10094	0.4
135.08057	0.1
143.00999	0.3
147.11613	0.3
157.10083	0.4
161.09561	0.1
175.11143	0.4
184.07309	100.0
185.07619	0.6
189.11177	0.1
190.59642	0.1
192.75923	0.1
193.12234	0.7
211.13237	0.6
248.94794	0.1
267.15891	1.5
269.12140	0.2
285.09924	0.3
285.16919	0.8
318.24173	0.1
385.23700	0.2
432.21982	0.1
445.25742	0.2
454.19400	0.1
459.27280	1.0
463.26971	0.2
477.28372	1.2
495.29327	0.5
592.21875	0.2
642.33466	0.2
660.34930	11.0
661.34839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01856	4.0
55.05504	14.3
57.03428	14.0
58.80017	0.9
60.08126	1.1
61.02895	1.2
65.03905	1.9
67.05499	19.7
68.01550	1.0
69.03412	4.5
69.07059	6.6
69.48457	7.2
71.04971	3.9
79.05480	17.9
81.03408	92.2
81.07046	20.3
83.04961	10.3
83.08128	1.3
83.08610	22.0
85.02898	13.3
85.06487	1.2
86.09682	3.0
91.04890	1.5
91.05464	25.9
93.07036	14.5
95.04957	28.3
95.08593	7.1
97.02869	4.2
97.06503	3.3
97.10157	4.8
99.08064	2.0
102.61248	0.9
103.05536	0.9
105.07008	18.9
107.04946	7.6
107.08596	7.8
109.06484	3.8
109.10148	2.8
111.04418	3.0
111.08067	7.8
111.63382	0.9
115.05412	2.0
117.07001	2.7
119.04918	1.9
119.08569	18.6
121.06473	4.3
121.10125	9.7
123.04381	1.0
123.08048	2.2
123.11694	1.2
125.00009	1.5
125.09617	3.7
128.06244	1.0
129.06982	13.3
131.08559	12.6
133.06453	3.8
133.10144	7.9
135.08031	1.6
137.06012	1.5
137.09544	1.7
141.06927	1.0
142.07806	2.3
143.08519	1.3
145.06464	2.9
145.10081	2.7
147.08029	4.5
147.11658	12.8
149.09584	7.8
157.06487	2.2
157.10106	15.9
163.11153	1.5
165.12715	2.7
171.11743	1.6
173.09702	1.0
175.11171	13.5
181.10207	0.9
184.07336	10.4
189.11205	1.2
193.12218	33.0
195.11563	1.1
211.13281	17.7
213.12770	1.0
224.94731	1.0
233.15314	1.5
235.13490	1.0
249.14835	2.8
255.13794	2.7
267.15878	100.0
268.16296	1.6
273.14786	4.3
285.16885	18.0
286.17572	1.3
289.18115	1.0
341.21100	1.3
349.21503	3.6
367.22598	11.1
385.23706	9.0
403.24661	3.3
433.25778	11.2
441.26190	4.4
442.38312	1.0
459.27359	62.7
460.27670	2.3
477.28406	39.2
478.28543	1.5
495.28891	1.8
660.34326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65295	0.4
54.89968	0.4
55.93515	1.9
55.96679	0.4
56.94300	2.5
69.03407	1.9
70.95844	1.2
71.56909	0.9
72.93775	8.6
74.95313	1.0
81.03387	0.8
85.02878	2.1
87.23827	0.6
88.96901	0.6
89.94061	0.6
90.94814	8.2
95.26928	0.4
97.02897	3.1
98.97565	1.0
102.94791	1.6
104.96332	0.9
107.95085	0.6
108.95846	1.3
109.02853	1.2
113.96415	0.8
114.94720	2.2
116.96333	2.6
116.98592	1.1
118.94241	0.7
120.95822	0.8
122.97399	0.7
125.96037	0.4
126.94720	0.5
126.98432	0.4
127.03924	0.6
128.96320	2.2
130.97902	0.6
131.56578	0.5
131.95128	0.5
131.96132	1.4
132.95819	39.9
133.80920	0.5
134.97383	3.3
136.95338	0.9
140.96324	1.2
144.95808	7.2
145.04942	0.8
146.97391	2.7
148.98990	0.7
149.97188	0.8
150.85687	0.5
150.96873	24.6
155.97395	2.3
156.95772	1.6
158.97377	19.4
158.99553	1.0
162.96867	7.9
163.03891	1.4
164.98430	0.8
166.97893	1.5
168.95810	4.6
170.97397	1.3
173.97179	3.9
174.96867	100.0
175.97252	0.6
176.98442	12.7
177.00217	0.7
177.00652	0.8
181.98969	1.1
184.99057	0.4
186.96873	12.7
188.98448	2.4
190.96326	0.9
191.98296	0.6
192.97914	9.9
196.98878	0.6
198.96848	5.8
200.98442	1.5
204.97945	4.8
210.96899	6.7
215.97466	0.5
215.99475	2.8
216.97913	17.0
228.97910	3.6
231.01022	1.2
232.99448	0.6
233.99455	0.5
234.98969	97.8
235.99370	2.2
239.99614	0.7
242.55125	0.5
253.00023	20.4
258.00610	5.0
258.98972	0.6
276.01636	1.1
277.00021	72.3
278.00220	1.2
279.03070	1.4
318.02676	1.2
321.04111	3.8
323.02014	6.7
342.11993	1.1
365.02557	0.6
383.04187	55.2
384.04453	3.1
401.05283	17.2
402.05591	0.6
424.06848	5.4
443.06146	0.7
517.14539	0.8
549.10162	1.9
549.17310	1.6
711.15363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89103	0.4
51.98836	0.4
55.01851	0.4
57.03401	0.9
69.03419	2.2
70.72081	1.3
71.04961	0.7
81.03369	1.4
85.02895	4.1
85.07629	0.9
94.06540	0.7
97.02859	1.8
119.04927	0.6
127.03896	0.7
135.35217	0.4
137.05945	0.4
146.05946	0.4
146.38638	0.4
147.04369	1.5
162.05472	0.4
163.03879	1.4
164.04173	0.7
178.05077	0.5
197.10773	0.9
198.07739	0.5
198.11386	0.9
199.08624	6.4
200.09143	0.6
201.10118	0.6
204.06558	0.5
206.08282	0.7
211.08669	5.9
211.12100	0.9
212.09373	2.4
213.10196	7.2
213.13724	0.5
214.07309	0.9
214.10974	2.2
223.08636	0.4
224.09296	1.1
225.10165	8.7
226.07333	7.8
226.10722	3.0
227.05902	0.9
227.08134	11.2
227.11685	4.0
228.08653	0.5
233.29662	0.5
233.74371	0.4
237.10123	0.8
239.08090	0.5
239.11723	5.1
240.08931	2.0
240.12506	3.2
241.09685	10.7
241.13431	1.3
242.10451	8.4
242.14085	0.8
243.11076	0.5
251.11742	0.8
253.09673	5.6
254.10355	2.1
255.11243	8.2
256.11993	0.5
257.12802	14.0
258.12943	0.5
265.09610	0.6
267.08157	0.6
267.11270	8.2
268.08514	1.5
268.11993	8.5
269.09521	2.0
269.12634	2.6
271.10776	1.2
273.12280	0.8
279.11221	0.5
280.12054	1.6
281.09171	1.5
283.10648	1.1
284.11456	0.9
285.12167	3.8
286.09451	1.4
286.12970	1.1
295.10715	5.9
296.06848	0.4
296.07626	0.4
296.11520	8.5
297.12219	3.3
298.13034	1.1
299.10199	1.7
300.10968	0.9
313.11777	25.8
314.12515	11.3
315.13242	0.9
319.04242	0.5
323.10193	1.4
324.10999	1.1
337.11279	0.5
341.11230	4.5
342.12042	43.7
343.12506	1.5
345.14297	0.5
348.07434	0.5
355.12836	1.4
356.13605	0.8
359.12445	0.9
373.13965	5.5
374.14334	3.7
383.12308	0.8
387.11737	1.1
401.09277	1.8
401.13989	0.6
411.11813	1.1
417.13000	1.2
429.13025	2.0
433.16171	1.1
443.14603	3.2
455.14670	1.3
457.12268	5.3
471.13702	3.6
473.15564	2.4
475.13336	0.8
489.14948	15.8
490.15265	0.9
499.13342	1.7
517.14471	60.2
518.14636	2.2
531.16296	1.5
549.17072	100.0
550.17352	6.4
589.89008	0.5
606.52734	0.4
675.26984	0.6
693.27795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.70062	0.8
55.01847	2.0
55.05503	14.2
57.03428	19.0
57.07065	2.4
61.02915	2.3
62.59208	0.9
65.03937	1.7
67.05494	53.8
69.03423	1.5
69.07058	14.5
69.45057	1.7
69.45457	5.7
71.01335	3.0
71.04977	3.7
79.05484	41.5
81.03403	4.6
81.07045	40.5
82.07371	1.8
83.04964	9.6
83.08618	6.3
85.02908	3.3
85.06530	2.2
91.03931	1.6
91.05468	22.4
91.06001	1.6
92.05785	0.9
93.07030	52.8
95.04954	4.2
95.08595	28.2
97.06510	10.4
97.10157	9.7
98.20773	2.0
99.04468	0.8
99.08093	2.6
105.04492	1.3
105.07016	13.6
107.04935	1.8
107.08581	36.1
108.08927	1.0
109.06474	1.0
109.10142	12.9
111.08059	2.0
117.07021	4.7
119.08579	11.5
121.06493	1.3
121.10132	15.5
123.11674	3.4
125.09593	1.3
129.06995	1.4
131.08527	6.7
133.10127	8.6
134.10492	1.0
135.08078	1.2
135.11668	39.3
137.09593	1.8
140.59552	1.0
145.10106	11.9
147.11676	3.2
149.13205	4.0
151.11174	0.9
153.12730	5.1
159.11684	3.1
161.13243	3.1
163.11133	5.6
163.14825	2.1
173.13202	3.2
181.12221	12.7
184.07324	1.5
187.14877	1.7
189.16447	0.9
199.13269	2.2
201.16393	1.0
233.22479	1.1
243.21014	4.2
253.14331	3.6
255.15874	100.0
256.16187	3.1
261.22104	11.3
290.21390	1.0
317.24686	1.8
335.25754	52.6
336.26221	4.9
366.74744	0.9
423.32266	1.8
441.33545	1.6
442.62543	0.8
450.92441	0.8
484.22394	0.9
515.37250	81.1
516.37390	8.2
533.38409	1.8
550.83984	0.9
671.06317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.4
56.05014	2.0
57.07065	3.0
59.64824	1.4
60.04516	2.1
67.05488	11.6
69.03402	2.2
69.07047	6.3
70.06578	1.7
71.08620	2.1
71.54999	2.3
79.05486	9.8
80.03448	1.3
80.04979	4.2
80.77883	1.5
81.07045	10.2
82.06587	7.4
83.08603	4.3
83.74380	1.4
85.02892	2.4
91.05465	15.6
93.07044	10.5
94.06551	24.6
95.04929	2.2
95.07361	7.2
95.07915	1.2
95.08591	8.0
96.08110	2.8
97.02865	1.6
97.10145	1.9
105.07011	13.3
106.06526	3.6
107.07419	1.6
107.08565	5.8
108.08082	10.7
108.23736	1.6
109.10132	4.1
115.05474	1.6
117.06998	7.8
119.08564	10.8
120.08051	3.3
121.10126	3.8
121.57255	1.6
122.09633	5.3
131.08536	10.7
132.08043	1.9
133.08870	2.0
133.10135	5.7
134.09616	6.4
135.11615	2.3
145.10127	4.7
147.10443	2.9
147.11569	2.1
148.11192	4.0
159.11684	1.9
161.13228	1.8
168.30772	1.3
173.13332	1.7
200.96371	1.5
203.17900	1.5
231.21004	9.5
234.54144	1.3
242.46571	1.3
243.21040	7.6
248.23759	10.3
254.24890	1.8
260.23715	100.0
261.24130	3.1
262.25000	1.5
272.25732	3.0
278.24741	7.4
278.27658	1.4
350.38477	1.6
502.45892	5.1
514.46143	6.9
516.47693	5.5
532.47107	20.0
694.52020	3.9
723.05322	1.5
725.81384	1.8
742.87585	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	713.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
55.67516	0.7
57.03438	1.7
60.59722	0.7
61.02918	5.3
67.05493	5.9
69.03429	3.5
69.07060	2.2
69.22183	4.1
69.22614	4.4
71.04976	3.8
73.02914	3.4
79.05473	3.8
81.03422	3.6
81.07047	6.7
83.08597	1.0
84.08356	0.8
85.02898	5.9
87.63752	0.8
88.65258	0.7
89.05340	0.8
91.03938	2.5
91.05453	5.0
93.07053	3.6
95.04963	1.2
95.08631	2.5
97.02890	5.1
97.06499	1.4
99.04434	1.2
100.75294	0.8
101.02393	2.1
104.10004	0.7
105.07040	3.0
107.08601	2.0
107.66798	0.8
109.10178	1.4
111.08051	1.0
117.06986	1.2
117.54128	0.8
119.08595	1.4
121.10158	1.3
127.03954	1.3
131.08611	1.0
133.10159	2.5
157.10083	1.0
163.11180	0.8
166.13811	0.8
183.14009	1.0
193.12299	1.0
243.08488	3.6
243.10835	0.9
251.12518	0.9
267.15860	0.9
283.06342	2.5
283.15100	0.9
453.21130	3.0
469.20255	4.0
485.23239	7.1
501.23431	2.4
551.88275	0.9
554.46423	1.0
713.37177	100.0
714.37543	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	714.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21435	0.7
53.03929	1.1
61.02905	0.9
69.03416	5.2
69.25049	4.4
69.25476	4.4
72.82518	1.0
79.05476	1.3
81.03407	2.4
85.02901	6.6
87.04424	1.0
90.81932	0.8
91.05464	1.4
93.05785	0.9
93.07059	2.3
94.06538	4.1
95.07320	0.9
95.74567	0.7
96.08123	2.6
97.02881	2.1
98.20685	1.3
99.04428	1.0
104.20673	0.8
107.07318	2.3
108.08095	7.2
109.02848	1.0
110.09679	6.7
118.06532	1.0
120.04465	1.8
120.08081	6.6
122.06037	9.1
122.09637	4.5
124.07604	0.8
127.03904	1.1
134.06039	1.0
136.07574	10.5
138.05450	1.0
138.09125	9.2
141.75909	0.9
146.05925	1.6
148.07585	6.2
150.09119	8.4
151.09566	0.8
152.07036	2.2
162.09229	0.9
164.07069	1.8
166.08620	24.3
172.03885	1.3
176.10716	0.9
180.10199	0.9
184.09947	1.1
194.08096	1.8
197.10773	1.3
209.10693	1.1
212.09387	1.1
221.10698	1.6
223.08627	1.3
223.12292	1.4
224.09502	1.5
225.10236	3.1
225.38412	0.8
226.11092	1.3
227.11829	3.0
233.10814	1.3
235.08626	2.2
235.12198	1.6
236.09412	2.3
237.10199	12.4
238.10852	1.9
239.08087	1.9
239.11723	6.1
241.09692	1.2
248.09366	2.0
249.10213	10.2
250.10876	4.5
251.08107	3.7
251.11751	12.5
252.08685	1.1
252.12506	2.5
253.09700	8.7
255.11394	4.1
256.49695	0.9
261.10229	7.6
262.10971	2.1
263.08130	0.9
263.09131	1.2
263.11777	9.6
264.08923	2.0
265.09692	18.2
265.12738	1.5
266.10403	2.5
267.11304	10.4
268.11893	1.3
269.12885	1.0
271.10693	2.4
273.12369	1.0
276.08682	0.9
277.09683	3.8
278.06747	1.6
278.10492	7.2
279.07657	4.7
279.11270	21.7
280.08655	1.0
280.11996	4.7
281.09232	4.3
281.12833	3.1
282.09866	2.0
283.10846	9.8
285.12350	2.0
287.14075	1.0
289.09665	16.2
290.10333	2.7
291.11166	6.1
293.09155	7.0
293.12799	6.0
294.09891	4.4
295.10846	7.0
296.11456	3.8
297.12280	4.3
299.10242	2.0
306.09985	1.1
307.10745	6.7
308.11487	3.1
309.12213	7.2
310.12878	1.4
311.10239	7.3
311.13898	4.3
312.11005	3.9
313.11813	3.1
314.12634	2.3
317.09167	1.5
321.12311	1.9
323.10287	1.7
323.13931	3.0
324.11075	3.7
325.11725	6.9
326.12695	4.4
327.13324	8.3
328.14047	1.1
335.10214	24.5
336.10699	1.4
337.11667	4.4
339.10031	2.5
339.13358	63.1
340.10333	5.1
340.13818	2.0
341.11270	6.3
341.14987	2.2
352.10556	2.3
353.11337	12.8
354.12057	6.2
355.12866	21.5
367.12860	52.5
368.13297	2.1
370.15552	1.0
384.17926	1.1
386.18976	1.1
399.15308	1.0
428.15335	0.9
432.19064	2.2
442.17679	2.2
444.19427	1.0
460.18701	5.4
470.17230	1.0
472.18585	2.0
474.20361	1.4
478.19504	2.6
488.11041	1.8
488.18124	33.8
489.18640	1.4
492.21402	1.8
502.19315	1.9
506.19180	24.2
507.19833	1.2
520.12933	2.0
520.20764	39.7
521.20898	1.3
534.18732	2.2
538.21771	1.1
548.19745	1.0
622.23822	2.7
632.22144	2.0
650.23413	17.6
653.78674	0.9
654.26239	2.0
664.24774	3.0
682.25952	100.0
683.26495	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	714.55
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01873	0.8
55.05500	6.2
56.05019	3.2
57.07064	2.2
60.04500	3.0
61.61013	0.8
67.05495	12.4
68.05008	1.7
69.03418	1.5
69.07064	8.7
69.39777	2.2
69.40182	6.3
70.06573	2.0
71.08607	2.0
79.05486	8.9
80.05010	2.4
81.05789	1.9
81.07043	11.8
82.06570	7.7
83.08600	4.8
85.02894	1.6
91.05464	8.1
93.07035	9.5
94.06552	19.9
95.04963	1.6
95.07343	12.2
95.08582	7.7
96.08117	5.8
97.10157	1.3
98.20805	1.9
105.07008	6.5
107.08575	5.1
108.08105	2.6
109.10161	3.5
111.11713	0.9
119.08568	5.3
121.08883	0.8
121.10134	6.3
122.09633	2.5
124.11266	1.0
133.10083	4.2
135.10629	1.0
135.11676	3.2
151.97969	0.9
161.13248	1.0
174.75458	0.8
211.64017	0.8
233.22656	4.5
237.88322	1.0
245.22665	4.5
250.25208	6.7
254.24763	1.3
262.25266	100.0
263.25525	2.8
272.25772	6.5
280.26300	7.7
299.92056	0.8
303.50314	0.9
312.11829	0.8
312.25305	0.9
362.19595	0.9
418.71918	0.8
432.64392	1.0
504.47922	4.2
516.47711	30.8
517.48016	2.3
518.49188	4.0
534.48694	17.9
535.48322	1.0
696.54041	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	716.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
54.09218	0.3
55.01873	1.6
67.05494	0.3
69.03412	0.8
70.47782	0.4
70.48121	1.2
73.02929	0.4
78.33746	0.3
81.03404	0.6
85.02894	3.6
91.05470	0.4
93.03394	0.5
93.58231	0.3
95.04970	0.6
95.77112	0.4
97.02870	1.2
98.20774	0.4
103.05456	30.4
104.05789	0.3
104.83447	0.4
109.02821	0.4
111.04447	0.7
116.98618	0.4
117.07032	0.5
125.05991	1.0
127.03927	0.8
131.04913	100.0
132.05283	1.0
137.05981	4.9
138.05524	0.4
143.04941	0.6
145.04958	1.3
145.06491	0.9
147.04404	0.6
153.05455	4.8
160.05159	0.5
162.07536	0.7
163.03882	1.3
163.07527	60.3
164.07893	0.8
173.01726	0.3
175.07529	1.0
177.09039	1.0
179.06964	0.4
180.08664	0.7
183.91273	0.3
191.07016	2.5
203.07004	7.2
205.08586	2.4
220.32077	0.4
221.08099	1.6
223.09683	1.1
233.08067	2.2
277.08521	0.3
327.12051	0.3
345.13226	0.5
357.03799	0.6
357.13309	1.0
403.04276	1.3
413.02902	1.1
431.03867	1.1
458.75928	0.4
595.95135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.0
53.50518	2.7
55.01853	8.3
55.05307	3.2
55.05507	37.3
57.03416	10.2
63.76866	3.0
65.03910	8.5
67.05495	100.0
69.03416	22.8
69.07053	24.9
70.56162	3.1
71.04964	9.9
71.53885	5.2
79.05482	93.4
81.03405	69.4
81.07047	97.4
83.04974	22.3
83.08596	11.3
85.02870	12.3
91.05468	74.9
93.06464	5.1
93.07033	73.6
95.04954	31.1
95.08589	47.4
97.02876	22.5
97.06506	9.4
97.10151	5.3
98.91741	3.0
99.04442	11.1
103.05437	5.2
105.07016	72.4
107.04935	16.4
107.08569	35.1
109.02871	9.6
109.06484	13.1
109.10143	22.5
111.04392	5.7
111.08038	5.4
115.05463	6.2
117.07020	27.5
119.08559	49.3
121.06493	11.0
121.10100	18.9
123.08041	11.7
123.11664	8.2
125.09595	4.7
127.03852	18.2
128.06200	6.8
129.06976	31.2
130.07805	4.0
131.04893	4.0
131.08549	33.9
133.06456	5.5
133.10107	36.4
134.10414	3.6
135.07988	10.3
135.11659	12.9
137.09631	3.4
139.03934	4.5
140.57771	3.6
141.07039	3.4
142.07719	3.3
143.08609	16.2
145.06494	4.6
145.10091	26.4
147.07980	5.3
147.11676	43.5
149.09541	8.0
149.13254	6.3
151.11156	3.6
155.08481	7.5
157.10074	11.7
159.11678	16.8
161.09610	11.4
161.13196	15.8
163.11165	7.7
167.08504	5.5
169.10123	3.4
171.11633	26.6
173.04439	20.7
173.09634	4.4
173.11868	3.4
173.13263	9.2
175.11038	3.2
177.12651	7.2
181.10095	6.2
183.11655	5.8
184.07248	6.5
185.13235	6.6
187.11142	5.5
188.71413	3.3
189.12740	14.3
191.14273	3.9
199.05977	3.3
205.43532	3.1
207.13737	19.8
222.58603	3.4
229.19470	3.9
247.20549	5.2
253.14400	5.7
254.14703	3.8
257.18903	17.4
275.20053	55.4
281.17447	35.2
287.16437	4.2
293.21271	4.2
336.51920	3.1
349.23676	11.9
419.24042	4.3
475.30826	7.3
493.27811	5.1
520.33386	5.1
537.35547	8.3
555.36786	41.6
573.37341	3.8
597.37213	4.4
619.34503	7.8
699.41180	7.3
717.42285	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01851	0.4
65.03950	0.5
66.04680	0.5
67.05473	0.7
79.05478	1.7
81.03399	0.9
81.07043	1.0
85.02872	1.9
89.37337	0.4
91.05453	5.2
93.07028	1.5
94.04167	1.9
95.04980	0.8
97.02847	0.5
103.05458	6.3
105.06994	1.7
105.15562	0.3
107.04910	2.3
107.08580	1.0
108.05726	0.6
109.06489	2.1
112.28762	0.4
115.05435	1.5
117.06999	1.8
119.04948	2.2
119.08556	0.7
121.06490	2.6
122.03625	6.1
123.04433	0.5
123.08054	2.0
128.06200	0.6
129.06972	2.4
131.04910	13.3
131.08543	1.2
133.06451	1.1
135.08031	1.8
137.05956	100.0
138.06296	1.8
141.22774	0.4
143.04904	1.6
145.06470	1.6
146.03580	1.4
146.07230	0.5
147.04382	0.8
147.08028	1.0
148.05125	0.6
149.05907	1.9
151.03946	0.9
151.07515	24.9
157.06433	1.9
159.08017	0.8
160.05197	0.6
161.05960	20.0
161.09560	3.5
162.06464	0.7
163.07515	32.7
164.07950	0.7
165.05646	0.4
165.07019	1.1
165.09114	1.9
166.07803	0.6
169.06523	0.5
173.88559	0.4
174.06731	2.3
175.07515	7.6
176.07883	0.4
177.09067	13.1
179.07042	0.7
179.08517	1.3
181.06447	0.9
187.07515	1.4
189.09090	9.3
190.07851	0.6
191.07097	0.4
191.08571	1.6
191.10373	0.5
193.06433	1.1
193.08525	0.5
194.07228	1.2
195.08299	1.0
195.10121	14.2
201.09074	1.0
205.06462	1.8
205.08537	1.0
205.10222	0.8
206.07274	0.6
207.08061	1.5
207.10071	9.6
209.09659	1.0
210.06677	0.6
211.07425	0.9
213.09081	0.8
218.07228	0.8
219.08040	2.6
219.10159	9.9
221.05986	1.6
221.09592	1.0
221.11699	2.1
222.06726	1.9
224.08292	1.7
225.09117	1.8
227.10649	0.6
229.92249	0.5
229.94437	0.7
233.05898	0.9
233.09595	1.1
234.06729	1.1
235.07439	2.1
236.08287	1.1
237.05496	0.4
237.09023	3.2
238.06242	0.5
238.09758	0.6
239.07028	1.1
239.10703	0.9
240.07910	0.5
241.08522	1.2
245.09619	0.6
246.06729	0.4
247.07507	1.2
249.05482	0.4
249.09064	2.8
250.06258	0.8
251.07002	1.6
251.10678	1.9
252.07848	1.2
253.08582	2.7
253.12358	0.5
254.09308	0.5
255.06509	0.7
255.10052	0.8
261.09064	0.7
262.06271	0.8
263.07053	0.7
264.07706	1.1
265.08572	10.1
265.11685	0.4
266.09341	1.7
267.09967	3.1
268.07312	0.6
269.08029	1.4
269.11584	0.5
277.08548	4.6
277.11896	0.6
277.12347	0.5
278.09033	0.6
279.10123	5.9
280.10706	1.1
281.08203	0.9
281.11716	1.0
282.08823	0.8
283.09549	3.9
284.10403	1.1
285.11252	7.0
287.12753	0.8
291.10114	1.4
291.13376	0.5
293.11642	1.1
294.09186	0.5
295.09564	1.4
296.10410	1.1
297.11169	18.0
298.11771	0.9
299.12805	3.1
305.11694	1.0
309.11261	4.9
310.11911	0.7
311.12726	21.7
312.13098	0.9
313.14377	1.4
317.13971	3.6
323.12695	2.5
325.14270	1.4
327.12280	1.6
329.13763	0.6
337.14224	1.6
341.13730	1.5
343.15347	15.3
344.15851	0.6
355.15308	4.3
357.16699	1.2
367.15527	1.3
369.16797	2.1
403.14639	0.5
429.17062	0.8
435.17981	0.5
445.16263	0.7
447.18155	0.7
459.18042	1.7
461.19540	10.5
462.19876	0.5
473.19547	1.2
475.21103	0.8
479.20621	21.7
480.20825	1.2
491.20596	20.9
492.20715	0.6
493.22165	15.8
494.22461	0.9
503.20422	1.2
509.21500	6.3
718.46124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37896	0.4
61.02879	0.5
69.03394	1.6
70.61202	1.7
73.02880	0.7
79.05481	0.6
81.03375	0.8
82.99851	1.2
85.02896	3.3
89.03915	2.7
94.99854	0.5
95.02010	0.5
95.04968	2.5
97.02866	1.2
98.97528	1.0
101.00855	4.9
105.00338	0.6
107.04924	1.3
109.02857	1.5
111.04411	1.1
113.00831	0.6
115.02369	0.5
117.03359	3.0
119.01900	15.8
121.02769	0.9
127.02361	1.5
127.03880	1.0
131.01877	5.8
133.03406	1.5
135.04399	8.6
137.01932	0.6
137.02893	2.3
139.02396	1.1
139.03868	0.6
143.01878	10.5
145.02684	4.3
145.03448	7.7
146.02306	0.6
147.01430	1.0
149.02907	1.1
153.03972	0.5
153.05315	0.5
155.01855	9.8
157.03459	5.4
158.99596	1.1
161.01443	0.7
161.02928	16.8
163.03868	83.3
164.04243	1.5
167.01883	4.6
169.03468	4.3
170.99634	0.8
171.01265	0.7
171.05023	3.5
173.02937	21.0
174.03139	1.0
175.04494	1.4
177.00766	0.9
179.01915	1.7
181.03413	1.8
182.03432	0.6
184.04466	1.0
185.01085	1.6
185.02925	30.8
186.03088	1.0
187.04509	5.9
189.00612	1.0
191.03893	2.2
193.03394	1.5
195.04968	1.1
196.04507	0.7
197.02927	13.2
199.04553	1.3
200.04401	1.4
201.00711	0.8
202.54572	0.5
203.01962	2.1
203.03984	9.3
208.04420	0.7
209.02940	2.5
211.04465	1.2
213.06036	1.4
215.02029	0.8
215.03975	9.4
219.01718	1.2
219.05025	0.6
221.02934	43.5
221.04980	4.5
222.03102	2.1
223.04501	0.9
227.03960	6.0
233.05112	0.9
237.02670	1.0
239.03963	14.0
239.06145	3.4
240.04276	0.6
243.01665	0.7
244.04442	1.5
245.05040	65.3
246.05293	2.1
247.04549	1.5
249.02496	0.6
257.05005	18.7
258.05157	0.8
259.04404	1.6
261.02536	0.5
261.06277	1.0
263.03897	5.3
263.06122	9.5
271.04437	11.6
272.06760	0.7
273.06149	2.6
275.03430	0.9
275.06125	14.6
277.05499	2.1
281.04749	7.3
281.57272	0.9
283.06699	0.6
285.06094	0.7
287.03943	2.9
287.06442	1.7
288.08731	0.5
289.05521	9.0
290.05881	0.6
291.03720	0.7
291.06979	1.3
293.07205	2.3
295.06946	3.7
296.06818	0.6
297.02609	1.0
297.06003	1.5
299.03918	2.9
299.06393	1.6
304.06793	0.6
305.07404	11.3
306.07379	0.7
307.06509	4.0
309.08139	2.1
311.05984	0.7
313.05405	4.1
315.03464	2.0
315.07010	1.6
317.04477	2.4
323.05975	4.1
323.09842	0.8
325.07501	0.7
331.06516	7.0
333.04495	2.9
333.08191	3.9
335.08252	1.9
341.04556	2.5
347.08484	0.9
349.07593	13.5
350.07977	1.0
351.05417	2.4
351.09238	1.6
359.05829	5.7
362.09479	2.9
365.07266	4.7
367.08627	2.9
368.08981	0.8
369.06683	3.1
377.07040	27.3
378.07623	1.0
383.07977	5.1
395.08176	22.7
396.08661	0.8
400.08566	0.6
407.10416	3.2
413.09232	1.6
416.08658	0.8
418.09738	1.5
419.08252	2.4
431.08060	1.0
437.09222	100.0
438.09689	4.6
449.09222	15.3
450.09039	0.6
452.05008	0.6
455.10315	19.3
456.10153	0.6
461.09595	2.4
467.10263	17.4
478.11374	2.3
479.10291	7.5
481.11673	1.3
485.11288	2.0
491.10309	2.2
497.11218	4.8
509.11328	1.2
521.11316	3.2
539.12421	16.7
540.12347	1.0
545.13379	1.9
548.12860	0.7
557.13403	3.4
599.14178	0.9
701.17157	1.4
719.18353	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	720.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01857	2.0
55.05259	0.7
55.05502	8.4
55.25517	0.5
57.03431	7.2
65.03925	1.4
67.05495	22.6
69.03408	2.4
69.07059	5.3
69.17048	0.6
69.80933	3.2
71.04977	2.0
73.06554	1.2
79.05482	32.1
81.03406	38.9
81.07044	19.2
83.04964	6.7
83.08127	1.0
83.08607	11.7
85.02882	0.9
85.06502	1.2
88.29288	0.5
91.05469	26.6
93.07030	32.1
95.04955	19.4
95.08592	10.8
97.00945	0.7
97.02874	2.2
97.06536	2.6
97.10168	2.8
99.08075	0.6
105.04502	1.0
105.07016	22.0
107.04939	6.1
107.08578	9.2
109.06515	4.5
109.10136	2.7
111.04417	1.2
111.08060	5.3
115.05429	1.1
117.07017	5.4
118.72471	0.5
119.04893	0.8
119.08563	14.6
119.31269	0.6
121.06477	2.5
121.10125	4.3
123.08046	3.4
127.07525	0.7
128.06180	0.9
129.06984	11.7
129.07901	1.0
131.08566	5.0
133.06493	2.0
133.10118	6.9
135.08043	0.9
135.11668	1.3
137.09598	1.1
140.15204	0.5
141.06966	0.6
142.07776	1.3
143.08528	4.3
145.10088	5.5
147.08047	2.7
147.11664	21.7
149.09599	2.1
155.08525	0.8
157.10112	4.5
161.05835	0.7
161.09592	1.7
161.13254	5.1
163.11130	1.3
165.12689	0.9
171.11661	10.6
175.11151	4.8
189.12709	5.5
193.12212	9.2
207.13770	10.4
211.13405	1.1
225.14723	0.6
249.14857	1.5
267.15884	39.9
268.16327	1.4
281.17432	39.5
282.17709	0.9
335.19595	0.5
447.27267	1.1
455.28104	0.9
473.28934	100.0
474.29419	6.8
477.83377	0.7
491.30038	2.0
515.29999	1.6
733.49719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.05498	17.9
57.03439	14.9
57.07071	33.0
61.02914	4.1
67.05498	33.3
67.05836	3.8
69.03428	4.3
69.07061	14.8
71.04978	5.0
71.08628	22.5
79.05474	22.6
81.03406	46.1
81.07048	32.2
83.04973	15.9
83.08605	23.9
85.02477	2.6
85.02908	21.5
85.06528	3.2
85.10172	12.4
86.09714	3.4
89.29967	2.3
91.05468	25.2
93.07008	15.2
95.04955	17.4
95.08598	24.7
97.06516	2.3
97.10165	8.6
98.21619	4.6
105.07029	19.3
107.04947	6.7
107.08604	8.6
109.06532	3.6
109.10136	9.1
111.08079	6.6
113.06021	3.5
119.08537	13.6
121.10091	7.2
123.11714	6.8
129.06987	10.0
131.08556	11.1
133.10115	9.7
142.07698	3.7
147.11697	12.9
149.09552	3.0
157.10071	8.3
168.15059	2.2
175.11168	11.0
183.77135	2.4
184.07364	5.5
193.12233	32.4
211.13252	54.0
229.74608	2.4
239.23589	2.9
267.15894	15.8
285.16919	63.1
313.27322	80.1
357.27765	2.4
465.35730	3.1
505.38974	12.4
523.39929	100.0
524.40045	8.6
720.47339	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	721.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.4
55.01871	9.6
55.05503	33.5
56.59468	2.1
57.03427	16.3
60.08175	1.7
61.02908	5.7
65.03926	5.2
67.05499	75.1
69.03423	30.0
69.07063	23.7
70.59152	2.3
70.59511	7.0
71.04976	19.8
79.05482	68.3
81.03407	100.0
81.07042	81.0
83.04974	26.3
83.08601	26.7
85.02901	23.2
85.06542	5.0
91.05468	63.6
93.07033	57.4
95.04958	32.9
95.08595	37.6
97.02875	23.3
97.06519	14.6
97.10170	14.3
99.04449	7.0
99.08086	5.3
101.02296	2.1
105.07019	52.8
107.04949	13.8
107.08587	32.5
109.02859	15.1
109.06489	12.5
109.10141	20.2
111.04433	13.5
111.08076	13.1
115.05447	2.3
117.07005	19.6
119.04916	3.0
119.08570	39.4
120.08950	2.9
121.06522	5.6
121.10139	23.9
123.04446	2.9
123.08054	9.0
123.11690	8.8
125.09619	9.4
127.03909	17.1
128.06241	4.2
129.05460	5.2
129.06981	14.7
131.04959	2.9
131.08545	30.3
133.06470	5.2
133.10121	35.0
135.08069	10.6
135.11650	11.4
137.09630	5.8
139.03972	2.3
141.07008	5.7
142.07777	3.1
143.07573	2.0
143.08527	10.9
145.06464	4.4
145.10110	21.3
147.08055	6.6
147.11652	20.2
149.09634	12.9
149.13237	7.2
151.11197	3.4
153.12683	3.0
155.08546	8.0
157.06445	4.1
157.10118	18.3
159.08028	4.8
159.11652	12.4
161.09634	4.7
161.13313	4.2
163.11180	9.8
165.12764	7.0
166.07756	2.0
166.45129	2.1
167.08551	2.7
169.10121	6.2
171.08047	2.5
171.11665	7.7
173.04428	30.3
173.09618	5.5
173.13237	7.0
175.11171	11.7
177.12675	3.4
177.81282	1.9
181.10080	2.8
181.12306	3.5
183.11646	5.2
185.09689	2.4
185.13182	5.7
187.14850	4.0
189.11206	4.5
191.10664	2.7
193.12198	25.5
195.11757	4.1
195.13815	5.7
197.09651	2.1
197.13345	2.7
199.14793	2.1
211.11258	3.9
211.13245	36.5
217.16013	3.4
223.13115	2.6
227.12674	10.5
229.14258	5.0
229.19571	2.6
239.14444	3.4
239.17851	3.9
245.19064	3.4
247.20518	4.1
253.14369	2.6
257.18961	9.6
267.15860	19.0
269.17410	7.1
273.18753	2.4
275.17029	2.0
275.20023	47.3
283.15341	3.6
285.16959	12.2
287.19855	2.2
291.19583	4.3
293.21008	3.3
309.04541	2.1
320.69965	2.3
331.22574	3.8
349.23691	23.5
354.69556	2.3
355.17886	2.7
361.49231	2.1
367.24661	2.3
395.20413	2.2
419.24319	2.6
429.21344	4.8
435.27432	3.1
449.30255	2.8
461.28958	6.7
467.31580	5.4
479.29959	4.3
485.32776	4.1
493.28244	2.6
531.36346	4.7
541.35229	30.8
559.36249	35.4
577.36664	2.6
623.34265	13.0
656.27832	2.0
685.39972	4.2
703.40961	13.2
704.40912	3.0
721.41418	17.1
730.56488	2.2
748.85278	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	721.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.2
55.01868	11.5
55.05505	37.7
57.03435	16.0
61.02909	5.8
65.03938	6.1
67.05499	80.6
68.05823	2.0
69.03420	31.7
69.07057	24.3
69.33187	19.5
69.78486	2.0
71.01334	2.9
71.04985	13.8
73.02888	1.8
77.03911	2.1
79.05485	69.1
81.03408	100.0
81.07051	95.3
81.07451	1.6
83.04968	25.9
83.08603	28.1
85.02900	26.8
85.06535	4.6
91.05470	71.5
93.07037	61.3
95.04960	37.9
95.08595	36.2
97.02888	27.0
97.06524	16.9
97.10162	11.4
98.21498	4.2
99.04451	9.5
99.08092	4.7
101.00813	1.9
105.07020	62.8
107.04939	21.5
107.08575	38.6
109.02863	15.9
109.06525	13.5
109.10142	22.2
111.04408	11.5
111.08080	8.6
115.05372	3.7
117.07001	22.7
119.08570	47.5
121.06519	10.0
121.10140	24.9
123.04401	2.6
123.08040	11.6
123.11670	7.5
125.09625	8.7
126.25208	1.8
127.03907	17.8
128.06244	4.5
129.05472	6.5
129.07014	22.1
131.04863	2.7
131.08556	36.4
133.06482	5.8
133.10118	33.2
135.08046	10.2
135.11681	13.0
137.09598	7.5
141.06993	5.6
141.09061	2.6
142.07806	4.7
143.08534	13.1
145.06470	7.7
145.10095	27.7
147.08026	7.7
147.11679	28.4
149.09598	20.3
149.13245	5.9
151.11197	4.6
153.09108	2.6
153.12712	2.6
155.08522	5.8
156.09270	1.9
157.06464	2.6
157.10124	21.2
158.07327	2.4
159.08023	3.6
159.11661	18.1
161.09605	6.8
161.13275	5.7
163.11176	7.4
165.09073	2.8
165.12732	7.0
169.10101	7.4
171.11693	7.2
173.04477	23.4
173.09663	3.3
173.13245	7.4
175.11205	11.8
175.14893	2.6
177.12753	4.0
181.10133	3.8
181.12144	3.3
182.87173	1.9
183.11681	7.5
187.11234	3.1
187.13332	2.2
187.14833	3.3
189.03618	2.2
189.11186	4.8
189.12723	2.5
191.10545	2.2
191.14243	2.4
193.12218	25.3
195.11627	4.0
195.13756	3.4
199.14828	2.5
201.12674	2.2
202.28900	2.1
205.81665	1.9
211.13225	37.2
211.14987	3.5
219.13850	1.9
221.13347	2.3
223.13187	2.5
227.12758	7.8
229.14418	3.7
229.19467	3.2
239.17996	4.0
247.20549	3.6
249.14844	2.5
257.19025	8.3
267.15927	18.3
269.17508	5.2
273.15076	2.4
273.18381	3.3
275.20035	56.7
283.15527	3.8
285.16928	15.9
291.19565	3.8
293.21130	6.4
305.17654	2.0
331.22629	3.6
349.23743	29.4
355.17450	3.6
373.23550	2.8
383.21606	2.7
401.23236	3.7
419.24197	2.6
429.21564	3.2
433.25732	7.1
449.30167	2.5
461.28796	4.2
467.31042	3.0
479.29861	6.3
513.36029	2.7
523.33618	2.6
541.35138	23.8
551.87921	2.1
559.36194	28.4
568.81952	2.3
577.37445	3.4
623.34100	6.5
667.38068	4.1
683.53082	2.1
685.38947	4.7
703.40326	13.6
715.07739	2.4
721.41718	13.7
741.01190	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88153	2.7
53.03937	8.6
55.01863	12.1
55.05505	31.6
57.03429	19.8
61.02915	4.4
63.67934	2.1
65.03920	5.3
67.05496	69.5
69.03421	20.6
69.07066	22.4
71.04989	11.3
71.08610	2.4
79.05482	59.8
81.03407	100.0
81.07047	86.0
83.04979	26.2
83.08604	32.6
85.02892	18.2
85.06519	6.2
91.05470	58.2
93.07030	53.6
95.04955	33.7
95.08595	44.4
97.02880	23.2
97.06538	16.0
97.10153	10.7
99.04398	4.6
103.05458	2.5
105.06371	3.8
105.07021	49.9
107.04940	17.6
107.08588	39.0
109.02874	12.9
109.06505	21.3
109.10118	14.1
111.04419	15.5
111.08051	14.0
115.05477	5.4
116.75403	2.4
117.07002	21.6
119.07775	4.7
119.08567	50.4
121.06457	8.9
121.10132	28.1
123.08052	9.3
123.11691	8.9
125.09618	8.0
127.03926	11.0
127.78150	2.5
128.06233	2.9
129.05450	4.7
129.07008	15.4
131.08540	30.0
133.06479	6.1
133.10112	27.7
135.08025	10.1
135.11678	22.7
137.09631	5.3
138.07768	2.2
141.06926	3.8
142.07809	4.4
142.43288	2.6
143.08531	9.2
145.06439	4.2
145.10123	27.2
147.08020	5.6
147.11664	29.7
149.09624	18.0
149.13213	3.9
151.11191	2.7
153.12741	3.9
155.08545	5.4
157.10143	19.4
159.11662	17.2
161.09610	4.2
161.13260	2.5
163.11194	28.8
165.12727	9.4
169.10146	5.6
171.11659	6.7
173.04523	5.5
173.09505	2.6
173.13283	4.9
175.11174	14.3
177.12788	3.8
181.10104	3.0
181.12173	6.3
183.11652	3.7
185.13168	4.5
187.11298	2.6
187.14772	3.5
189.11232	3.7
191.10649	3.4
193.12230	43.1
197.13232	5.6
201.88062	2.4
211.13239	40.2
227.12720	20.5
229.14355	6.3
229.19437	3.4
239.17998	3.1
247.20593	3.7
249.14809	2.9
257.18893	13.4
267.15891	56.8
275.20029	70.1
283.15384	25.5
285.16910	15.8
293.21118	7.6
331.22650	4.4
338.56064	2.7
349.23715	34.0
355.17407	4.2
367.24835	4.6
383.22165	4.6
401.23318	2.8
429.21164	9.0
449.30237	2.6
457.25696	6.3
475.26901	44.6
492.00586	2.8
493.27652	3.7
523.34601	3.3
541.35217	27.1
559.36292	30.8
577.37335	4.2
685.39270	3.4
703.40485	19.0
721.41815	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
53.47964	3.2
55.05511	21.6
57.03420	8.3
67.05495	52.9
69.07050	13.7
71.53648	4.0
72.69118	3.5
73.11364	3.3
79.05484	65.3
81.03442	8.3
81.07042	56.8
83.04956	9.4
83.08608	5.0
85.23785	2.9
90.92932	3.0
91.05473	46.5
93.07033	74.8
95.04944	13.9
95.08598	39.5
97.10175	4.3
105.07018	38.4
107.08578	21.5
109.06528	7.6
109.10155	9.1
117.07007	6.7
119.08588	22.7
121.06549	3.7
121.10149	11.3
129.06961	8.7
131.08534	10.7
133.10117	12.7
135.11714	5.3
143.08586	8.6
145.10080	9.5
147.11650	34.0
161.09552	4.2
161.13261	13.0
165.59494	3.5
165.89619	3.7
171.11676	16.9
184.07355	6.9
189.12708	5.2
207.13716	24.1
281.17465	57.9
288.95306	3.3
335.25696	60.5
435.82419	3.1
541.38849	100.0
542.39001	4.8
597.79834	3.4
624.28046	9.4
673.64606	4.0
721.49695	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	722.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01867	5.3
55.05261	0.8
55.05509	11.6
57.03432	9.3
59.05006	0.8
61.02913	1.4
67.05495	14.8
69.03410	2.6
69.07057	3.4
70.93265	1.6
71.04989	3.3
77.70467	0.6
79.05486	17.2
81.03407	40.1
81.07047	16.3
81.40395	0.7
83.01318	3.7
83.04979	7.3
83.08608	12.3
85.02909	3.5
85.06542	1.1
91.05472	14.7
93.07030	14.9
95.04956	17.4
95.08592	8.1
96.84808	0.6
97.02859	3.8
97.06529	2.8
97.10152	5.3
99.04433	0.9
99.08089	0.9
103.05437	0.6
103.30391	0.6
105.07016	10.6
107.04942	8.1
107.08588	9.9
109.02858	1.1
109.06506	5.1
109.10172	3.7
111.04439	2.9
111.08062	4.1
115.05437	1.2
117.07016	5.5
119.04934	0.8
119.08566	10.2
121.06486	4.0
121.10132	5.8
123.04440	0.7
123.08074	4.1
125.05963	0.8
125.09617	4.2
129.06993	5.2
130.07777	1.4
131.08545	7.0
133.06473	2.9
133.10123	4.3
135.04352	0.7
135.08049	1.9
135.11667	5.5
137.05939	0.8
137.09601	1.7
142.07773	1.2
143.08524	1.2
145.06474	1.8
145.10088	8.3
147.08089	3.1
147.11670	3.5
149.09592	2.6
153.12737	2.7
155.08574	1.8
157.06586	0.8
157.10135	5.1
159.08049	1.0
161.05933	3.0
163.11153	11.7
165.12715	1.5
167.08482	0.7
169.10204	1.1
171.08089	0.9
173.09595	2.3
173.11839	0.9
175.11130	4.1
181.12267	2.0
183.08165	0.7
183.11690	0.9
184.07306	1.2
185.09691	0.8
187.07545	0.7
189.09071	0.9
189.11209	2.0
191.10693	1.8
193.12238	8.5
201.12660	1.1
203.14268	1.0
205.12202	1.3
206.91756	0.7
209.11752	3.7
211.11296	1.0
211.13263	2.0
213.12868	1.6
227.12753	2.4
229.12213	0.8
231.13797	2.0
243.02873	0.6
243.13782	1.0
249.14719	1.1
257.15500	0.9
265.14352	0.7
267.15866	26.3
268.16125	1.0
269.15298	1.1
271.13229	1.4
273.14932	2.3
283.15372	20.9
285.16989	1.4
289.14368	2.6
303.15927	0.9
337.21646	1.2
355.22690	1.9
365.21243	3.9
383.22113	17.2
384.22290	1.0
401.23257	7.8
419.24283	2.7
421.23721	1.1
431.24017	1.2
439.24835	1.4
450.11035	0.7
457.25812	27.4
458.26050	1.3
461.29178	1.5
475.26874	100.0
476.27011	3.5
493.20868	0.6
493.27905	12.5
517.28113	1.8
583.28442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.9
57.57465	0.2
60.08159	5.8
62.50785	0.2
67.05492	0.3
70.82536	0.7
71.07366	3.0
81.07038	0.7
86.09697	28.7
98.98458	2.6
104.10731	2.4
110.73550	0.2
124.99992	19.0
125.83418	0.2
143.01041	0.5
184.07320	100.0
185.07558	0.4
192.40747	0.2
203.29112	0.2
313.27475	0.3
481.38870	0.3
521.44788	0.3
690.46674	0.6
721.86023	0.3
722.49506	5.1
734.42157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30833	0.2
56.96553	4.7
68.96547	0.3
69.03432	0.3
71.95229	0.2
80.38393	0.2
84.96022	2.8
85.02869	0.4
94.48675	0.2
98.21463	0.7
98.97569	25.3
102.97035	0.2
110.96793	0.5
110.97546	7.3
116.98607	13.4
122.01324	0.3
124.99105	0.8
128.98592	11.7
131.00145	0.5
134.99637	4.2
140.00133	0.6
140.98573	2.6
143.00148	7.5
144.98010	0.4
145.01656	0.2
146.99640	7.3
149.01219	0.3
152.00139	0.4
152.98561	1.3
152.99619	0.3
153.00661	0.4
155.00191	0.3
156.98067	0.4
158.99634	13.6
161.01201	8.6
162.99144	0.4
165.00696	0.9
168.00107	0.4
170.01173	0.3
170.99629	13.9
173.01176	1.0
173.02853	0.5
174.99141	0.5
177.00693	13.2
178.01236	0.3
179.02213	1.1
182.99620	9.0
185.01187	0.4
189.00684	17.8
190.01114	0.3
191.02303	0.4
193.00148	0.3
194.99622	0.4
195.01892	1.3
200.02328	0.6
201.00684	40.9
202.01077	0.5
203.02174	0.6
203.03868	0.4
204.01404	0.4
207.01743	2.2
210.01143	0.3
212.02336	0.8
213.00696	3.6
213.02620	0.3
219.01738	34.4
220.02078	0.3
224.02313	1.1
225.00703	0.5
231.01730	4.9
237.02809	18.2
240.02228	0.7
242.03348	1.2
243.01729	17.7
245.05177	0.3
249.02802	0.9
252.02235	0.3
255.03857	4.4
260.04251	0.4
261.02783	74.4
262.03186	1.1
273.02734	5.4
274.04559	0.3
279.03854	43.1
280.04373	0.7
284.04364	0.8
291.03827	14.6
297.04977	1.6
300.04306	0.5
302.05420	2.9
303.03558	1.1
309.04828	1.5
314.05618	0.4
321.04892	30.6
322.05301	0.4
333.04932	3.6
345.05020	0.7
351.06000	7.3
363.05884	2.1
381.06995	23.9
382.07318	0.4
399.08069	24.8
400.08475	0.6
422.09561	1.6
423.08105	0.7
441.09125	100.0
442.09546	2.7
453.09323	1.7
471.10147	0.7
495.10309	0.4
501.10977	1.2
543.12445	1.3
654.99365	0.3
723.18835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01857	4.4
55.05505	24.9
57.03427	9.2
57.07055	3.4
64.83081	2.4
67.05154	5.1
67.05497	69.6
69.03416	5.8
69.07066	15.7
71.04982	21.1
71.57388	2.6
71.57831	3.0
71.82081	2.2
79.05481	39.5
81.03414	24.3
81.07047	100.0
83.04979	16.3
83.08607	10.6
85.02925	4.4
85.06531	6.1
86.09703	11.8
91.05463	32.6
93.07040	41.5
93.48800	2.5
95.04964	11.8
95.08584	35.5
96.08976	2.6
97.02882	4.4
97.06507	9.6
97.10168	5.3
105.07025	22.7
105.45463	2.5
107.04942	4.3
107.08571	24.3
109.02867	4.7
109.06503	3.2
109.10155	20.1
110.92676	2.3
111.04444	5.4
111.08078	3.4
117.06990	7.9
119.08578	14.0
121.06489	4.0
121.10156	16.3
122.71885	2.6
123.07996	2.7
123.11678	13.7
124.99998	3.3
127.03886	3.8
129.05443	6.6
129.06998	5.3
131.08562	12.8
133.10107	20.7
135.11700	12.9
141.49709	2.6
143.08612	3.3
145.06500	2.7
145.10121	10.6
147.11676	9.8
147.45157	2.3
149.09569	2.8
149.13284	6.9
151.11172	7.5
155.08533	3.4
157.10110	7.1
159.11710	8.2
163.11211	5.2
165.12685	2.9
165.38550	2.6
171.11665	4.0
173.04442	4.9
173.13312	5.7
184.07332	37.1
185.07686	6.5
185.13187	2.8
187.11191	2.6
187.13269	6.6
195.13770	3.9
197.13223	2.4
225.14850	3.6
227.12668	6.1
227.16321	3.0
243.15907	3.9
253.14407	7.2
261.22202	5.6
264.95847	2.5
267.16022	8.4
269.17480	7.6
291.19482	3.0
321.17288	2.7
335.25827	21.1
369.24323	4.9
387.25638	2.9
461.29089	3.4
493.15503	3.0
503.37387	21.3
505.31992	3.8
505.38684	28.8
529.38824	4.2
543.36780	8.6
561.41187	9.1
605.16040	3.0
649.59674	2.8
673.42285	6.7
705.45087	3.6
723.44733	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	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01855	3.3
55.05516	21.8
57.03421	11.9
57.07092	4.0
57.85281	2.5
60.08135	5.3
65.03925	4.6
67.05499	76.8
69.03410	11.0
69.07067	15.2
71.04979	20.3
71.07358	4.2
77.06266	2.8
79.05487	34.6
80.35416	3.0
81.03422	22.4
81.07048	100.0
83.04974	27.0
83.08614	9.1
84.81384	2.7
85.02892	5.7
85.06514	8.9
86.09697	17.7
91.05466	33.8
93.07030	36.4
95.04940	10.4
95.08597	42.2
97.02870	4.2
97.06518	3.9
97.10121	5.2
98.98425	3.3
99.04404	3.2
99.07986	3.3
104.10704	3.3
105.07014	24.0
107.08585	23.0
109.06509	5.5
109.10145	16.0
109.96464	2.7
111.04386	5.4
117.06995	9.1
119.08553	12.8
121.10136	17.0
123.11671	12.2
125.00010	14.6
129.05482	9.0
129.07014	5.6
131.08525	12.3
133.10118	19.5
135.11652	10.9
143.08551	3.2
145.10103	8.4
145.65089	3.4
147.11703	7.6
149.09663	3.8
149.13237	10.9
151.11151	7.2
157.10152	3.9
159.11664	6.3
161.13225	3.1
173.04492	8.1
173.13252	4.3
184.07330	63.6
185.07614	12.0
187.13289	9.7
193.12206	4.8
195.13753	3.3
197.13170	2.8
201.14879	3.7
229.66972	2.8
237.71098	2.9
261.22055	9.2
267.16074	6.0
269.17633	6.7
274.33835	2.8
309.16895	3.0
310.18201	2.9
335.25803	23.1
339.17990	3.3
461.29507	3.1
479.29034	2.7
503.37357	33.7
505.38782	21.1
517.38727	5.5
529.38605	9.9
561.41626	21.1
673.42157	5.2
705.45618	7.6
723.45923	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	723.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01858	3.3
55.05251	2.4
55.05502	26.9
57.03421	5.8
57.07074	2.7
58.51743	1.3
59.04988	1.4
60.20671	1.3
64.46822	1.5
65.03930	3.4
67.05495	77.2
69.03426	8.5
69.07060	14.8
69.21568	14.1
71.04984	27.0
72.89378	1.6
79.05480	39.5
79.91579	1.2
81.03407	23.1
81.07047	100.0
83.04972	22.0
83.08595	10.7
85.02885	2.6
85.06526	7.9
86.09698	1.9
91.05470	37.5
93.07030	43.2
95.04960	10.0
95.08596	31.6
97.02861	5.0
97.06507	7.1
97.10143	3.4
98.20764	3.2
99.04460	2.6
99.08072	2.3
105.07014	25.4
107.04929	1.7
107.08588	24.4
109.02853	3.4
109.06498	4.2
109.10140	17.4
109.26808	1.5
111.04440	4.0
111.08073	2.6
115.05360	1.5
117.07007	8.7
119.08574	11.6
121.10122	13.9
123.07996	2.0
123.11694	15.6
127.03925	3.1
128.06161	2.2
129.05453	9.7
129.06993	3.6
131.08537	13.1
133.10118	21.2
135.08012	1.7
135.11670	9.5
137.09550	1.7
141.06929	2.6
143.08528	3.8
145.06393	1.9
145.10091	8.5
147.08029	2.6
147.11642	9.0
149.09615	1.7
149.13293	7.9
151.11140	8.2
151.12267	1.5
155.08560	2.3
157.10123	5.1
159.08080	1.7
159.11681	9.1
161.13235	4.4
163.14917	1.4
169.10146	2.0
171.11655	3.7
173.04454	6.1
173.13234	2.5
175.05963	1.9
175.11151	2.5
177.12773	3.6
183.13786	2.0
184.07310	5.9
185.13138	2.8
187.13298	11.6
187.14786	2.7
193.12215	1.8
195.11714	2.4
195.13815	2.7
197.13326	1.8
201.14813	4.0
211.14832	1.7
225.14932	4.3
243.15868	5.4
257.17538	2.8
261.22144	4.1
267.15948	2.4
269.17331	9.0
301.20096	1.6
314.89670	1.4
335.25745	19.4
338.56128	1.4
339.18137	1.6
351.23318	2.9
353.05600	1.5
363.25165	1.8
369.24146	4.2
387.25208	1.6
445.24283	2.8
461.28522	1.7
479.30002	1.7
492.73877	1.6
498.26443	1.6
503.30292	2.6
503.37250	35.2
504.37527	2.7
505.38901	19.5
517.38440	2.0
529.38947	6.4
561.33447	1.8
561.41479	25.2
562.41571	2.0
637.41058	2.2
655.41412	1.9
673.43109	6.2
691.44330	3.2
705.45221	7.2
723.46814	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	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01864	2.7
55.05505	11.4
57.03433	14.5
61.02895	1.0
63.25844	0.9
66.88922	0.9
67.05504	16.4
69.03428	3.0
69.07063	3.4
70.73887	3.2
71.04967	3.3
79.05484	18.0
81.03410	78.5
81.07052	18.4
83.04977	8.2
83.08612	18.9
85.02898	10.5
88.56341	0.9
91.05476	21.4
93.07027	11.1
95.04964	25.1
95.08594	7.0
97.02881	3.1
97.06505	2.9
97.10149	4.2
99.08107	1.2
105.07028	18.0
107.04948	6.7
107.08611	7.0
109.06501	5.0
109.10146	3.2
111.04445	1.1
111.08076	6.8
113.06038	1.2
115.05435	2.3
117.06998	2.8
119.08582	14.5
121.06504	3.1
121.10123	6.5
123.08051	1.8
125.09605	2.9
128.06157	1.1
129.06995	9.7
131.08554	12.2
133.06477	4.4
133.10127	7.3
133.26378	1.1
135.08183	1.0
137.09641	2.4
142.07710	2.1
143.08586	1.2
145.06473	4.4
145.10088	1.8
147.08029	3.6
147.11670	11.5
149.09631	6.5
155.08525	1.4
157.06459	1.1
157.10100	10.2
157.39641	1.0
165.12737	2.0
167.08554	1.1
171.07964	1.1
175.11163	11.2
176.11475	0.9
185.13138	0.9
188.14281	0.9
189.11227	1.0
193.12219	28.6
197.13181	0.9
211.13257	16.1
227.12633	1.7
229.14336	1.6
233.15338	1.7
249.14781	2.2
255.13901	1.4
267.15897	100.0
268.16223	4.3
273.14767	3.8
275.27600	0.9
285.16959	12.3
323.18478	1.0
349.21561	3.5
367.22678	10.0
385.23697	11.2
403.24866	2.2
415.24615	1.2
433.25775	12.6
441.26291	7.1
459.27380	65.6
460.27682	4.9
477.28448	39.1
478.28693	3.8
479.68280	1.0
519.29578	1.7
726.09106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01892	2.2
55.05504	16.4
57.03437	17.5
57.07076	2.1
60.28894	1.5
61.02918	3.6
65.03935	2.6
67.02286	2.3
67.05495	51.9
69.03427	3.7
69.07069	11.6
69.56142	13.7
71.04995	2.4
79.05488	31.8
80.80103	1.6
81.03408	71.4
81.06570	3.1
81.07048	49.3
81.07511	3.4
81.90467	1.5
83.04975	4.1
83.08614	18.9
85.02922	3.3
85.72268	1.6
91.05470	24.1
93.07035	34.7
95.04961	24.0
95.08026	1.4
95.08593	32.7
95.80361	1.6
97.02876	3.3
97.06526	1.8
97.10165	4.5
98.21487	2.1
98.73197	1.8
105.07006	19.7
107.04930	6.7
107.08594	15.8
107.27077	1.5
109.06540	5.1
109.10142	14.6
111.04437	1.7
111.08081	6.7
117.07008	4.8
119.08567	18.7
121.06528	4.4
121.10141	17.3
121.10931	2.5
123.11706	5.3
125.09665	4.4
129.07010	8.7
131.08557	13.5
133.06519	2.7
133.10103	10.4
135.08086	1.8
135.11670	12.4
137.09587	2.1
137.13268	2.0
142.07721	2.0
144.09103	2.1
145.10139	8.2
147.04326	2.1
147.11684	11.7
149.09631	3.8
149.13257	6.2
157.10149	7.9
159.11667	5.7
161.13223	3.4
163.11166	2.2
163.14790	2.4
173.13255	4.0
175.11203	7.7
183.30885	2.1
187.14832	2.6
189.11177	4.1
193.12231	21.3
211.13464	2.0
217.88922	1.9
227.12759	5.4
235.13287	3.2
243.21088	6.4
249.14969	2.2
261.22119	20.0
267.15891	100.0
301.25162	5.6
309.17059	3.1
317.24774	3.5
335.25748	92.3
336.26178	3.6
453.33566	6.0
471.34720	3.6
527.37292	49.5
528.37585	3.6
545.38269	20.4
564.39368	2.1
569.37823	4.3
641.85400	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68856	0.2
55.01887	0.2
55.05507	0.6
56.05017	0.6
57.03426	0.2
57.07065	0.2
58.06612	0.3
59.92750	0.2
60.08154	6.0
61.12535	0.2
61.86448	0.2
67.05479	1.0
68.05842	0.2
69.03432	0.3
69.07080	0.3
69.31642	0.9
69.32064	0.8
71.07362	2.6
71.08620	0.2
79.05482	0.9
81.03403	0.9
81.07046	1.2
83.04964	0.3
83.08614	0.2
86.09692	28.8
87.10016	0.4
91.05469	0.7
92.05778	0.2
93.07039	0.9
95.04949	0.4
95.08601	0.8
97.02882	0.5
98.98450	3.0
104.10731	2.3
105.07001	0.6
107.08580	0.5
109.10155	0.3
111.04469	0.2
117.06960	0.2
118.07353	0.2
119.08564	0.5
121.10136	0.6
124.99985	18.7
131.08563	0.2
133.10091	0.4
135.11664	0.4
143.01065	0.4
145.10158	0.2
147.11662	0.3
149.09651	0.2
150.25316	0.2
159.11649	0.2
160.77669	0.2
161.09511	0.2
163.11189	0.2
166.02724	0.2
173.04453	0.3
183.40085	0.2
184.07310	100.0
185.07661	1.2
186.07701	0.3
209.11700	0.4
227.12701	0.3
267.15961	0.3
284.15527	0.4
335.25732	0.4
368.87033	0.2
581.71021	0.2
688.45435	5.6
689.44812	0.4
724.36304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01855	1.4
55.05508	6.2
57.03429	5.0
59.04975	0.9
61.02904	0.6
64.83550	0.5
65.03921	1.1
67.05499	24.6
69.03410	1.8
69.07050	3.5
69.18558	1.1
69.18947	5.1
69.52821	0.4
71.04982	8.8
73.02884	0.6
79.05048	0.8
79.05484	10.2
81.03408	16.8
81.07043	10.8
82.07373	0.6
83.04970	3.0
83.08611	5.8
84.75993	0.5
85.02898	1.4
85.06523	0.8
91.05469	10.6
93.07032	8.7
95.04954	9.7
95.08595	6.3
97.02882	1.5
97.06528	2.4
97.10161	2.9
98.20760	0.8
101.96204	0.4
105.07016	4.9
107.04943	6.1
107.08576	6.1
109.06491	5.3
109.10144	18.7
111.04391	0.9
111.08052	2.5
117.07037	3.1
119.07775	0.8
119.08575	8.7
120.08942	0.5
121.06499	6.1
121.10122	3.5
123.04411	0.5
123.08044	1.7
123.11674	1.1
125.09604	3.2
129.07001	3.5
131.04907	0.8
131.08546	5.3
133.06459	1.6
133.10112	3.4
135.08054	3.5
135.11676	3.1
137.09621	4.6
139.11131	0.5
142.07799	0.6
143.08575	1.5
145.06485	2.0
145.10120	3.7
147.08066	2.3
147.09053	0.5
147.11668	3.3
149.09601	2.0
151.11150	0.6
153.09099	0.8
155.08583	0.8
155.10643	0.7
157.10101	3.1
159.08070	0.9
159.11693	1.7
160.61453	0.5
161.09618	0.9
163.11142	3.0
165.12749	0.6
167.10588	0.7
169.10091	0.6
171.11693	0.7
173.09570	0.6
173.11720	2.9
173.13222	1.2
175.11148	2.1
177.12769	1.1
181.12151	0.6
183.11740	1.0
184.07359	0.5
185.09517	0.8
185.13304	0.7
187.11131	0.5
189.09251	0.5
189.11220	1.6
191.14293	1.5
193.12198	5.0
199.11205	0.9
199.14879	0.7
201.12787	0.7
203.10638	1.0
203.14288	1.2
205.12158	0.9
211.13205	1.0
219.13803	3.2
220.14055	0.5
221.15288	0.5
223.13220	0.9
225.14598	0.5
227.12741	0.9
229.14241	0.6
231.13803	0.7
241.15681	0.6
243.15982	1.2
245.15436	0.7
249.14893	1.7
255.15805	1.2
257.15402	0.6
267.15866	10.2
268.16364	0.7
269.17313	0.8
273.14801	0.7
275.16370	1.1
285.16843	0.6
287.18561	4.1
295.51282	0.5
311.19995	1.5
319.22937	0.5
329.21021	4.3
337.21692	1.0
355.22528	3.1
357.24207	0.6
365.91898	0.5
373.23544	1.0
403.24747	3.5
411.25082	1.3
421.25809	15.2
422.26254	1.1
429.26248	9.1
443.28165	0.8
447.27365	100.0
448.27640	5.4
453.28030	0.6
461.28946	5.4
479.29919	6.9
546.30402	1.1
564.31744	2.7
575.31860	0.7
591.30902	0.7
623.34393	0.6
655.02832	0.6
716.99316	0.5
726.34753	0.5
727.35364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
54.37764	0.8
55.01865	1.8
55.05507	15.6
57.03430	14.1
57.07071	2.1
59.56291	0.9
61.02927	5.2
65.03933	2.9
67.05495	69.1
69.03414	1.8
69.07058	21.6
70.82713	2.1
71.04976	4.3
71.08611	1.1
73.02927	1.0
77.03919	0.9
79.05484	46.6
81.03397	2.7
81.07047	84.8
82.07378	1.5
83.04974	4.0
83.08609	13.6
85.02892	5.2
85.06536	4.2
91.03948	2.3
91.05466	28.3
93.07032	54.7
94.07365	1.6
95.04950	5.2
95.08598	41.6
97.02870	2.8
97.06519	9.3
97.10141	1.9
97.47078	0.8
99.08063	1.3
105.04472	1.0
105.07020	15.6
107.08584	35.2
109.10149	14.8
111.08060	4.1
113.09647	1.0
115.05410	1.4
117.07000	10.1
119.08553	6.6
121.06515	2.2
121.10125	24.2
121.11007	1.4
123.08064	1.4
123.11706	7.9
125.09626	0.9
127.03841	1.0
129.06978	1.0
131.08562	9.8
133.10109	18.0
135.08028	1.8
135.11679	15.1
145.10114	3.9
147.11681	5.1
149.09529	1.0
149.13251	14.5
151.11104	1.3
159.11661	11.6
161.13217	2.1
163.14775	1.1
167.14371	1.3
173.13254	2.3
175.14804	1.3
177.12807	4.2
184.07196	1.2
187.14723	1.2
192.57884	1.1
195.13789	13.1
213.14859	2.2
243.21057	3.1
261.22159	13.1
262.22491	1.0
267.15891	1.7
269.17450	95.6
270.17783	5.9
317.24701	3.6
333.24155	1.0
335.25766	88.9
336.26114	6.7
342.84354	1.0
349.05899	0.9
367.41833	1.1
404.22604	1.1
437.34076	4.2
440.35760	1.2
455.35364	1.2
505.21793	1.1
511.37881	2.1
529.38831	100.0
530.39301	11.7
547.39685	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	726.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01858	2.1
55.05503	15.5
57.03171	1.5
57.03428	15.6
57.07055	2.9
58.32719	0.7
61.02899	2.7
64.71822	0.8
65.03937	2.6
67.05495	67.9
69.03406	1.3
69.06705	1.5
69.07056	22.7
69.49818	5.3
69.50228	1.2
71.04970	3.5
71.08646	1.1
73.02894	1.6
79.05479	40.5
81.03413	1.6
81.07046	74.6
83.04972	5.1
83.08610	11.3
84.75002	0.8
85.02899	3.8
85.06528	3.5
86.09691	0.9
91.03937	1.6
91.05025	0.8
91.05463	22.7
93.07028	61.5
94.07358	1.4
95.04961	5.0
95.08596	36.9
97.02864	2.3
97.06517	11.0
97.10143	2.4
98.20676	1.5
99.04469	0.9
99.08085	2.5
105.07014	11.9
107.04996	0.9
107.08582	31.5
108.08909	1.2
109.06497	2.5
109.10150	11.0
111.08073	6.2
113.09615	1.1
117.07005	8.6
119.08575	7.4
121.06502	1.2
121.09277	1.6
121.10119	23.6
123.08077	1.3
123.11719	3.9
131.08545	10.6
133.06403	0.8
133.09200	1.0
133.10120	9.1
135.08086	0.9
135.11670	13.0
137.13223	1.0
139.11143	1.1
145.10109	4.9
147.11684	3.6
149.09578	1.3
149.13242	27.3
150.13538	1.2
159.11664	12.8
161.13228	3.0
163.14781	2.5
165.12692	1.0
167.14296	1.0
173.13191	2.9
175.14742	0.9
177.12758	4.9
187.14799	2.0
192.49863	0.8
195.13808	10.4
211.92860	0.8
213.14749	2.4
231.75636	0.8
243.20975	2.9
261.22113	11.5
267.15875	2.4
269.17432	98.5
270.17892	3.8
317.24686	2.6
335.25754	65.4
336.26132	5.1
377.22287	0.8
437.34171	1.4
529.38812	100.0
530.39124	11.0
547.40192	1.7
564.69592	1.0
576.12036	1.0
726.44861	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	727.2071
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05508	0.4
57.03432	2.7
60.32257	0.2
61.02924	1.4
65.81245	0.2
68.99792	0.5
69.03069	0.2
69.03424	2.8
70.81097	0.5
71.01318	0.3
71.04984	11.5
73.02911	2.6
75.04462	0.7
80.98036	0.2
81.03389	0.6
83.04974	2.5
85.02895	17.2
87.04445	0.4
91.03940	1.0
95.04943	0.3
97.02879	4.1
98.04811	0.2
99.04429	0.3
105.03418	0.3
107.04931	0.4
109.02853	0.5
111.00789	0.5
111.04416	1.7
113.02359	0.2
115.03909	2.0
121.02840	2.3
127.03902	1.0
129.05460	4.2
133.02829	0.4
133.04964	0.5
135.04391	0.3
137.02316	0.8
139.03806	0.3
145.04948	0.7
147.04378	0.5
147.06522	1.9
153.01816	2.8
157.04916	0.3
157.06442	0.4
161.05983	0.2
163.03868	0.2
163.05997	0.7
165.01886	1.3
165.05360	0.2
165.07452	0.2
169.04990	0.2
169.06377	0.2
171.04404	0.2
183.02805	0.9
185.05975	0.3
191.03349	0.2
197.06027	0.2
213.05449	1.2
225.07582	1.2
231.06502	0.5
241.04916	0.7
241.07106	0.2
243.08690	0.4
258.05173	0.8
259.05905	0.4
269.04507	0.3
287.05460	100.0
288.05795	3.2
295.88437	0.2
299.05496	1.0
300.06241	0.2
311.05573	0.2
325.07135	0.3
329.06494	1.0
353.06406	1.0
353.47922	0.2
383.07791	0.3
395.07587	0.2
431.09451	0.5
449.10715	2.3
456.15710	0.2
581.14502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.1
56.05022	0.5
56.98054	0.1
58.06294	0.1
58.06609	0.4
59.07393	0.2
60.08155	5.9
67.05481	0.2
69.37432	0.1
70.06546	0.1
71.07364	3.2
79.05471	0.2
80.97417	0.1
81.03385	0.1
81.07025	0.2
86.09692	29.4
87.10021	0.3
91.05449	0.2
93.07019	0.2
95.04935	0.1
95.08581	0.1
95.72724	0.1
98.98451	2.9
104.10728	2.0
105.07028	0.2
107.04866	0.1
107.08552	0.1
116.99476	0.1
119.08577	0.1
124.99984	20.0
133.10095	0.1
138.47699	0.1
143.01001	0.3
149.09566	0.1
149.73170	0.1
154.44005	0.1
166.02643	0.1
182.17532	0.1
184.07312	100.0
185.07697	0.9
317.96582	0.1
406.92529	0.1
434.36160	0.1
468.23468	0.2
728.44849	3.3
729.44873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05028	0.7
58.06618	0.4
59.07381	0.1
60.08157	6.2
60.77250	0.1
67.05482	0.2
69.50349	0.4
69.50790	0.3
70.06577	0.1
71.07363	3.8
73.09992	0.1
73.80645	0.1
79.05487	0.2
81.07049	0.2
86.09694	30.8
87.10016	0.2
91.05470	0.2
93.07026	0.2
95.08586	0.1
98.20716	0.2
98.98451	3.1
98.99096	0.2
104.10732	2.5
106.74257	0.1
107.08587	0.1
109.10184	0.1
110.78459	0.1
114.90218	0.1
124.99986	20.8
141.65225	0.1
143.01047	0.3
146.80763	0.1
166.02661	0.2
184.07315	100.0
185.07651	0.6
189.09369	0.1
269.26050	0.1
402.85638	0.1
500.31583	0.1
513.44116	0.1
518.32117	0.2
632.17352	0.1
706.11646	0.1
728.44830	4.2
729.45361	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	728.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.6
56.04992	0.8
58.06576	0.5
60.08154	6.9
64.32729	0.3
67.05494	1.8
69.07021	0.5
71.07370	3.8
71.81985	0.3
79.05447	1.1
81.07014	1.2
85.02850	0.3
86.09696	35.4
87.10008	0.5
91.05428	1.0
93.06991	0.9
95.04909	0.5
95.08577	0.8
98.21481	1.1
98.98459	4.3
104.10739	2.9
105.06997	0.7
107.08548	0.5
109.10119	0.5
115.69270	0.3
121.10116	0.4
124.99990	22.2
125.07293	0.3
131.76868	0.3
133.10158	0.3
143.01074	0.4
184.07317	100.0
185.07655	0.7
229.69502	0.6
256.83295	0.4
271.15335	1.1
300.34491	0.3
335.25803	1.2
350.15588	0.3
448.79672	0.3
531.37323	0.6
537.31628	0.3
545.39087	0.5
559.60254	0.4
728.44910	10.9
729.45050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01855	3.4
55.05497	10.4
57.03421	6.7
57.07064	3.2
65.03912	1.7
67.05492	46.1
69.03405	3.3
69.07056	13.1
69.27913	14.0
71.04987	3.8
71.71644	1.4
72.28555	1.3
74.00636	1.4
79.05479	26.9
81.03413	4.7
81.07045	46.2
83.04958	6.0
83.08595	3.4
84.38095	1.5
85.02871	4.1
85.06539	3.9
91.05466	31.6
93.07027	25.8
95.04950	6.5
95.08589	21.7
97.06502	2.4
97.10176	1.9
97.29331	1.8
97.73050	1.4
98.21502	2.9
100.04870	1.4
105.07020	26.6
107.08577	26.0
109.06478	2.9
109.10138	45.6
111.08020	2.0
115.30379	1.4
117.06998	3.5
118.17837	1.3
119.08568	7.6
121.10151	8.0
123.11688	8.9
125.00047	1.9
127.07556	1.9
128.06172	1.4
131.08507	6.9
133.10107	49.1
133.11084	2.9
135.11693	6.0
143.08540	2.2
145.10123	2.2
147.11731	1.7
149.13219	5.2
151.11174	24.3
157.04803	1.6
159.11667	5.5
161.09641	3.0
161.13182	1.9
163.14748	1.9
169.12225	3.1
173.13278	3.4
184.07394	7.0
197.11717	1.7
215.12767	2.5
243.20920	3.4
253.14316	100.0
254.14584	1.6
261.22079	13.3
271.15335	44.5
335.25760	36.0
439.31915	2.8
457.32947	3.2
513.35809	8.4
515.42267	1.3
526.71454	1.5
531.36694	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.5
55.72990	2.5
57.03423	6.7
57.07047	2.7
60.08147	7.2
67.05489	21.7
69.07063	8.8
71.57538	5.8
79.05488	24.2
80.87331	2.9
81.03444	4.3
81.07048	19.0
83.04953	3.1
83.08588	4.1
86.09699	35.8
91.05457	22.2
93.07040	32.4
95.08608	10.0
97.06506	6.4
97.10165	3.0
104.10738	2.9
105.07010	22.6
107.08583	18.5
109.10133	5.5
117.07003	8.8
119.08565	17.5
121.10148	5.7
124.99997	21.9
125.09587	2.9
129.07010	2.9
131.08543	7.1
133.10149	13.4
135.11659	22.5
143.08572	4.1
145.10117	12.8
147.11693	10.8
149.13281	3.6
157.10080	3.4
159.11572	3.0
161.13217	7.8
163.11169	3.3
173.13322	3.0
174.23386	2.4
175.14738	3.6
181.12225	5.0
184.07327	100.0
185.13217	2.9
235.60057	2.4
241.19498	7.1
253.14493	2.5
255.15880	28.6
259.20529	29.3
265.04752	3.3
301.87170	2.9
333.24219	11.3
395.91382	2.5
402.41498	2.7
512.99689	3.0
513.35699	19.2
520.90198	2.7
531.36670	7.3
728.43634	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	728.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.0
55.05505	10.4
57.03428	8.4
60.17113	2.0
66.07787	1.7
67.05499	44.6
69.03416	3.1
69.07069	13.2
69.55482	14.2
71.04990	3.0
75.58923	1.8
79.05492	22.6
81.03413	3.6
81.06573	2.5
81.07047	42.3
83.04974	5.5
83.08606	4.4
85.02876	3.7
85.06543	3.0
86.09702	6.1
91.05466	27.3
93.07033	27.8
95.04964	8.4
95.08591	20.9
97.15137	1.6
99.08131	1.9
105.07014	24.9
107.08584	26.5
109.06523	4.3
109.10147	42.5
111.08135	1.9
113.06030	2.3
117.06998	2.3
119.08550	7.1
121.10117	9.7
123.11687	7.9
131.08568	5.8
133.10117	49.4
135.11711	4.8
145.10167	3.9
151.11165	21.8
159.11665	2.9
169.12207	3.2
173.13293	3.1
179.10641	2.4
184.07326	11.2
187.14755	2.8
190.08060	2.0
197.11604	1.7
212.08502	1.9
215.12790	1.8
243.21194	2.0
253.14326	100.0
261.22021	13.5
271.15390	33.2
271.18109	3.2
335.25757	54.2
359.89099	2.0
439.32050	3.6
513.35693	7.0
531.36731	55.0
532.37128	3.2
548.46686	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	729.1865
Annotation	Primflaside
Peak:m/z	Relative Intensity
57.01510	0.3
57.03429	3.3
61.02922	2.7
61.48898	0.3
62.04890	0.3
68.99786	0.7
69.03423	4.8
70.01360	0.5
70.01641	1.7
71.01336	0.5
73.02909	7.1
83.62977	0.4
83.71746	0.3
85.02895	5.3
91.03976	1.7
93.06963	0.4
97.02885	10.8
97.74593	0.4
109.02861	0.8
111.00784	0.8
115.03911	4.1
121.02866	0.7
126.69950	0.4
127.03886	1.6
133.04942	0.6
137.02327	3.3
139.03836	0.4
145.04912	0.9
149.04465	0.5
153.01823	3.3
161.32101	0.4
163.03917	0.6
163.05991	1.2
165.01843	1.4
181.19176	0.3
183.02937	0.7
187.03894	0.4
201.05446	1.1
211.06017	1.4
221.84818	0.3
225.11218	0.6
229.04944	3.3
241.07066	0.7
243.91757	0.4
243.94510	0.4
247.06023	0.8
257.04440	2.1
259.08051	0.4
274.04782	0.6
285.03928	1.1
303.04971	100.0
304.05313	1.3
315.05002	2.1
327.05136	0.5
341.06693	0.4
345.06088	2.4
352.53754	0.4
369.05939	1.4
399.07053	0.7
417.08282	0.4
429.08112	0.7
435.09103	2.4
465.10089	1.9
516.56213	0.4
597.14105	0.8
641.17609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01874	0.3
55.05499	0.7
57.03419	1.3
59.05000	0.5
61.02914	3.6
67.05500	2.0
69.03423	2.4
69.07056	0.9
70.62199	1.2
71.01335	0.5
71.04985	1.8
73.02905	2.9
79.05475	2.7
83.04953	0.7
83.08622	1.1
85.02891	5.3
85.06548	0.4
87.04494	0.6
91.03947	1.5
91.05463	3.0
93.07017	1.9
95.04946	2.5
95.08611	1.2
97.02884	3.6
97.06535	0.5
99.04460	0.6
101.02382	1.7
105.07015	2.0
107.04937	0.6
107.08595	1.3
109.02905	0.5
111.08080	1.0
113.06030	0.5
119.08572	2.0
121.10117	1.8
123.08076	0.6
127.03924	1.3
129.05492	0.4
129.07014	1.1
131.08577	1.5
133.10141	1.5
145.04984	0.4
147.07993	0.7
147.11700	1.2
149.09599	2.0
151.11118	0.7
157.10149	1.5
165.12782	0.4
175.11217	1.1
185.04167	0.5
193.12231	2.7
211.13293	1.1
243.08464	2.2
245.80522	0.4
251.12630	1.0
267.15991	1.3
283.06378	1.1
283.15103	3.5
307.15115	0.8
339.17828	0.9
469.20331	9.4
469.26941	0.5
501.23026	9.3
567.31415	0.8
729.36530	100.0
730.36890	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	730.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
58.06622	0.4
59.07378	0.1
60.08155	6.3
67.05482	0.4
70.71416	0.2
71.07363	3.5
79.05473	0.2
81.07035	0.3
86.09693	30.6
87.10030	0.3
91.05458	0.2
93.07048	0.1
95.08566	0.2
98.98446	3.3
104.10723	2.4
104.11411	0.1
105.06980	0.2
109.10119	0.1
119.08574	0.1
121.10185	0.1
124.99984	20.7
126.00381	0.1
135.11694	0.1
143.01067	0.3
166.02698	0.2
184.07312	100.0
185.07663	1.3
300.37585	0.1
362.07938	0.1
387.81436	0.1
468.23700	0.2
500.89301	0.1
730.46387	3.4
731.46338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07939	0.1
55.05496	0.1
56.04810	0.1
56.05024	0.6
57.03413	0.1
58.06295	0.1
58.06616	0.5
59.07380	0.1
60.08154	6.7
63.27742	0.1
66.07025	0.1
67.05496	0.5
69.07047	0.1
69.29711	0.1
70.06587	0.1
70.36824	0.1
71.07363	3.5
79.05472	0.2
81.07056	0.4
82.75332	0.1
85.02910	0.1
86.09691	32.5
87.10015	0.6
91.05466	0.3
93.07030	0.4
95.08580	0.3
98.20710	0.2
98.98451	3.4
104.10723	2.4
105.07016	0.1
107.08587	0.2
109.10141	0.3
112.72195	0.1
116.99488	0.1
119.08569	0.1
121.10137	0.1
124.99982	21.0
126.00332	0.1
133.10048	0.1
135.11685	0.1
143.01039	0.4
166.02617	0.2
181.88133	0.1
184.07309	100.0
185.07668	1.5
204.33072	0.1
229.14424	0.1
255.15790	0.2
273.16974	0.2
311.00204	0.1
331.65024	0.1
335.25922	0.2
336.25671	0.1
342.75113	0.1
381.73801	0.1
443.84613	0.1
450.22562	0.1
484.20856	0.1
489.35718	0.2
515.36414	0.1
520.34015	0.1
533.38147	0.2
547.40033	0.1
730.46344	4.0
731.46655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
56.04999	0.7
57.03422	0.9
58.06575	0.5
60.08155	6.5
67.05163	0.5
67.05495	7.1
69.07045	1.4
71.04998	0.5
71.07374	2.9
73.78977	0.3
79.05138	0.3
79.05484	4.3
81.03397	0.3
81.07050	4.2
83.04952	0.3
83.08624	1.0
83.66875	0.3
85.06518	0.6
86.09692	31.3
87.10022	0.7
90.12893	0.3
91.05473	2.0
93.07037	4.5
95.04972	0.4
95.08588	2.9
95.86211	0.3
97.06504	0.6
97.10161	0.6
98.20699	0.6
98.98447	3.1
104.10734	2.0
105.07014	0.9
107.08591	2.7
109.10145	3.3
117.06998	0.5
119.08532	1.2
121.10138	1.7
124.99989	20.0
131.08525	0.7
133.10106	1.0
135.11678	3.2
137.09576	0.5
145.10103	1.2
147.11754	0.4
163.11169	0.5
173.11708	0.7
181.12198	0.9
184.07318	100.0
185.07619	1.7
193.73831	0.3
229.14305	1.9
255.15884	2.7
261.22009	0.6
273.16873	3.0
335.25775	4.6
336.26373	0.4
489.35626	6.0
490.35477	0.5
515.37164	1.1
522.04163	0.5
533.38519	3.4
534.38367	0.5
730.46423	4.0
760.23883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.7
56.05016	0.5
57.03415	1.4
57.07035	0.5
60.07872	0.5
60.08154	6.6
61.02898	0.6
65.03913	0.5
67.05498	10.7
69.07059	2.2
71.04974	0.9
71.07365	2.9
73.35007	0.4
73.63477	0.4
79.05484	5.7
81.03368	0.5
81.07050	5.8
83.04975	1.0
83.08602	0.5
85.02857	0.3
86.09694	29.8
87.10010	0.6
90.88979	0.4
91.05476	2.9
92.28029	0.4
93.07027	5.8
95.04955	0.6
95.08606	4.0
97.06506	1.2
98.98444	3.2
99.08109	0.6
104.10757	2.1
105.07008	1.2
107.08586	3.4
108.82048	0.4
109.06542	0.4
109.10143	4.6
117.07005	1.1
119.08590	1.9
121.10125	2.3
124.99988	20.7
128.64883	0.4
130.07767	0.4
131.08545	0.7
133.10100	1.0
135.11659	4.4
137.09605	0.6
145.10095	1.2
159.11769	0.5
161.13249	0.5
163.11142	0.6
173.11690	0.9
173.13182	0.7
181.12163	1.1
184.07315	100.0
185.07689	1.8
208.42088	0.4
229.14346	3.0
243.21169	0.4
255.15831	2.4
261.22122	0.9
273.16907	4.3
335.25729	5.1
489.35681	7.2
490.36301	0.6
515.37073	1.3
533.38361	3.8
698.43536	0.5
730.46429	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	731.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70662	0.3
60.95849	0.4
69.53593	1.6
69.54010	0.9
80.25153	0.3
89.03899	1.3
98.20709	0.4
107.04980	0.5
117.03356	1.5
127.37991	0.3
128.68324	0.3
135.04364	2.3
136.04742	0.6
137.10608	0.4
145.02826	2.0
146.03214	0.6
146.99406	0.4
163.02509	0.7
163.03896	15.1
164.04199	2.3
165.04526	0.4
179.03235	0.4
185.02084	1.0
197.04219	1.5
215.05199	3.2
218.73175	0.3
221.02972	1.4
239.03905	0.6
255.01917	0.5
256.48514	0.3
259.01297	0.7
271.04575	0.7
359.07275	1.4
376.07504	0.8
376.57571	0.7
377.08405	100.0
378.08609	2.2
395.08707	0.7
430.76801	0.4
539.11053	0.6
557.12872	0.3
575.12244	0.4
690.61731	0.3
695.15533	0.8
713.16803	2.2
731.17834	5.6
744.44440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53271	2.1
75.53889	0.2
89.03873	0.7
104.59498	0.3
117.03369	0.6
135.04393	1.2
137.95020	0.3
145.02815	1.0
163.02512	0.5
163.03871	8.3
164.04158	1.3
171.53305	0.3
179.03159	0.6
185.02020	1.3
197.04237	0.7
215.05226	3.4
221.02922	0.9
239.04112	0.3
271.04541	0.5
314.77124	0.3
331.07336	0.4
348.00589	0.3
359.07419	1.0
376.07446	0.4
376.57184	0.4
377.08362	100.0
378.08585	2.8
395.53372	0.3
511.12317	0.4
522.35931	0.3
525.15967	0.3
539.10767	0.5
557.11749	0.4
575.12274	0.3
619.89014	0.3
705.58850	0.3
713.16138	0.5
731.17523	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	731.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
57.03435	2.4
57.07056	0.7
61.02921	6.4
67.05498	5.8
69.03414	2.9
69.07072	0.7
73.02909	4.1
79.05489	2.8
81.03407	1.6
81.07059	4.6
83.08594	1.4
85.02879	4.1
91.03940	3.8
91.05498	2.0
93.07034	4.7
95.08613	4.3
97.02879	5.3
101.02356	1.6
105.07040	1.3
106.30175	0.7
107.08585	2.6
109.02882	0.9
109.10150	1.5
121.10146	1.8
127.03908	1.4
133.10129	1.3
135.11726	0.9
144.46829	0.8
149.13281	1.2
159.11655	0.8
174.32768	0.7
178.10358	0.7
203.65710	0.8
235.13097	0.7
243.08386	1.3
282.64804	0.7
335.25888	0.7
453.20926	5.0
477.10123	0.8
519.29114	5.9
520.29370	0.7
594.89862	0.8
601.92340	0.8
719.31732	0.9
731.43311	100.0
732.43481	4.3
763.54309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	34.9
69.03387	2.5
71.53462	3.9
73.02899	3.3
74.97577	3.3
75.24360	3.0
84.96020	10.1
85.02876	6.1
91.36090	2.7
92.02474	3.1
97.02883	4.3
98.97560	41.8
102.97048	3.2
106.67587	2.7
110.97547	11.6
114.66708	3.0
115.92057	2.9
116.98591	34.4
119.01876	4.2
124.99086	3.8
127.00628	3.3
127.03800	3.0
128.98587	21.9
131.00130	4.3
134.99644	8.1
135.04419	4.9
140.98521	7.2
143.00150	18.2
145.01743	4.8
145.02759	4.6
146.99635	26.5
149.01218	3.3
155.01884	6.3
158.99667	16.0
159.03223	5.9
161.01180	30.9
161.72670	3.3
163.03854	41.1
165.00655	7.1
170.99625	24.3
173.01483	2.8
173.02960	11.2
175.02708	4.1
177.00679	23.6
179.02208	6.9
182.99646	9.8
185.01207	10.2
185.02899	4.3
187.02745	8.3
189.00693	41.3
196.15639	3.1
197.02942	3.0
201.00696	39.0
203.02325	16.8
205.03799	4.5
207.01706	7.0
209.01181	3.5
211.02846	4.6
213.00642	19.3
218.99759	5.8
219.01707	48.9
221.03220	10.8
231.01692	22.2
237.00798	19.5
237.02728	24.3
243.01717	12.6
245.05017	8.9
247.04829	3.9
249.02794	14.5
254.03404	3.3
255.01703	69.3
255.03786	3.8
261.02811	54.0
273.02762	92.9
275.06296	4.4
279.03922	33.1
281.07190	3.9
291.04062	16.7
297.02591	7.1
305.07135	6.0
321.04919	22.4
323.04288	8.6
327.03702	4.3
333.05228	3.5
349.05896	5.1
351.06302	5.0
363.05316	3.0
365.05136	5.8
369.05563	3.5
381.05295	5.9
386.56168	3.9
387.05890	5.2
393.04517	16.9
399.06552	8.9
411.05905	31.5
423.08090	34.9
429.06961	27.9
453.06952	100.0
465.06870	10.5
471.08258	17.3
483.08078	31.5
494.09109	6.2
509.10284	3.3
513.08984	6.5
537.09796	5.5
555.10516	38.1
556.10529	4.5
561.11157	10.5
573.10779	7.3
735.16400	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.6
55.01878	11.7
55.05497	31.5
57.03427	13.2
57.07058	5.3
61.02919	6.7
65.03941	6.9
67.05496	85.2
69.03405	17.3
69.07079	26.2
71.04984	12.0
71.53559	5.1
71.53992	7.5
74.83972	4.3
79.05483	91.4
81.03407	35.2
81.07047	100.0
83.04964	22.8
83.08604	15.1
83.69644	4.6
85.02889	15.6
91.05474	80.3
93.07032	78.2
95.04935	26.0
95.08598	51.9
97.02862	14.1
97.06512	20.7
97.10184	7.4
105.04498	5.0
105.07018	79.5
107.04950	16.3
107.08598	32.8
109.02869	7.0
109.06495	12.9
109.10139	19.9
111.08076	7.5
113.05867	4.1
115.05442	7.9
117.06999	20.7
118.72993	4.7
119.08579	44.9
121.10140	16.3
123.08057	15.1
125.09552	7.3
127.03907	11.8
128.06157	7.8
129.06990	18.7
131.08549	29.2
133.10094	34.0
135.08052	6.7
135.11674	13.1
137.09645	6.7
141.07047	5.9
143.08505	11.9
145.10152	27.9
147.07959	8.0
147.11653	39.4
149.09579	14.8
157.10100	9.2
159.08072	6.4
159.11708	15.4
161.09540	7.2
161.13254	11.5
163.11171	8.8
169.10110	8.6
171.11655	23.5
173.04428	10.3
177.12613	6.2
184.07220	7.3
189.12767	8.0
199.11206	5.5
207.13806	18.0
214.13182	4.6
238.02682	5.3
257.19073	8.7
275.20023	61.5
281.17545	53.4
331.41068	6.2
331.73718	4.8
349.23709	21.2
428.08798	5.6
475.30450	31.3
537.35687	5.8
555.36957	48.6
573.37317	15.0
619.35059	9.0
621.64648	6.0
717.41394	5.7
735.41278	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	736.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74142	2.4
53.03926	9.6
55.01853	10.9
55.05508	30.5
57.03429	19.7
63.65226	2.4
67.05161	3.9
67.05495	57.2
69.03415	10.6
69.07060	15.5
71.04980	9.6
72.21720	2.2
77.03916	3.0
79.05058	4.0
79.05480	59.2
81.03409	100.0
81.07053	49.8
82.03741	2.6
83.01323	3.1
83.04971	21.3
83.08610	31.2
85.02905	21.0
87.04447	2.6
87.90224	2.3
91.05470	53.4
93.07042	49.5
95.04967	41.5
95.08590	22.4
97.02871	12.7
97.06528	13.6
97.10178	11.8
97.91222	2.8
99.04460	6.6
99.08047	3.9
103.05459	3.8
105.07029	32.6
107.04948	26.7
107.08579	24.4
109.02839	8.3
109.06502	13.5
109.10129	20.0
111.04443	12.2
111.08070	11.0
113.06017	3.5
115.05419	5.2
117.07009	17.0
119.08575	30.5
121.02798	3.2
121.06474	6.9
121.10132	18.5
123.08053	10.3
124.58218	3.1
125.05964	3.4
125.09613	8.0
127.03870	10.2
129.06996	17.7
131.04922	3.2
131.08542	20.0
133.10088	18.8
135.08035	7.8
135.11688	14.4
137.09433	2.6
143.08551	3.7
145.06490	3.0
145.10098	19.2
146.85265	2.4
146.92963	2.7
147.08052	5.3
147.11668	16.5
149.09624	7.8
151.11130	2.9
153.12724	6.1
155.08556	3.5
157.10182	15.1
159.11722	6.3
161.13272	4.8
163.11169	22.1
165.12787	2.8
171.11658	3.8
173.09593	4.4
173.11716	6.3
175.11172	10.6
181.12199	7.8
189.11156	4.1
191.10629	4.3
193.12221	32.5
207.13725	4.1
209.11700	13.0
211.13269	32.1
223.13258	10.2
227.12773	16.3
229.14288	21.7
229.70132	3.4
249.14948	2.8
263.16504	2.5
265.14270	9.0
267.15903	39.5
268.16071	3.5
275.20276	4.1
281.17453	7.9
283.15338	24.1
285.16992	21.3
290.50714	2.8
291.19498	5.8
297.16858	9.2
312.56802	2.5
317.17197	3.2
347.22095	3.3
353.16092	3.8
365.22791	2.5
383.22174	3.0
397.23416	3.5
401.23221	3.4
406.83325	2.8
421.25705	21.7
427.19669	19.6
429.21289	7.5
457.25699	9.0
471.27203	4.6
475.26776	26.4
476.26999	4.2
489.28384	20.3
493.27911	82.5
494.28183	5.6
507.29492	8.1
608.41571	2.9
619.30511	7.8
637.32129	31.8
638.32947	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	737.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.9
55.01868	19.7
55.05272	4.0
55.05510	59.9
56.35731	3.4
57.03435	20.2
57.07071	2.6
61.02904	7.8
61.81554	2.6
65.03946	5.5
65.68231	2.2
67.05500	83.5
69.03417	30.7
69.07068	31.6
71.04994	14.1
71.05330	2.5
71.53059	3.1
71.53490	3.0
73.02872	4.1
75.81106	2.2
79.05486	76.6
81.03413	100.0
81.07044	84.9
83.04980	37.0
83.08612	43.2
85.02897	28.0
85.06537	6.2
91.03947	2.5
91.05473	76.8
93.07030	68.5
93.53522	2.7
95.04956	49.6
95.08591	42.4
97.02888	32.7
97.06516	19.4
97.10159	44.1
99.04428	8.7
103.05452	2.8
105.07024	57.2
106.07350	3.3
107.04939	27.3
107.08587	42.9
109.02882	16.3
109.06541	18.8
109.10147	26.4
111.04436	15.8
111.08054	12.6
115.05478	6.6
117.07006	26.4
119.04936	4.8
119.08562	57.2
121.06518	16.0
121.10135	26.6
123.04411	6.4
123.08070	21.6
123.11678	9.6
125.05988	4.1
125.09629	30.2
127.03896	18.8
128.06165	3.5
129.05498	5.6
129.06993	22.1
131.08559	33.1
133.06464	9.8
133.10124	24.9
135.08023	8.4
135.11682	11.8
137.09596	7.9
141.07016	5.8
142.07780	5.4
143.08516	12.3
145.06464	5.2
145.10112	25.9
147.08046	19.3
147.11685	25.6
149.05946	2.9
149.09589	17.7
149.13232	5.6
151.11148	5.6
153.09071	7.6
153.12733	3.5
155.08490	7.7
157.10136	22.1
159.08015	5.5
159.11690	10.9
161.09604	10.3
163.11130	16.9
165.09160	7.1
165.12708	4.9
167.08482	2.9
169.10097	6.4
171.08051	4.6
171.11652	7.2
173.04390	5.3
173.09641	4.0
173.13199	4.4
175.11148	19.7
177.12695	3.4
180.96848	2.6
181.12265	5.1
183.11749	7.1
185.09607	7.2
185.13254	5.7
187.11081	4.7
189.11234	20.4
189.12695	5.1
191.10733	4.6
193.12216	33.7
205.12268	4.7
211.13264	49.8
211.15123	2.1
213.12822	3.4
223.13266	14.3
226.70584	3.0
227.12741	32.9
233.15279	4.7
237.16681	3.1
245.19072	3.9
247.52823	2.8
249.14839	7.8
260.63992	2.9
267.15887	24.5
273.18460	43.5
275.20044	10.6
283.15332	5.9
285.16821	18.8
291.19531	96.3
291.22836	4.6
292.19800	5.5
313.21561	5.5
347.22122	10.5
349.23770	3.7
365.23169	30.7
375.17749	2.8
421.63229	3.2
429.21063	10.4
435.23520	4.6
437.25003	3.7
474.25851	2.8
477.28574	6.9
495.29257	3.8
517.35132	3.2
528.37402	5.9
539.33441	8.2
543.36597	7.2
557.34637	44.8
575.35571	45.5
701.38159	4.8
719.39740	27.4
737.41193	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	737.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80761	1.3
53.03933	3.1
55.01846	4.6
55.05505	17.4
57.03429	9.1
57.07056	3.1
59.04984	4.0
59.44954	1.2
61.22987	1.4
65.03927	3.8
65.32257	1.2
67.05498	100.0
69.03397	4.6
69.07059	10.3
70.41343	1.2
71.04970	5.1
71.56647	1.6
71.57051	2.0
73.02951	1.3
79.05486	28.6
81.03407	8.6
81.06559	2.2
81.07047	41.4
83.04974	4.0
83.08607	11.6
85.02897	3.3
85.06515	3.8
90.25791	1.1
91.04944	2.4
91.05471	27.8
93.07033	25.7
95.01324	18.1
95.04955	5.8
95.08598	23.8
97.02896	3.1
97.06527	4.9
97.10145	4.4
105.07023	21.1
107.04910	4.9
107.08591	16.2
109.06471	2.4
109.10143	75.7
111.08064	4.0
113.02370	3.0
117.06997	8.2
118.73198	1.2
119.08565	19.3
121.06451	1.5
121.10133	11.5
123.04366	2.0
123.11672	4.0
125.02323	1.6
125.09624	5.5
127.03857	1.3
128.06197	2.5
129.05482	1.8
129.06975	6.2
131.04880	2.3
131.08546	14.4
133.06454	4.4
133.10106	9.6
135.11641	6.4
137.05896	1.4
137.09593	3.9
137.13297	1.5
141.06944	3.1
142.07765	1.8
143.08530	5.4
145.06473	5.8
145.10123	10.1
147.08083	2.7
147.11716	9.0
149.13229	3.9
151.03876	2.9
151.07608	1.4
155.08551	4.8
155.10698	2.4
157.10088	3.9
159.08110	2.0
159.11662	5.0
161.09586	1.8
161.13290	3.4
163.14871	2.3
169.10089	2.9
171.08038	1.3
171.11632	3.8
173.09521	1.8
173.11707	26.0
173.13231	6.4
175.11096	1.9
175.14825	2.3
183.11681	4.4
184.07417	3.0
185.09584	1.9
185.13211	3.0
187.11072	1.7
187.14783	3.2
189.11154	2.2
189.12677	2.1
197.13271	1.6
199.11082	1.5
199.14804	2.6
200.11528	1.3
201.09058	1.6
201.12840	1.4
209.09747	1.7
211.14757	1.7
213.12624	1.6
229.12086	2.8
229.14319	55.4
233.15494	1.7
259.20389	1.8
261.22073	5.6
275.20050	1.9
277.21530	2.1
299.23590	3.6
303.23035	1.5
309.22021	1.6
317.24677	1.4
327.23111	6.5
329.24664	3.2
335.25620	4.3
337.21826	1.8
345.24207	3.0
355.22684	4.6
373.23444	2.5
401.26569	1.6
423.27542	2.0
473.24969	1.8
476.47910	1.5
489.35529	5.6
543.36597	2.0
583.35901	1.6
626.06415	1.5
685.02386	1.4
719.39600	3.8
737.41394	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	737.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.5
55.01852	15.4
55.05505	37.8
57.03431	28.4
59.04987	6.1
59.27710	5.3
61.02917	10.5
65.03922	6.1
67.05500	87.7
69.03413	29.9
69.07057	27.5
69.65572	6.6
71.04977	23.6
73.02888	12.1
79.05493	75.9
81.03416	100.0
81.07048	86.2
83.04967	23.8
83.08613	29.4
85.02884	30.3
85.06516	6.0
87.04430	8.5
90.20831	4.7
91.03937	9.2
91.05470	71.7
93.07039	56.2
94.07361	6.7
95.04948	56.9
95.08620	36.8
95.28033	5.3
97.02875	32.3
97.06519	23.3
97.10162	19.7
99.04427	10.4
99.08074	23.1
105.07018	63.4
107.04922	31.0
107.08589	40.3
109.02903	11.9
109.06501	28.1
109.10121	29.1
111.04420	18.6
111.08057	16.8
115.07555	11.0
117.06985	24.0
119.08568	46.2
121.06487	17.1
121.10151	26.7
123.04332	7.9
123.08030	13.8
123.11733	6.1
125.09592	12.1
127.03902	11.7
127.07484	10.1
128.06165	7.2
129.05470	6.7
129.06985	20.2
131.08536	31.4
133.06491	13.0
133.10141	27.7
135.08034	14.2
135.11679	11.8
142.07738	6.3
143.08517	12.4
145.06435	9.5
145.10094	27.1
147.08032	12.6
147.11685	21.3
149.09584	17.6
155.08560	6.9
157.10112	19.7
159.08044	10.0
159.11700	8.2
161.09593	12.1
163.11168	14.2
173.09573	6.2
173.13245	10.0
175.11165	17.7
183.11717	7.5
185.09592	9.2
189.11191	14.9
191.10728	9.3
193.12209	35.4
199.11313	5.2
209.11699	10.1
211.13300	21.1
217.15970	6.0
219.13844	7.4
227.12648	12.3
267.15842	46.3
269.17212	6.5
273.18570	25.0
275.20035	13.7
283.15427	20.4
285.16803	8.0
291.19638	30.3
315.19473	5.4
327.47455	5.7
347.21912	9.4
359.91119	5.7
365.23373	10.4
433.25851	5.9
437.25391	11.2
443.28372	6.5
447.28497	9.0
459.27347	24.2
461.28836	6.5
465.30038	7.6
477.28268	25.8
517.31250	6.7
539.33380	15.9
557.34674	36.8
575.35791	48.7
576.35791	8.9
719.39465	14.5
737.40393	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	737.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44253	2.1
53.03947	10.1
55.01874	10.1
55.05248	2.5
55.05503	37.7
57.03436	17.8
57.07067	3.6
59.04983	4.1
61.02916	29.2
65.03905	7.7
67.05495	71.5
68.05877	2.3
69.03417	22.1
69.07056	24.2
70.34112	2.0
71.04981	15.2
71.31121	4.7
73.02906	11.4
77.03941	1.8
79.05485	49.8
81.03410	36.2
81.07048	76.4
83.04955	12.9
83.08604	23.7
85.02469	2.7
85.02898	29.2
85.06509	5.2
87.04482	2.6
91.03954	11.4
91.05466	54.8
93.06454	2.9
93.07030	50.7
95.04946	18.6
95.08588	50.1
97.02878	21.9
97.06517	11.7
97.10138	21.4
98.50472	2.0
99.04434	3.0
99.08059	5.4
101.02332	4.0
103.05467	2.4
105.06356	3.6
105.07014	51.9
107.04979	13.0
107.08581	32.0
109.02851	5.6
109.06528	11.8
109.10151	22.0
111.04390	4.8
111.08047	8.8
115.05463	4.6
117.07008	24.5
117.69816	2.3
119.04902	2.1
119.08569	36.3
121.06493	7.9
121.10127	23.7
123.04383	3.0
123.08030	9.6
123.11668	5.2
125.09604	18.7
127.03875	8.0
128.06192	4.7
129.05455	4.1
129.06993	23.3
130.07732	2.2
131.08542	36.6
133.06462	6.9
133.10100	30.4
135.08037	11.7
135.11665	9.7
137.09590	5.5
138.54012	2.1
141.06970	9.3
142.07756	7.4
143.08546	20.7
145.06496	3.4
145.10120	31.5
147.07994	9.9
147.11681	16.7
149.09578	10.3
149.13202	4.2
151.11128	5.6
153.06903	2.0
153.09038	2.0
155.08551	15.4
156.09294	3.4
157.10106	29.2
159.08011	5.6
159.11670	23.6
161.09593	9.4
161.13248	7.9
163.11143	7.6
165.09082	2.9
165.12697	4.8
167.08514	8.3
167.10588	2.1
168.09250	3.8
169.10164	14.9
171.08104	2.4
171.11656	19.5
173.09579	6.8
173.13179	13.8
175.11145	8.3
177.12770	2.4
179.08534	3.9
181.10109	8.3
183.11668	14.2
184.99104	1.9
185.09596	4.9
185.13232	13.5
187.11122	5.6
187.14766	4.9
189.11182	8.3
189.12692	2.4
193.10086	4.6
193.12238	11.0
195.11711	12.7
195.13515	2.5
197.13211	10.1
199.11168	4.6
199.13075	3.4
199.14789	5.8
201.12730	2.6
203.14233	4.8
207.11682	4.7
209.13327	12.8
211.13216	11.0
211.14877	5.1
213.16301	2.1
217.15955	4.3
219.11829	3.1
223.14757	7.3
225.16449	2.9
227.12677	15.9
227.17874	2.5
229.14207	3.9
231.17513	2.1
233.15344	2.5
237.16351	4.5
245.19012	3.0
250.27606	2.7
253.14299	3.5
255.17360	2.5
259.20560	2.0
263.20181	4.1
265.19427	3.1
267.15887	9.5
271.16748	2.2
273.18546	16.3
275.19916	3.4
281.18671	2.6
283.20609	4.7
285.16812	3.3
285.22202	4.9
287.19986	2.7
291.19507	21.1
297.18338	2.2
297.22055	4.7
299.20331	4.2
299.23425	9.6
301.21515	7.3
311.20020	2.6
325.21588	3.0
327.23004	3.0
329.21091	2.8
347.22220	3.3
351.22955	3.2
353.24478	2.8
365.23093	12.3
415.29663	6.0
421.25662	3.9
433.30963	18.9
443.27725	5.3
443.66901	2.4
451.31915	17.0
469.32883	5.1
471.31824	3.0
489.33466	4.4
499.33667	5.1
507.34366	9.9
517.35132	32.0
525.35693	80.0
526.35925	3.9
539.37109	2.5
543.36749	100.0
544.37433	4.3
557.38849	23.3
558.37659	2.3
575.39771	33.5
679.40454	3.5
687.40002	3.7
705.41553	5.3
719.39954	10.2
737.42419	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	738.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.8
53.03929	5.5
55.01863	4.7
55.05505	17.2
57.03431	15.3
57.07054	1.6
59.05004	1.7
59.88668	1.4
61.02937	2.2
62.10357	1.4
64.64761	1.5
67.05162	2.3
67.05494	26.1
69.03414	3.8
69.07051	5.8
69.15192	1.6
71.04977	4.6
71.53306	2.2
73.02898	1.7
79.05495	22.6
81.03410	83.6
81.07050	25.3
83.04950	9.3
83.08612	24.8
85.02896	5.2
85.06547	1.9
90.72006	1.4
91.05472	34.2
93.07037	24.6
94.77253	1.5
95.04952	24.6
95.08607	12.8
97.02869	8.3
97.06531	4.5
97.10149	9.8
97.48723	1.6
99.00809	11.9
105.06374	2.5
105.07026	24.0
107.04952	16.1
107.08579	14.5
109.02872	11.8
109.06506	7.2
109.10147	6.0
111.04427	5.3
111.08067	10.3
113.05984	1.5
117.06997	5.5
119.08569	18.3
121.06516	9.2
121.10117	10.7
123.04403	3.1
123.08031	3.7
123.11703	1.5
125.09619	9.4
127.03888	4.5
128.06172	2.5
129.06989	10.3
131.08569	11.4
131.54153	1.7
133.06436	5.5
133.10123	34.7
135.08032	4.4
135.11633	3.5
137.09607	2.9
139.07579	2.0
142.07771	2.4
143.08563	7.3
145.06505	2.4
145.10098	5.0
147.08022	5.0
147.11644	8.0
149.09583	5.6
151.11159	9.1
153.09192	1.8
157.10104	9.4
159.11682	1.9
161.09615	18.0
163.11118	4.7
171.08009	4.0
175.11220	7.8
179.10660	6.6
189.09094	10.4
189.11147	4.5
193.12251	23.3
197.11732	3.7
207.10098	3.4
209.11723	4.7
211.13318	4.3
219.13802	8.9
223.13324	1.7
225.11124	11.0
227.12674	3.9
267.15894	100.0
281.13797	6.1
283.15417	9.5
285.16962	6.2
299.14865	67.7
299.18311	3.2
301.16467	2.4
367.22726	3.2
385.23770	3.8
400.10895	1.8
403.24353	1.7
432.02902	1.6
445.26062	8.3
459.27429	22.6
463.26770	6.7
473.25317	27.5
477.28455	15.6
478.28632	2.3
491.26306	94.5
492.26743	4.3
503.76462	2.1
509.27432	5.2
533.27209	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	738.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01865	3.3
55.05251	1.7
55.05503	18.4
57.03431	16.7
59.78630	1.2
65.03909	2.3
67.05155	2.3
67.05495	34.8
69.03424	6.9
69.07058	9.5
69.24931	14.3
71.04989	8.5
73.64944	1.1
79.05486	35.7
81.03410	100.0
81.07050	39.1
82.03737	2.1
83.04472	1.3
83.04976	23.1
83.08612	31.0
85.02416	1.8
85.02897	27.1
85.06514	2.5
86.09711	2.1
90.15862	1.2
91.05471	52.9
93.07033	25.6
94.07332	1.5
95.04958	40.1
95.08592	14.8
97.02885	8.3
97.06503	5.5
97.10157	6.4
99.04441	1.2
99.08041	2.1
105.07021	35.9
107.04946	11.5
107.08591	10.0
109.02862	3.4
109.06526	8.5
109.10152	4.5
111.04439	5.9
111.08054	14.0
113.05997	3.3
115.05413	3.1
117.06990	4.8
119.08565	28.4
121.06499	2.0
121.10136	13.4
123.08053	4.5
123.11706	3.2
125.09608	3.5
127.03889	2.3
129.06987	17.9
131.08546	17.5
133.06451	4.6
133.10112	23.7
135.08009	2.5
137.09596	2.8
142.07721	3.5
145.10080	4.7
147.08084	5.8
147.11673	22.9
149.09573	9.5
151.11159	2.6
155.08525	1.4
157.10118	21.2
161.09607	2.1
163.11203	1.9
165.12750	4.6
175.11171	24.8
184.07321	5.6
191.10573	1.3
193.12227	60.2
211.13277	66.4
212.13606	1.2
227.12755	2.8
267.15894	81.4
268.16245	1.6
273.14880	2.2
283.15414	1.5
285.16953	41.8
285.20120	2.3
299.14908	5.0
301.14236	1.5
349.21484	1.5
355.17572	2.1
367.22577	4.6
385.23608	6.5
403.24701	3.0
411.19980	2.0
429.21075	10.0
433.25748	5.3
441.26218	2.8
445.25674	2.5
459.27350	55.1
460.27484	3.0
477.28400	47.3
491.26212	4.3
495.29514	60.8
496.30246	1.4
601.93475	1.3
621.32324	3.5
639.33716	20.9
671.75610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.6
58.06346	0.2
58.06630	0.4
59.07382	0.1
60.08155	5.1
65.99213	0.1
70.75504	0.3
71.07363	2.6
71.08630	0.1
75.38047	0.1
81.03410	0.2
83.08575	0.1
85.14002	0.1
86.09693	26.4
87.10043	0.2
93.07024	0.1
95.04961	0.1
95.08597	0.1
98.98452	2.6
104.10730	2.0
107.14565	0.1
124.99986	17.0
143.01027	0.2
184.07315	100.0
185.07663	1.1
237.92010	0.1
313.27283	0.1
496.34097	0.1
505.38504	0.1
621.20355	0.1
688.45343	6.9
689.44940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01854	1.2
55.05259	1.1
55.05507	12.9
57.03437	1.6
57.07063	2.2
61.58122	0.8
65.03933	2.6
67.05499	58.6
69.07061	14.8
70.96723	1.7
70.97066	1.3
71.04963	1.2
79.05487	34.1
81.07050	55.2
83.04945	1.6
83.08611	7.3
85.06565	0.8
91.05473	20.0
93.07037	33.7
95.04957	3.7
95.08602	35.3
97.06529	2.1
97.10131	2.1
98.06040	1.7
105.07027	10.1
107.04873	1.0
107.08590	13.5
109.06520	1.3
109.10155	13.7
111.08064	1.0
117.07022	3.3
117.83377	1.1
119.08554	7.2
121.10140	12.4
123.11677	4.2
131.08589	4.0
133.10129	5.5
133.85797	0.8
135.11688	5.7
137.13242	1.8
145.10188	2.1
147.11700	3.1
149.13268	2.1
159.11697	1.9
161.13283	2.1
163.14822	1.1
173.13269	0.9
175.14877	1.0
259.49329	1.1
259.52036	0.8
261.22272	1.1
263.23721	2.8
304.26389	4.9
306.27856	6.9
317.24664	1.1
335.25882	2.5
337.27567	2.5
343.48767	0.7
380.46069	0.8
499.18326	0.9
597.48730	100.0
598.49390	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	739.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	19.5
55.01858	11.7
55.05502	33.4
57.03425	18.9
61.02915	8.7
65.03920	6.5
67.05490	83.4
69.02470	6.4
69.03417	27.7
69.07060	26.2
70.21535	30.8
71.04987	7.6
73.02904	9.6
79.05482	54.4
81.03406	76.3
81.07047	100.0
83.04980	29.5
83.08624	29.9
85.02905	25.7
85.06506	6.6
87.61751	6.1
91.05469	95.4
93.07040	68.8
95.04971	39.7
95.08611	45.4
97.02888	18.1
97.06529	15.1
97.10133	9.8
99.08072	7.2
105.07016	76.3
107.04951	17.0
107.08585	35.1
108.31177	5.1
109.02860	9.6
109.06524	17.5
109.10143	21.3
111.04457	7.4
111.08086	7.6
117.07001	14.7
119.08580	49.0
121.06541	10.3
121.10115	31.3
123.08048	11.3
125.09609	11.3
129.07013	16.1
131.08540	37.7
133.06462	8.1
133.10112	54.1
135.11717	9.5
137.09657	6.5
142.56003	6.4
143.08527	14.0
143.27475	6.2
145.10168	29.1
147.08058	10.3
147.11687	28.3
149.09634	12.9
149.13280	13.1
151.11180	10.4
155.08594	6.3
157.10110	20.9
159.11676	14.1
161.09618	6.3
163.11115	7.2
171.11646	11.8
173.04492	8.6
173.13275	11.3
175.11205	11.5
183.11746	7.1
191.14398	6.7
193.12273	33.7
211.13260	62.4
253.14325	9.7
257.19101	7.2
259.20636	5.9
267.15787	37.0
269.17392	16.4
273.18637	11.2
275.20053	51.1
285.16931	35.7
310.88043	7.1
328.36270	7.0
349.23734	24.0
479.30096	11.2
541.35010	25.4
559.36096	34.9
577.37317	27.7
577.56677	6.5
635.27612	7.0
686.73059	6.6
739.41614	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	739.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	12.2
55.01850	18.6
55.05506	36.8
57.03418	16.2
57.07066	4.4
61.02904	12.3
64.66346	3.7
65.03929	8.5
67.05493	72.9
69.03407	16.3
69.07062	22.6
71.04973	11.9
71.53671	8.0
73.02929	4.5
75.94326	3.8
79.05059	5.6
79.05483	65.5
81.03403	66.3
81.07040	100.0
83.04961	24.0
83.08607	27.2
85.02901	29.2
85.06545	4.5
87.99931	3.8
91.03892	5.1
91.04958	7.0
91.05470	80.0
93.07027	49.3
95.04964	34.2
95.08592	41.3
97.02880	19.1
97.06506	20.4
97.10164	11.3
99.04498	4.3
99.08104	4.5
103.05441	4.3
105.04455	4.8
105.07014	67.0
107.04934	25.7
107.08578	38.5
109.02837	7.9
109.06493	16.4
109.10126	21.5
111.08033	9.9
115.05430	5.2
117.07019	22.2
119.08574	52.6
121.06517	8.6
121.10127	23.1
123.08060	9.9
123.11711	6.3
125.09579	7.3
127.03879	9.0
129.05432	6.4
129.06993	22.8
131.08517	33.3
133.06520	6.7
133.10112	44.1
135.08040	8.4
135.11646	12.5
137.09604	10.5
142.07762	6.0
143.08496	8.6
145.10092	20.4
147.08002	6.8
147.11665	30.3
149.09608	21.6
149.13263	4.9
151.11168	5.9
155.08527	7.2
157.10139	18.9
159.11678	16.7
161.09550	5.7
161.13123	3.8
163.11165	14.2
164.48334	4.0
169.10098	9.7
171.11592	7.7
173.09511	4.1
173.13269	8.8
175.11174	12.2
181.12303	4.8
184.07236	7.6
185.13272	6.4
189.11246	4.4
193.12245	28.5
195.13736	6.2
197.13184	4.9
211.13243	50.4
227.12753	12.8
257.18936	13.2
267.15842	33.5
269.17346	8.1
273.18323	4.5
275.17191	7.1
275.20016	67.2
285.16882	34.1
293.21237	7.1
300.79749	4.0
349.23648	40.6
429.21503	3.9
461.28873	5.9
466.43655	5.1
479.29858	13.1
541.34985	18.2
541.64893	4.4
559.36279	38.2
577.37036	28.8
623.33630	5.8
721.40826	6.5
739.40503	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	740.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01859	0.7
55.05504	5.6
57.03429	5.1
57.68506	0.4
59.05001	0.5
65.03914	0.8
66.34039	0.4
67.05494	18.5
69.03424	1.2
69.07052	3.7
70.47315	1.0
70.47663	1.5
71.04631	0.7
71.04983	7.9
71.26553	0.5
79.05484	10.2
81.03413	16.8
81.07047	25.1
82.07378	0.5
83.04968	2.6
83.08604	7.2
85.06532	2.6
91.05465	11.5
93.07028	8.1
95.04956	9.7
95.08604	5.1
97.02866	1.2
97.06512	2.0
97.10143	3.8
99.08067	0.6
102.81676	0.5
105.03386	0.6
105.04502	0.5
105.07023	8.0
106.36131	0.5
107.04939	6.2
107.08578	7.0
109.06506	5.0
109.10141	4.0
111.04404	0.6
111.08064	2.3
115.05428	0.9
117.06971	3.0
119.08565	5.4
120.33830	0.4
121.06490	5.9
121.10148	4.5
123.08080	2.1
123.11693	4.0
125.09631	2.6
129.07025	3.1
131.04913	0.7
131.08556	7.0
133.06476	2.0
133.10120	6.6
135.08025	1.8
135.11700	1.9
135.44955	0.4
137.09586	0.6
141.06956	0.8
143.08554	1.7
145.06480	1.7
145.10059	2.8
147.08029	1.8
147.11684	3.0
149.09592	2.3
149.13237	0.9
151.11157	2.0
155.08582	1.1
157.10124	3.2
159.08078	0.9
159.11678	2.1
161.09583	0.5
163.11127	2.7
165.12703	0.8
169.10078	0.9
171.08144	0.9
171.10243	0.7
171.11736	1.5
173.04575	0.5
173.09607	0.7
173.11830	0.6
173.13203	2.4
175.11208	2.6
177.12691	1.3
181.10161	0.6
183.11636	0.7
183.13722	0.9
185.13293	1.4
187.13258	1.0
189.11203	1.0
189.12802	0.8
189.16289	0.6
191.14331	2.2
193.12212	3.7
199.11177	0.6
199.14777	0.6
201.12747	0.8
203.14279	0.8
205.10220	0.6
205.12163	0.8
211.13240	0.7
213.12799	0.6
217.15836	1.4
219.13728	2.9
221.15318	0.6
223.13196	0.7
227.12706	0.9
231.13852	0.5
249.14786	1.0
256.81390	0.5
257.17560	1.3
263.16360	0.6
267.15866	8.4
269.17508	1.6
273.18552	0.6
275.16382	0.8
289.62399	0.6
301.19940	4.7
315.23157	0.9
325.21524	1.1
343.22748	3.3
351.23218	1.0
353.25006	0.7
361.24396	0.6
369.24152	2.5
371.25854	0.7
385.73181	0.5
387.25327	0.7
407.25925	1.1
417.25967	3.1
425.26993	1.6
435.27377	15.9
436.27722	0.8
443.27765	8.7
461.28940	100.0
462.29327	4.4
475.30450	1.1
485.28745	0.7
493.31506	5.6
601.33893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.11476	0.6
55.01632	0.7
55.01864	8.5
55.05503	21.8
57.03431	13.8
57.07049	1.9
58.86667	0.5
59.04960	1.9
61.02919	5.9
65.03906	1.8
67.05496	46.5
69.03413	3.0
69.06719	0.9
69.07059	13.2
69.32203	3.7
69.32623	2.1
69.48698	0.5
71.01321	1.6
71.04983	4.1
71.08591	1.2
73.02869	1.7
79.05482	40.5
80.05807	1.1
81.03410	11.0
81.07043	54.3
82.07351	0.6
83.01331	7.0
83.04972	9.4
83.08147	0.7
83.08602	12.0
84.08916	0.6
85.02888	7.0
85.06502	2.0
91.03920	2.4
91.05466	22.8
93.07030	52.2
95.04949	9.2
95.08595	39.2
97.02875	4.8
97.06500	4.8
97.10147	3.7
99.04416	2.4
103.05427	1.5
105.06305	0.6
105.07013	17.8
107.04945	6.7
107.08581	28.3
109.06510	5.7
109.10134	14.7
111.04415	2.0
111.08035	2.5
115.05442	0.9
117.06997	10.2
119.08562	15.2
121.06522	3.0
121.10133	22.5
121.11003	1.2
121.37386	0.6
122.10448	1.3
123.08070	5.6
123.11711	5.3
125.05949	1.8
125.09594	3.8
129.06934	2.4
130.07761	1.8
131.08554	9.3
133.10106	8.5
135.08022	2.0
135.10672	1.1
135.11671	18.5
137.09575	1.6
137.13220	0.9
139.07542	0.8
139.11180	0.7
143.08559	1.5
145.10106	17.9
145.11272	1.0
147.08032	1.7
147.11679	5.0
149.13242	6.9
151.11208	0.8
153.12663	3.3
155.08504	2.0
157.10121	1.5
159.11656	6.1
161.13239	4.1
163.09833	1.3
163.11160	19.4
163.14809	1.4
171.11635	0.9
173.09584	3.6
173.13214	4.1
175.14815	1.6
181.12231	3.1
184.07326	2.0
185.13211	1.4
187.14806	3.0
189.11241	1.4
189.16344	0.7
191.10629	2.3
193.12218	1.1
197.13014	0.7
199.14830	0.9
201.16400	1.1
209.11668	6.5
227.12708	9.7
243.21057	6.0
259.20590	1.6
261.22107	16.3
267.15802	1.2
279.23264	1.3
283.15359	90.4
284.15610	3.1
285.16721	0.6
299.23618	4.0
317.24707	6.3
333.24460	1.1
335.25745	100.0
336.26138	4.6
355.26373	0.6
423.32468	0.7
433.30777	1.3
451.31714	3.9
469.32938	2.1
488.80716	0.7
515.36346	0.9
516.33997	0.9
525.35663	3.6
543.36749	67.6
544.36823	5.9
561.37781	2.0
599.50079	2.6
687.10425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.14647	0.5
55.01860	2.7
55.05504	13.3
57.03430	10.7
57.07035	2.4
61.02905	1.1
65.03911	2.1
67.05495	42.4
68.43507	0.5
69.03397	1.9
69.07059	14.0
69.29620	5.9
71.04999	2.8
73.02881	1.5
79.05482	40.4
80.05814	0.6
81.03391	2.0
81.07046	44.9
82.07355	1.1
83.04967	4.4
83.08610	11.4
85.02878	1.3
85.06497	1.2
91.05464	16.1
93.07033	56.3
94.07331	0.7
94.30502	0.5
95.04957	7.5
95.08594	59.6
96.08859	0.8
97.02883	4.2
97.06514	3.8
97.10103	1.2
99.04448	4.5
99.08093	0.6
103.05459	1.0
105.07022	13.4
107.04945	9.2
107.08581	35.5
108.08881	0.7
109.06520	2.8
109.10143	12.8
111.04392	1.9
111.08041	1.7
113.05951	0.9
115.05433	0.6
117.06189	0.7
117.06998	10.0
119.08568	16.1
121.06487	6.8
121.10126	22.6
123.08054	1.1
123.11700	2.7
125.06004	3.8
129.06943	0.7
130.07715	1.9
131.08568	4.2
133.10114	6.9
135.08012	2.1
135.11676	56.0
136.12001	1.3
137.13214	0.8
139.07474	1.6
143.08540	0.9
145.06372	0.7
145.10098	30.9
146.10486	1.0
147.11629	2.2
149.13269	3.0
153.12686	1.3
155.08482	0.6
159.11668	1.8
161.13223	1.9
163.11162	66.4
163.14796	2.4
164.11514	1.3
173.09572	1.0
173.13168	2.1
175.14757	0.8
181.12206	10.9
186.54475	0.5
187.14792	0.8
209.11670	1.6
227.12753	89.5
228.13063	2.2
243.20999	2.4
261.22113	7.7
283.15359	100.0
283.72467	0.6
284.15781	4.1
317.24646	2.9
335.25751	91.2
336.26160	5.0
426.38510	0.6
431.63474	0.6
469.33301	0.8
477.96927	0.5
543.36749	84.1
544.37164	8.2
648.11377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77846	0.4
53.03902	2.0
55.01866	3.5
55.05502	14.0
55.49280	0.5
57.03428	9.1
57.07030	1.5
60.73131	0.6
61.02883	1.1
65.03891	1.6
67.05495	45.8
67.05841	1.7
68.05793	0.9
69.03378	1.8
69.05901	0.5
69.07057	12.3
71.04993	2.4
73.02861	1.8
77.03878	0.5
79.05482	38.0
80.05772	0.5
81.03376	1.3
81.07044	47.0
81.07724	1.3
83.04974	3.8
83.08614	9.7
85.02829	1.5
85.06499	1.1
86.09669	0.5
91.05466	15.8
93.07032	51.9
94.07289	0.5
95.04954	6.8
95.08593	52.0
96.08875	1.2
97.02878	3.3
97.06526	3.9
97.10145	2.3
99.04424	3.4
103.05408	0.7
105.04469	0.7
105.07014	13.3
107.04942	6.0
107.08579	33.4
108.91090	0.5
109.06445	2.1
109.10143	12.6
111.04399	0.9
111.08007	1.6
113.06000	0.6
113.09581	0.7
117.06225	0.6
117.07001	9.1
119.08564	13.5
121.06487	3.9
121.10126	20.0
123.08010	0.8
123.11634	2.0
125.05951	2.3
127.07490	0.6
129.07024	0.9
130.07721	1.2
131.08548	5.3
133.10110	6.1
135.07985	2.0
135.11670	42.1
136.11954	1.0
137.13190	1.0
139.07455	1.5
139.11154	0.8
143.08487	1.1
145.06424	0.6
145.10103	22.4
146.10527	0.8
147.11671	2.7
149.09578	0.5
149.13211	2.6
159.11668	2.8
161.13182	1.9
163.11157	49.6
163.14760	1.5
164.11400	0.9
173.09468	0.6
173.13206	2.5
175.14673	0.8
177.12787	0.8
181.12204	6.9
184.07344	1.0
187.14839	1.1
209.11604	0.8
216.42592	0.5
227.12749	56.4
228.12981	1.2
233.22626	0.6
243.21005	2.2
261.22083	6.8
283.15359	49.5
284.15674	1.7
317.24725	1.5
335.25745	100.0
336.26157	4.6
437.96237	0.5
440.98553	0.5
543.36749	73.9
544.37079	5.0
649.60413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.01864	1.8
55.05517	6.6
57.03428	11.3
59.04982	2.1
61.02916	1.7
67.05486	2.4
69.03430	18.3
70.33758	1.3
70.94479	3.5
71.04987	79.3
72.16798	1.4
73.02910	10.5
73.13388	1.2
75.04465	5.2
75.54314	1.1
83.04973	24.7
85.02898	100.0
87.04445	3.0
95.04968	5.8
97.02896	1.7
99.04438	4.2
103.03938	2.1
105.07031	1.6
109.02885	2.1
111.04425	20.2
113.05978	4.6
117.05500	7.9
121.11952	1.2
125.06002	1.9
127.03875	2.0
129.05461	33.1
137.02324	14.3
137.06001	1.9
139.03900	1.5
144.65491	1.4
147.06519	8.3
149.02380	1.7
153.01797	4.4
153.05449	6.5
157.04984	2.3
159.06493	1.5
163.03882	2.5
163.06021	8.4
165.01758	1.6
171.06566	3.0
183.06621	1.4
201.05406	2.6
201.07486	2.8
213.07469	1.8
221.07938	1.5
229.04967	4.2
239.09212	7.9
257.04425	2.3
257.10150	3.6
275.11243	4.3
287.05399	2.6
299.05511	4.6
302.04190	2.2
303.04971	85.1
313.07095	1.3
315.05008	23.2
316.05618	2.5
327.04959	8.8
329.06406	3.0
339.05231	2.4
341.06540	5.1
345.06024	47.5
346.06488	1.4
353.06577	2.3
357.06128	2.3
367.08063	3.0
369.06012	15.8
371.07639	1.9
377.07162	1.5
395.07538	10.2
412.38889	1.3
413.08606	27.2
431.09808	17.4
437.08777	2.0
449.10782	46.6
455.09964	2.0
473.10538	2.7
491.11957	2.9
535.52802	1.8
541.13422	3.2
559.14532	1.9
577.16071	2.6
595.16595	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77229	2.7
53.94268	2.5
55.01860	5.1
55.05499	5.0
59.56239	2.9
65.03928	12.6
67.05499	20.3
69.03413	13.0
71.56113	3.6
71.56495	4.2
83.04967	60.1
85.02881	25.4
89.03872	3.6
90.18499	2.7
93.03390	34.9
95.04944	5.6
99.00783	6.1
107.04896	2.9
111.04438	100.0
115.03909	3.4
117.03381	5.2
118.74910	3.0
121.02844	20.2
123.04408	11.5
124.53701	3.0
129.05460	48.5
133.17212	2.8
135.04359	12.9
135.49876	2.8
137.02299	3.8
139.02892	5.7
139.03891	68.1
145.02823	6.6
157.04953	55.8
163.03885	61.4
164.04265	3.5
175.05997	67.9
179.03369	7.1
181.06483	5.4
187.03818	2.9
192.25905	3.2
203.03366	6.4
205.06448	14.3
209.05956	3.4
221.05971	7.1
223.07631	17.9
233.05890	13.6
249.05431	4.8
251.07054	44.9
260.70972	2.7
261.05435	6.7
267.06598	4.5
269.08020	25.2
273.06030	48.3
279.06522	55.8
283.06021	3.7
295.05991	26.0
297.07578	49.5
303.05045	13.4
307.06027	17.8
307.09439	2.8
313.07013	10.2
325.07004	46.5
341.06345	13.0
343.07990	13.2
447.11493	24.8
499.12372	52.0
515.11493	5.7
517.13257	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	742.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.1
55.05505	0.3
55.29857	0.1
56.05030	0.7
57.03436	0.3
58.06631	0.6
59.07387	0.1
60.08157	5.3
67.05496	0.9
69.07066	0.2
69.44512	1.2
70.06560	0.2
71.04993	0.1
71.07365	2.8
79.05502	0.8
81.03407	1.5
81.07050	0.6
83.04971	0.2
83.08625	0.2
85.02892	0.2
85.06502	0.1
86.09696	29.9
87.10022	0.3
91.05474	0.9
93.07042	0.7
93.87671	0.1
95.04965	0.8
95.08600	0.4
97.06544	0.1
98.98450	2.8
104.10743	1.8
105.07030	0.4
107.04961	0.3
107.08598	0.3
109.10174	0.3
111.08091	0.2
119.08564	0.6
121.10123	0.3
124.99992	19.3
129.07007	0.3
131.08546	0.3
133.10127	0.5
135.07974	0.2
143.01015	0.4
145.06514	0.1
145.10130	0.2
147.11705	0.2
149.09598	0.3
150.28488	0.1
157.10114	0.3
157.91690	0.1
161.63232	0.1
163.11073	0.2
165.12720	0.2
174.84673	0.1
175.11162	0.3
184.07318	100.0
185.07664	0.9
193.12228	0.5
209.11623	0.1
227.12724	0.2
229.14598	0.1
267.15884	0.8
283.15314	0.2
285.16873	0.3
296.12589	0.1
301.16641	0.1
385.23697	0.3
459.27267	1.9
477.28143	1.4
495.29022	0.2
642.33942	12.7
643.33820	0.7
755.56274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38823	0.8
55.01860	3.2
55.05500	14.7
57.03433	9.9
65.03925	2.2
67.05496	21.6
69.03410	3.9
69.07058	6.3
70.01881	0.8
71.04979	5.1
79.05486	25.8
81.03408	48.4
81.07049	18.9
83.04974	5.7
83.08605	15.2
85.02897	2.8
85.06534	2.4
86.09663	1.1
91.04942	1.6
91.05472	19.8
93.07032	19.9
95.04958	23.4
95.08602	8.9
97.02876	1.3
97.06507	3.4
97.10156	15.8
98.20649	1.3
103.05457	0.9
105.07015	14.1
107.04945	18.3
107.08590	13.1
109.06507	15.7
109.10145	5.8
111.04443	1.5
111.08061	5.3
113.05984	1.2
115.05453	1.8
117.06987	3.9
118.87590	1.0
119.04950	1.1
119.08575	12.7
121.06496	13.7
121.10110	14.2
123.04397	1.5
123.08015	6.6
123.11684	1.1
125.05929	1.2
125.09622	13.9
129.07008	8.5
131.04880	2.1
131.08560	12.5
133.06491	3.9
133.10097	6.5
135.08011	7.1
135.11662	3.0
137.06020	1.3
137.09644	2.0
139.11154	3.3
141.06979	1.7
142.07770	1.0
143.08562	1.8
145.06502	6.3
145.10100	5.5
147.04402	1.2
147.08067	5.6
147.11699	7.5
149.09578	7.4
153.09067	2.5
155.08575	2.0
157.06448	1.8
157.10109	8.4
159.08063	1.9
159.11658	1.8
161.09581	1.3
163.11179	4.8
165.12732	2.2
167.10689	1.3
171.08026	2.0
171.11658	1.7
173.09630	1.6
173.13252	3.6
175.07423	1.0
175.11153	8.6
177.12685	2.2
184.07317	1.7
185.13225	1.3
187.11154	1.6
187.14767	1.2
189.09131	1.3
189.11232	7.1
189.12685	1.3
191.14301	4.3
193.12227	15.4
195.11653	1.6
197.09683	1.1
197.13214	1.1
199.11223	2.1
201.12714	1.7
203.14282	1.1
205.12186	2.3
211.13237	2.7
213.12747	2.4
215.14246	1.6
217.12262	1.2
219.13748	11.8
223.11246	1.0
223.13258	1.9
227.12694	3.0
231.13780	2.2
233.15338	3.7
237.12665	1.2
237.14903	1.8
241.14357	1.3
243.13834	1.1
249.14870	2.3
255.13815	1.9
259.13190	1.7
259.15411	8.2
267.15891	39.2
268.16263	1.3
273.14700	5.6
275.16229	1.1
293.17453	7.5
339.23279	1.6
349.21561	4.0
357.24002	2.2
367.22632	14.8
368.23132	0.8
385.23706	23.0
403.24759	10.2
423.25406	1.3
433.25677	1.0
441.26328	7.3
451.26752	5.2
459.27377	100.0
460.27499	2.4
477.28427	92.9
478.28607	1.2
491.30066	8.6
495.29446	7.2
501.28262	1.7
509.31116	2.7
567.29132	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01856	4.7
55.05508	18.1
57.03425	8.6
61.02900	1.7
61.23199	1.6
67.05495	39.4
69.03413	9.0
69.07058	24.2
71.01342	2.0
71.04972	5.1
71.56893	2.5
79.05053	2.3
79.05484	36.3
81.03397	5.1
81.07051	25.4
83.04967	8.9
83.08612	8.0
85.02897	2.5
85.06525	3.3
86.09691	11.7
91.05457	19.5
93.06455	2.2
93.07028	35.8
95.04957	9.7
95.08589	11.7
97.02873	7.3
97.06549	10.1
97.10159	11.3
102.12524	1.7
105.07027	10.7
105.12288	1.6
107.04938	6.0
107.08583	25.4
108.76545	1.7
109.06496	3.3
109.10141	10.1
111.08032	1.9
117.06992	5.5
119.08577	13.3
121.06454	3.0
121.10151	9.8
123.08015	3.6
124.99992	6.1
125.09593	7.8
129.06961	2.8
131.08554	5.6
133.06425	3.5
133.10083	7.1
135.08052	3.5
135.11674	30.9
137.09529	1.8
143.08566	3.2
145.10136	10.9
147.08057	3.6
147.11681	4.7
153.12650	2.3
157.10059	4.0
161.09569	2.1
163.11150	6.5
175.11116	4.2
177.12709	2.4
181.12265	8.4
184.07295	34.0
189.11159	3.2
223.13252	11.7
227.12750	4.0
249.14986	3.1
255.15868	54.4
259.16937	2.0
273.18475	13.2
291.19513	92.1
292.19864	4.5
319.14792	1.8
365.23178	32.2
447.26984	2.5
465.27991	2.3
504.85678	1.8
527.34705	2.2
545.34656	100.0
546.34918	7.8
669.42218	2.1
742.42456	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	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01863	2.4
55.05254	1.2
55.05502	14.7
57.03433	9.1
57.07066	1.1
59.04983	1.0
61.02894	2.1
65.03924	1.2
67.05498	41.8
69.03410	3.5
69.07057	9.3
71.04974	3.5
76.24774	0.8
77.03892	0.9
79.05048	1.9
79.05485	27.1
81.03407	37.6
81.07044	42.1
83.04971	9.1
83.08125	1.2
83.08608	18.3
85.02890	16.0
85.06550	1.6
91.05469	21.9
93.06449	1.5
93.07032	29.7
95.04363	1.0
95.04964	15.3
95.08597	27.8
97.02870	2.5
97.06507	3.5
97.10139	3.7
98.21544	1.6
99.68041	0.9
105.07023	16.9
105.93753	0.9
107.04928	3.4
107.08578	14.0
109.06500	3.4
109.10134	10.4
111.04411	2.3
111.08047	4.7
113.06013	1.7
117.07010	3.3
119.08563	15.6
121.10124	15.3
121.63158	0.8
123.08070	2.1
123.11654	2.8
129.06966	6.4
131.08553	9.5
133.06520	1.4
133.10103	9.6
135.11690	7.0
137.09604	1.4
137.13297	1.0
142.07668	0.9
145.10118	4.5
147.07999	1.7
147.11667	10.2
149.09653	4.4
149.13242	2.5
157.10118	7.3
159.11646	1.9
161.13277	2.7
163.11200	1.0
163.14801	1.1
165.12694	1.5
173.13232	2.5
175.11185	8.0
187.14816	1.4
193.12230	28.8
211.13252	36.0
212.13687	0.9
227.12773	1.3
229.65257	1.1
243.21045	1.8
261.22025	6.2
267.15900	8.2
283.15396	1.2
285.16940	35.7
311.52249	0.9
317.24564	1.6
335.25751	59.0
336.25903	2.9
337.26849	1.3
435.32590	1.0
453.33929	1.0
527.37225	6.1
545.38300	100.0
546.38568	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	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01855	2.5
55.05504	17.6
57.03177	1.1
57.03434	12.2
57.07071	0.9
61.02903	2.4
65.03941	2.1
67.05498	44.5
69.03418	3.0
69.06715	1.2
69.07056	12.6
71.04985	3.4
75.46898	0.9
79.05485	30.5
81.03410	45.2
81.07047	40.8
83.04969	11.8
83.08607	19.1
85.02412	1.6
85.02896	17.5
85.06511	1.8
91.03954	1.1
91.05467	26.2
93.07034	32.3
94.07354	1.0
95.04955	19.3
95.08591	24.3
97.02866	2.8
97.06500	3.5
97.10183	4.6
98.21506	1.9
99.08089	1.5
105.07019	20.2
107.04948	3.2
107.08591	15.5
109.06509	3.9
109.10138	11.0
111.04433	2.1
111.08054	7.1
113.06020	1.8
117.07001	2.4
119.08568	16.4
121.10134	16.1
123.08035	2.2
123.11702	2.7
125.09610	1.3
129.06984	6.6
131.08572	11.8
133.06496	1.5
133.10115	11.3
135.11662	6.3
137.09648	1.6
137.13258	1.0
142.07785	1.5
145.10106	3.3
147.08018	1.9
147.11679	11.3
149.09595	4.0
149.13199	2.6
151.11147	0.9
157.10132	9.2
159.11688	2.7
161.13263	2.8
163.11197	1.0
163.14842	1.2
165.12741	3.1
167.91667	0.8
173.13249	2.0
175.11154	11.6
193.10400	1.1
193.12216	30.7
211.13263	47.6
212.13557	1.4
258.61768	0.8
261.21982	4.6
267.15814	8.7
285.16931	40.5
286.17249	1.2
335.25766	47.2
336.25989	1.7
341.84677	1.0
345.92151	0.8
421.96246	0.8
434.74167	0.9
435.32709	1.2
453.33688	1.1
527.37061	7.5
545.38306	100.0
546.38367	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	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
54.33745	0.9
55.01855	3.5
55.05255	1.9
55.05500	22.8
55.45755	1.0
57.03176	1.6
57.03429	19.7
57.07060	1.6
61.02908	4.9
62.06833	1.0
65.03915	2.1
67.05494	61.3
69.03407	5.0
69.07056	15.4
70.71701	2.9
71.05000	5.7
73.02881	2.3
74.28214	1.1
79.05482	48.1
81.03406	57.7
81.07044	61.9
83.04969	16.9
83.08604	25.9
85.02415	2.0
85.02892	27.1
85.06517	3.0
91.03941	1.8
91.05470	43.3
93.07025	45.7
93.07613	2.5
95.04955	26.2
95.08598	41.5
97.02876	5.8
97.06512	4.7
97.10130	4.9
99.08060	2.6
105.07008	29.8
106.07368	1.3
107.04944	6.2
107.08573	22.3
109.06506	5.9
109.10143	13.8
111.04407	1.4
111.08064	9.8
113.05963	1.9
115.05365	2.3
117.06982	5.0
119.08563	24.3
121.06480	1.6
121.10122	20.0
123.08008	3.1
123.11685	7.0
125.09615	2.4
127.07528	1.5
129.06982	11.2
131.08551	16.5
133.06479	2.5
133.10109	14.9
135.11662	8.0
137.09589	3.0
142.07764	3.0
145.10110	6.9
147.08028	3.9
147.11665	17.7
149.09601	5.7
149.13217	4.8
157.10112	13.4
159.11668	3.7
161.13226	2.6
163.11140	1.5
163.14844	1.2
165.12723	3.7
173.13232	3.9
175.11172	14.3
179.82196	1.3
187.14790	2.7
193.12210	50.5
198.00449	1.2
211.13258	82.6
212.13559	1.9
243.21017	2.9
261.22012	11.8
267.15842	14.6
285.16925	86.3
286.17038	1.8
317.24606	3.3
335.25739	85.3
336.26135	2.9
396.44354	1.4
404.49344	1.3
435.32214	2.5
453.33829	1.5
527.37280	14.3
545.38287	100.0
546.38806	6.9
678.97815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.4
55.01855	2.5
55.05503	26.1
56.05808	1.0
57.03432	19.3
57.07059	2.7
61.02916	5.4
65.03925	3.9
67.05496	65.8
69.03432	6.8
69.07060	18.2
71.04976	4.7
71.08927	2.1
73.02897	1.9
79.05484	54.4
80.05815	2.5
81.03408	54.5
81.07044	63.1
83.04963	15.6
83.08607	20.0
85.02418	2.1
85.02892	25.8
85.06509	2.8
91.03938	2.3
91.05467	44.0
93.07031	49.1
94.07329	1.4
95.04951	23.7
95.08595	44.5
97.02879	5.7
97.06535	5.7
97.10152	5.2
105.07013	29.8
107.04952	7.5
107.08582	20.4
109.06482	4.5
109.10155	14.5
111.08076	9.1
113.05998	1.6
115.05390	1.6
117.06995	5.7
119.08566	24.9
121.06480	1.4
121.10132	20.2
123.08040	4.3
123.11675	5.0
123.68510	1.2
125.09579	1.7
129.06984	9.5
131.08554	19.1
133.06474	1.9
133.10115	15.2
133.26094	1.3
135.11652	8.2
137.09624	1.6
142.07771	3.4
145.10146	7.1
147.08054	4.0
147.11685	15.2
149.09573	4.8
149.13232	7.0
151.11131	1.3
157.10139	11.1
159.11717	3.4
161.13205	3.1
163.14783	1.8
165.12669	3.0
173.13240	4.2
175.11150	10.9
175.14880	1.4
177.12579	1.4
187.14754	1.7
193.12230	35.2
194.12405	1.6
198.20781	1.0
211.13260	51.1
211.15262	2.9
212.13448	1.6
243.21092	3.7
261.22165	9.6
267.15884	15.0
285.16925	55.0
286.17267	1.9
317.24774	2.9
335.25757	94.6
336.26154	3.4
427.13843	1.2
442.48367	1.4
447.94147	1.4
453.33429	2.3
527.37305	13.6
528.37628	1.4
545.38300	100.0
546.38672	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	743.2016
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
51.92207	0.2
53.03909	0.2
54.23464	0.2
55.01873	0.3
55.05496	0.2
55.70590	0.2
57.03428	3.1
59.55334	0.2
61.02917	1.7
62.23874	0.2
67.76748	0.3
68.99777	0.4
69.03426	2.0
70.72523	0.6
70.72863	0.3
71.01334	0.4
71.04985	9.1
73.02910	2.7
75.04457	0.6
81.03420	0.4
83.04965	2.0
85.02896	15.2
87.04437	0.4
91.03925	0.9
97.02891	4.3
99.04441	0.4
100.88091	0.3
102.83241	0.2
103.03956	0.5
109.02868	0.7
111.00780	0.8
111.03740	0.2
111.04392	1.3
113.02370	0.3
115.03902	1.9
119.38213	0.3
121.02850	0.7
123.04456	0.4
127.03909	1.0
129.04582	0.4
129.05469	4.5
137.02335	2.3
139.03891	0.3
140.36407	0.2
144.26169	0.3
145.04947	0.6
147.06502	2.3
149.02344	0.5
153.01820	2.9
157.04913	0.2
163.03943	0.3
163.06017	0.8
165.01797	1.2
173.06001	0.3
183.02927	0.4
201.05396	1.4
205.04779	0.3
219.06514	0.3
225.07523	1.6
228.04070	0.3
229.04947	3.0
243.08458	0.3
247.05965	0.5
257.04443	2.4
274.04663	0.7
279.10834	0.4
285.04062	1.1
303.04962	100.0
304.05356	2.3
315.04919	0.7
345.05960	1.1
351.27197	0.2
369.06006	0.4
447.09149	0.3
449.10641	0.3
465.10437	2.1
586.50012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01859	6.2
55.05509	15.4
57.03428	13.5
61.02913	2.3
61.83348	1.6
64.95782	1.7
65.03921	2.4
67.05495	65.0
69.03408	3.4
69.07061	20.4
70.82217	1.9
71.01337	3.5
71.04967	5.3
71.05634	4.1
74.94289	1.7
79.05482	52.8
81.03415	10.0
81.07047	45.6
83.04978	11.7
83.08611	7.9
85.02866	5.0
85.06541	3.8
86.09698	15.4
91.05466	30.7
93.07032	66.9
95.04963	8.7
95.08601	18.7
97.02858	2.4
97.06514	17.4
97.10139	10.3
99.08086	4.2
105.07013	17.6
107.04928	3.1
107.08577	44.9
109.06483	3.1
109.10147	8.3
111.08063	5.0
117.07000	12.9
119.08567	13.5
121.06484	3.5
121.10120	13.8
123.11665	2.1
125.00006	8.4
125.09624	2.0
129.06993	2.7
131.08549	11.5
133.10109	12.4
135.08070	2.6
135.11664	47.4
137.09612	3.2
145.10123	17.7
147.11665	3.6
149.09589	5.3
149.13196	7.6
151.11095	2.3
153.12717	4.0
157.10031	1.9
159.11723	10.1
163.11127	10.0
169.10124	1.6
173.04456	2.8
173.13216	3.3
177.12759	3.0
181.12202	10.8
184.07315	46.4
195.13828	4.2
227.12791	2.5
229.19296	1.8
255.15877	69.9
256.16077	2.9
257.19003	3.2
269.17429	15.0
272.09802	2.1
275.20074	16.8
349.23682	8.4
435.27338	20.4
449.28949	100.0
450.29318	3.5
496.82642	2.0
529.35181	20.5
547.36139	6.6
593.32678	2.3
679.58893	2.0
744.43866	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01856	4.4
55.05506	18.0
57.03429	16.3
57.07055	2.5
60.08150	3.8
65.03918	3.2
67.05496	59.0
69.03403	3.5
69.07058	20.9
71.01340	3.0
71.04972	5.5
71.56799	2.3
73.02902	1.9
77.03920	1.5
79.05482	51.6
81.03406	10.6
81.07043	53.9
83.04963	14.1
83.08602	10.8
85.02888	4.8
85.06513	4.3
86.09705	11.4
87.47235	1.8
91.05467	26.7
93.06448	3.0
93.07026	60.9
95.04964	8.2
95.08583	20.5
97.02874	1.8
97.06512	17.4
97.10154	11.3
97.57950	1.4
98.98450	1.6
99.04478	1.8
99.08047	3.4
102.75046	1.5
105.07020	18.4
107.04943	5.7
107.08581	38.0
109.06506	4.3
109.10121	9.3
111.08053	3.7
117.07001	11.6
119.08556	13.6
121.06470	4.1
121.10111	14.2
123.08009	2.8
123.11694	2.6
124.99992	9.6
125.09580	3.0
127.47520	1.3
129.06975	2.7
131.08531	11.1
133.10126	14.9
135.08035	3.9
135.11670	45.3
137.09593	3.8
141.06868	1.5
143.08603	1.5
145.10088	17.4
147.11650	4.7
149.09534	7.0
149.13246	8.7
151.11095	2.3
157.10135	2.4
159.11644	9.3
161.13182	2.1
163.11186	9.8
165.12556	1.5
169.10075	2.1
171.11702	2.1
172.74365	1.4
173.04404	1.8
173.13283	2.9
177.12747	2.0
181.12206	10.3
184.07304	33.2
185.13235	1.5
195.10857	1.6
195.13780	4.1
199.13292	2.2
213.14896	1.6
227.12556	2.2
247.20467	1.9
255.15878	63.9
257.18948	5.1
269.17435	18.1
275.20007	17.4
349.23749	11.0
367.24591	2.7
399.26385	1.7
435.27408	23.4
449.28925	100.0
450.29187	5.0
529.35077	19.3
547.35950	5.3
593.32776	2.1
622.53137	1.5
643.01978	1.9
744.43994	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	744.488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79965	0.6
53.03942	2.3
55.01847	1.5
55.05504	13.9
57.03427	8.2
57.07070	2.2
58.44610	0.6
59.04985	3.0
59.28965	0.7
61.02928	3.5
65.03933	2.8
67.05495	99.3
68.05833	1.8
69.03423	2.1
69.06713	1.2
69.07060	13.5
69.80907	4.0
71.04985	20.5
73.99337	0.7
79.05480	33.9
81.03426	2.0
81.07044	41.3
83.04966	5.0
83.08611	8.2
85.02883	3.3
85.06546	3.4
91.03932	1.1
91.05468	25.2
93.07030	41.9
94.07357	1.2
95.04966	3.9
95.08593	33.0
97.02861	1.4
97.06516	4.2
97.10174	2.1
99.08093	1.9
105.07014	11.9
107.04955	1.2
107.08579	22.0
109.06484	1.4
109.10139	66.8
110.10482	0.9
111.08067	3.5
113.09617	0.7
117.06990	4.8
119.08558	15.6
121.06486	0.6
121.10120	16.8
123.08045	1.1
123.11700	1.8
129.07007	0.9
131.08546	7.2
133.10106	7.4
135.08105	1.1
135.11668	17.1
137.09589	8.9
137.13251	0.8
139.11119	0.9
143.08632	0.8
145.10110	7.5
147.11650	4.0
149.13260	2.5
153.12659	0.9
155.10689	1.9
157.10031	0.6
159.11732	3.1
159.51132	0.7
161.13263	2.8
163.11185	2.6
165.12836	0.8
169.12187	1.2
171.11813	1.0
173.11737	8.6
173.13264	2.9
175.14821	1.3
181.12280	1.3
183.11676	0.8
184.07343	1.6
185.13303	0.8
186.80630	0.7
187.13286	1.5
187.14853	1.9
189.16486	0.7
199.13222	0.7
213.14847	1.1
229.14372	1.3
240.56898	0.6
243.15944	2.7
243.20940	0.8
255.15889	5.4
259.20599	1.3
261.22098	3.8
287.18491	19.4
317.24884	1.1
323.56854	0.8
335.25751	30.0
336.26279	1.0
342.35550	0.6
369.39279	0.6
379.29596	1.2
397.30902	1.8
471.34753	3.5
489.35678	100.0
490.36032	6.8
503.37198	4.0
515.37207	10.8
516.37701	0.8
533.38080	0.8
547.39868	77.9
548.40210	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	744.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01859	2.6
55.05503	20.9
55.17034	1.5
57.03433	13.4
57.07065	4.4
61.02917	3.8
67.05161	3.7
67.05500	58.2
69.03407	2.3
69.07058	19.8
71.04975	4.3
71.08627	1.9
71.57214	1.6
71.57715	3.5
79.05484	29.2
81.03408	37.9
81.07050	52.6
82.07343	2.3
83.04976	8.5
83.08614	20.3
85.02901	16.9
85.06530	2.7
86.09684	1.9
91.05473	27.8
93.07033	24.0
95.04951	12.5
95.08594	37.5
96.08950	2.0
97.02885	3.6
97.06506	4.6
97.10154	6.2
105.07011	16.4
107.04930	3.9
107.08595	11.6
109.06499	2.9
109.10147	18.8
111.08072	5.4
117.07005	2.6
119.08576	16.5
121.10130	10.5
123.08069	2.1
123.11708	5.6
125.09606	2.7
128.09215	1.6
129.06975	6.8
131.08548	6.8
133.10112	11.7
135.11682	6.8
137.09583	2.9
145.10040	2.0
147.07991	2.1
147.11671	14.1
148.24115	1.5
149.09595	4.7
149.13266	2.3
151.11169	1.7
157.10123	7.9
161.13196	2.3
173.11771	2.0
175.11150	4.8
175.14754	1.7
184.07272	5.8
189.16522	1.9
193.12227	24.3
211.13275	32.4
249.15154	1.8
263.23709	3.7
267.15842	13.1
285.16925	45.6
286.17218	3.9
287.18439	2.1
328.50015	1.6
335.25729	5.9
336.26089	2.4
337.27313	71.1
338.27756	3.1
457.06931	1.9
489.35779	13.0
503.37128	2.0
529.38904	12.2
546.38995	1.7
547.39850	100.0
548.40436	9.8
565.33508	2.0
575.15210	2.0
709.17462	1.9
732.60992	1.7
745.40887	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	744.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.3
55.01863	2.9
55.05502	19.6
57.03428	14.4
59.04981	1.4
61.02917	4.6
65.03924	1.7
67.05495	53.8
69.03405	2.6
69.07061	17.4
69.40099	9.2
69.40504	2.6
71.04972	6.6
73.02885	1.7
79.05037	2.3
79.05478	28.9
80.05750	1.4
81.03408	41.7
81.07046	47.1
83.04970	9.1
83.08607	18.9
85.02893	16.1
85.06543	1.4
85.79270	1.4
86.09697	3.0
91.05473	28.6
93.07034	21.8
95.04955	14.4
95.08591	37.6
97.02892	2.9
97.06519	5.2
97.10163	4.4
105.07024	18.8
107.04949	5.3
107.08589	13.4
109.06496	4.0
109.10154	16.9
111.08032	7.1
115.05463	1.3
117.06984	3.1
119.08564	17.5
121.10130	11.7
123.08018	3.8
123.11694	6.2
125.09585	2.1
128.93306	1.3
129.07018	6.8
131.08568	8.8
133.06477	1.9
133.10085	10.4
135.11681	4.7
137.09589	2.9
142.07730	2.6
145.10065	2.7
147.08025	1.6
147.11624	11.6
149.09576	4.1
157.10124	9.6
165.12720	2.3
175.11099	9.0
184.07301	6.6
193.12209	33.8
211.13264	51.8
211.15230	2.9
245.22858	2.0
263.23611	3.2
267.15952	12.6
285.16925	59.9
286.17130	2.5
287.18350	3.5
317.08673	1.8
335.25885	6.7
337.27304	56.4
338.27655	1.9
489.35699	13.7
515.37177	2.7
529.38788	8.5
547.39899	100.0
548.40009	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	745.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05492	1.8
57.03423	2.0
61.02919	4.5
67.05163	0.5
67.05499	5.3
69.03423	2.7
69.07055	1.2
70.71696	1.3
71.04974	1.1
73.02899	3.2
79.05483	4.0
81.03404	1.6
81.07047	5.4
82.07362	0.4
83.04975	0.5
83.08607	1.1
85.02889	3.5
86.09695	1.4
91.03951	2.5
91.05465	2.8
93.07039	6.0
95.04993	0.8
95.08599	5.7
97.02859	2.7
99.04426	0.7
101.02377	2.2
105.07037	1.7
107.04955	0.9
107.08593	4.0
107.58994	0.4
109.02843	0.7
109.10153	1.5
117.06982	0.5
118.50470	0.4
119.08556	1.9
121.10117	2.3
125.00053	0.4
127.03905	1.5
131.08594	0.9
133.10129	1.2
135.11676	3.8
145.10078	2.2
149.13347	0.6
163.11182	4.4
177.95479	0.4
181.12221	0.7
184.07361	2.7
185.04207	0.4
186.10052	0.4
203.05183	0.5
215.31323	0.4
219.09993	0.9
227.12782	3.5
229.35051	0.4
238.33278	0.4
243.08360	2.5
249.10934	8.7
305.13599	1.9
335.25809	1.1
336.26141	0.5
337.26505	0.5
442.27145	0.4
467.18826	11.2
467.25275	0.7
468.19214	0.5
490.36212	0.5
519.29138	5.3
546.38770	0.6
548.39758	1.6
637.38458	0.4
745.41156	100.0
746.41284	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01868	0.5
55.05493	1.7
57.03439	2.0
58.55724	0.4
60.08157	1.1
61.02921	5.8
67.05494	6.4
68.88824	0.4
69.03425	3.3
69.07061	1.1
71.01347	0.8
71.04970	0.9
71.07354	0.8
71.54414	0.6
73.02909	4.4
75.88758	0.3
78.93983	0.4
79.05489	5.2
81.03406	2.3
81.07048	6.6
83.08611	1.1
85.02893	5.6
86.09702	5.0
87.10033	0.8
90.05235	0.4
91.03941	3.6
91.05465	2.4
93.07040	6.4
95.04969	0.6
95.08594	5.5
95.29512	0.4
97.02888	5.4
97.06537	0.6
98.98479	1.0
99.04437	0.7
101.02383	1.7
104.10777	0.4
105.07024	1.6
106.99941	0.4
107.08585	2.7
109.02861	0.5
109.06522	0.4
109.10144	1.4
113.05959	0.4
115.03954	0.4
117.07054	0.9
119.08585	1.0
121.10146	1.6
123.11727	0.6
124.99979	3.1
127.03916	1.4
131.08563	1.0
133.10155	0.8
135.11694	2.5
145.10121	1.1
163.11151	2.0
169.72835	0.4
173.94751	0.4
181.12270	0.4
184.07326	17.7
185.04102	0.5
185.07671	3.4
227.12839	1.5
243.08516	1.8
249.10971	10.9
250.11464	0.5
258.65479	0.4
287.18762	0.6
288.33340	0.4
305.13708	1.1
307.20767	0.5
335.25864	1.1
336.26437	0.5
409.05032	0.4
458.25977	0.5
467.18954	3.9
490.35748	0.6
519.29248	8.7
520.29889	0.8
547.38940	0.5
548.39709	1.6
580.07373	0.5
745.41174	100.0
746.41541	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	747.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01856	0.4
55.05501	1.7
57.03428	2.4
57.07061	0.4
61.02921	6.7
67.05494	4.9
69.03073	0.3
69.03420	4.1
69.07058	1.2
70.09464	0.6
70.09849	0.6
71.01345	0.6
71.04979	0.6
73.02911	4.6
73.96221	0.2
77.03954	0.2
79.05486	3.9
81.03407	2.6
81.07047	4.8
82.50397	0.2
83.08610	1.3
85.02897	7.8
85.03419	0.4
86.09707	0.8
87.04459	0.4
91.03950	3.9
91.05466	2.7
93.07029	4.2
93.07549	0.4
95.04967	1.1
95.08584	3.9
97.02881	5.3
97.06500	0.3
97.10149	0.3
99.04439	0.9
101.02371	1.8
103.03944	0.5
105.07047	1.8
105.89061	0.2
107.08575	2.0
109.02872	1.0
109.06477	0.4
109.10119	1.7
111.08062	0.4
115.03896	0.6
117.07011	0.4
119.08559	1.3
121.10139	2.0
123.11691	0.5
125.00063	0.3
127.03908	1.7
129.07016	0.7
131.08569	1.0
133.10132	0.9
135.11691	0.7
145.10129	0.4
147.11687	1.0
149.13234	0.3
157.10143	0.5
159.11790	0.3
175.11090	0.3
184.07347	1.7
185.04156	0.6
186.26010	0.2
193.12251	0.7
196.69720	0.3
203.05327	0.5
210.57506	0.2
243.08333	1.7
251.12636	1.2
261.22079	0.3
307.15189	0.5
335.25952	0.7
353.99176	0.3
395.90039	0.3
409.45667	0.3
469.20395	3.8
519.29254	9.8
520.29907	0.3
585.37878	0.3
747.42798	100.0
748.43030	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	747.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
53.04182	0.2
53.65910	0.2
55.01865	0.4
55.05503	1.6
55.62858	0.2
55.78389	0.2
57.03223	0.2
57.03438	1.8
60.08135	0.3
61.02920	5.9
65.03934	0.4
67.05494	4.1
69.03423	3.8
69.07057	0.9
70.61056	0.6
70.61403	0.3
71.01360	0.5
71.04983	0.5
73.02912	4.1
75.04512	0.3
79.05479	3.3
81.03407	3.7
81.07049	4.7
83.08610	1.1
85.02895	5.9
85.06540	0.3
86.09697	0.9
87.04477	0.7
91.03953	3.6
91.05464	3.6
93.07033	3.6
95.04965	1.7
95.08585	2.8
97.02881	5.2
97.06535	0.5
99.04442	1.3
101.02381	2.3
103.03939	0.5
105.07016	2.2
107.04968	0.4
107.08590	1.4
109.02893	0.8
109.06493	0.5
109.10159	0.9
111.08081	0.4
113.67220	0.2
115.03941	0.3
115.26105	0.2
117.07081	0.4
119.08574	1.6
121.10116	1.6
123.08045	0.4
123.11695	0.3
125.00016	0.6
127.03916	1.4
129.07031	0.6
131.08571	1.4
133.10101	1.3
135.11708	0.3
137.13203	0.2
145.04944	0.4
145.10168	0.5
147.08015	0.2
147.11650	1.3
149.09622	0.5
149.13303	0.3
157.10161	0.8
165.12683	0.4
175.11243	0.7
184.07298	2.7
185.04276	0.7
185.07661	0.3
193.12296	1.0
203.05348	0.4
211.13393	0.7
231.49629	0.2
243.08325	2.4
251.12450	1.1
261.22372	0.3
285.16821	0.4
307.15082	0.6
335.25836	0.5
469.20413	9.3
470.20447	0.3
519.29224	5.2
747.42798	100.0
748.42944	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	748.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20341	0.5
53.03933	0.7
53.58838	0.5
55.01857	3.7
55.05503	4.5
57.03421	0.9
57.07071	11.9
62.06077	0.8
65.03913	0.7
67.05157	0.7
67.05495	9.9
69.03413	0.7
69.07059	6.9
70.79677	0.9
70.80015	1.3
71.08624	7.7
79.05481	4.7
81.03403	2.3
81.07044	29.4
83.04965	2.6
83.08607	5.3
85.10175	4.5
86.09690	0.6
91.05490	2.5
93.07040	5.2
95.04956	1.0
95.08593	12.5
97.10156	1.3
98.98457	1.0
101.29839	0.5
102.75063	0.5
105.07029	3.8
107.08576	4.1
109.06505	10.8
109.10142	4.9
111.04430	15.9
111.05194	0.9
111.08065	0.8
117.07005	0.7
119.08578	4.4
121.10114	4.5
123.08041	2.0
123.11723	2.8
124.99983	0.6
125.05965	4.7
131.08556	2.2
133.10103	4.9
135.08038	3.3
135.11668	4.5
137.05959	100.0
137.13205	2.4
138.06293	1.6
143.08575	1.5
145.10094	1.4
147.08020	1.7
147.11667	7.5
149.09575	3.7
149.13240	1.1
151.07533	2.7
151.11145	1.2
155.01134	0.6
157.10158	2.5
159.11694	0.9
161.09599	6.5
161.13249	2.6
163.11172	2.5
163.14819	0.7
165.09102	2.8
165.12842	1.0
167.10619	0.6
171.11717	1.0
175.11172	6.2
175.14804	1.7
177.09071	0.7
177.12840	1.2
179.10660	2.3
181.12241	0.9
184.07333	1.4
189.12769	1.4
193.12238	2.2
199.16335	0.5
203.17899	5.8
205.19467	0.9
211.13326	1.1
213.16354	4.1
221.19003	1.9
223.14836	0.8
231.17397	8.7
232.66261	0.5
241.15810	1.3
249.18539	6.9
267.15921	1.5
277.17947	42.9
278.18195	1.4
282.27820	2.3
295.18985	14.7
313.27325	18.4
320.22214	6.3
338.23181	0.8
342.17517	0.5
351.21634	11.6
351.25812	0.9
436.28711	0.8
505.38797	1.4
589.44543	83.8
590.44946	5.6
607.45593	16.0
608.45990	1.2
629.68701	0.6
712.45251	1.0
730.46436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01843	1.8
55.05500	21.5
57.03428	3.3
57.07067	43.8
59.29579	1.7
62.06083	3.0
65.03943	1.7
67.05160	3.3
67.05495	46.1
69.06728	2.1
69.07050	14.6
70.91869	2.0
70.92229	4.8
71.04990	2.7
71.08620	40.0
77.31684	1.8
79.05473	26.0
80.05003	3.5
81.03389	5.7
81.07044	55.6
82.06568	4.9
83.04947	4.2
83.08611	14.2
85.06514	1.8
85.10155	14.1
91.05463	21.9
93.07023	27.1
95.04950	7.3
95.08594	38.7
97.06517	4.2
97.10145	5.0
98.98432	5.2
99.08082	11.0
101.30529	1.5
105.07023	17.8
107.04965	1.9
107.08574	11.4
109.06544	2.7
109.10128	15.0
113.09600	1.8
117.07008	6.4
119.08586	8.6
121.10124	5.9
123.11698	4.7
125.09615	2.1
126.12814	1.7
129.06956	3.5
131.08513	6.8
133.10130	7.9
135.08067	1.8
135.11649	4.4
145.10110	2.8
147.11639	3.6
149.13210	4.2
151.11174	14.4
157.10049	2.3
159.11719	2.2
161.13181	4.4
163.11169	9.5
173.13289	1.9
177.12685	4.7
179.14278	7.3
195.13737	3.1
198.14322	1.5
220.16951	7.6
238.17960	6.1
239.23651	6.0
241.19479	5.2
251.16429	2.0
259.20602	3.8
267.15765	1.6
269.17365	2.1
277.21567	16.9
282.27887	6.3
295.22653	2.2
302.24530	1.9
313.27286	33.4
318.14624	7.5
320.25650	2.4
333.24045	2.3
351.25204	5.5
374.17090	3.6
392.18188	8.9
507.40387	100.0
508.40720	6.0
532.43323	3.6
571.47156	17.3
589.48193	89.1
590.48322	5.1
607.49371	15.8
630.41156	30.7
712.48938	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	754.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.05512	28.1
55.46449	2.0
57.03428	18.6
57.07069	3.0
58.08267	1.9
60.08160	1.9
61.02910	4.8
61.21795	1.8
65.03943	3.5
67.05498	72.5
69.03412	4.2
69.07062	15.8
71.04992	4.1
71.08627	3.3
79.05482	52.0
81.03424	10.8
81.07049	54.9
83.04977	7.2
83.08617	14.9
85.02909	6.2
86.09692	4.9
91.05471	30.5
91.63539	1.9
93.07039	45.7
93.69859	1.8
95.04967	19.5
95.08598	36.6
95.09198	1.2
97.02907	4.7
97.06518	5.9
97.10159	17.2
105.07021	20.8
107.04964	5.0
107.08588	27.3
109.06535	4.4
109.10141	30.4
111.08073	3.5
115.05492	2.0
117.07006	13.5
119.08559	10.9
121.06504	6.8
121.10139	21.1
123.08046	5.5
123.11691	4.0
123.53719	1.9
125.09618	14.3
129.06978	3.8
131.08566	18.6
133.10173	10.1
135.08055	3.9
135.11681	10.4
141.06982	2.0
143.08531	4.1
145.10147	11.3
147.11690	6.1
149.13251	7.7
159.11688	8.9
161.13249	5.4
163.11143	2.8
163.14828	2.5
169.10164	2.3
173.11801	2.4
173.13232	3.8
177.12743	4.5
184.07330	24.1
185.13229	2.4
187.11264	2.8
187.14774	3.0
189.11096	9.2
205.12253	3.1
223.13264	41.9
223.16733	2.1
227.12740	8.7
229.14398	10.7
243.21048	3.9
259.20682	2.2
261.22092	10.6
279.15921	3.7
297.16937	100.0
298.17584	2.5
301.16360	2.3
313.27307	5.4
335.25763	65.3
336.26114	2.4
351.45874	1.9
465.33347	2.0
489.35370	5.1
539.37054	5.4
557.38220	39.3
575.38702	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	754.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.01857	6.1
55.05503	25.0
57.03414	10.8
58.42612	4.2
61.14016	5.1
67.05500	78.4
69.07059	19.9
69.89072	27.7
71.04980	9.7
79.05487	87.1
81.03383	12.7
81.07048	69.9
83.04974	10.0
83.08605	10.9
91.05475	88.5
93.07032	100.0
94.07406	4.6
95.04952	26.3
95.08591	48.6
97.06477	6.3
97.10166	5.3
98.20679	5.3
105.07022	77.4
107.04961	10.8
107.08578	41.6
109.06496	7.6
109.10142	16.6
117.06985	21.7
119.08562	57.5
121.06512	6.6
121.10114	26.5
129.06992	13.6
131.08607	22.8
133.10103	38.7
135.11629	11.6
143.08571	24.2
145.10071	17.8
147.11668	51.9
149.13220	5.3
152.72827	5.3
157.10100	10.8
159.11679	15.7
161.09561	5.4
161.13194	27.2
171.11653	33.4
173.13283	6.9
184.07283	14.6
185.13286	7.5
188.65654	5.1
189.12773	9.9
199.14722	6.3
207.13759	18.4
227.87497	5.2
241.19571	29.7
259.20538	58.5
279.15891	14.2
281.17429	59.5
315.00757	4.8
333.24261	37.9
335.25510	6.3
420.09433	4.8
447.32452	7.9
521.36096	6.9
539.37366	60.8
540.37970	5.4
557.37903	18.4
573.84534	4.9
591.69061	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	756.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05504	14.1
57.03431	7.9
59.05002	0.7
65.03953	0.9
67.05497	16.8
69.03429	2.8
69.07060	4.4
69.55923	4.1
71.04991	3.6
71.80920	0.6
79.05481	20.7
81.03408	46.3
81.07048	17.7
81.07497	1.1
82.03719	0.8
83.04974	4.2
83.05811	0.6
83.08611	14.3
83.09077	0.8
85.02921	0.9
85.06539	1.8
91.05466	14.9
93.07036	14.8
93.07589	0.8
95.04961	19.4
95.08596	8.4
97.02902	2.2
97.06546	2.9
97.10155	13.8
97.10727	1.1
98.20727	1.3
103.05424	0.7
104.30085	0.6
105.07016	11.6
105.07638	0.8
107.04948	14.2
107.08579	8.9
109.02906	0.8
109.06496	8.4
109.07113	0.7
109.10137	5.5
111.04493	1.2
111.08058	5.5
115.05483	1.5
116.39223	0.7
117.07000	4.8
119.04963	0.9
119.08566	10.6
119.73309	0.6
121.06484	10.3
121.10137	8.2
123.04454	1.3
123.08064	4.1
123.11707	1.8
125.06025	1.1
125.09618	13.0
129.06989	7.0
130.08513	0.7
131.04990	2.0
131.08551	9.0
133.06509	3.4
133.10126	3.7
135.08055	4.7
135.11687	1.9
137.09650	2.0
141.07079	1.5
142.07822	1.2
143.08574	3.6
144.44383	0.6
145.06476	6.3
145.10089	4.0
147.04391	1.3
147.08029	5.4
147.11653	4.5
149.09598	4.7
153.09065	3.5
153.12743	1.0
155.08531	1.6
157.06555	1.6
157.10081	7.4
159.06940	0.6
159.08122	2.6
159.11723	2.1
161.06050	1.0
161.09673	1.8
163.11171	3.3
165.12839	1.0
167.08563	0.9
167.10709	1.4
169.06441	0.8
169.10165	1.9
171.08067	1.2
171.10179	1.5
171.11702	1.9
173.09618	1.2
173.13274	1.4
175.11165	5.4
177.12730	1.5
177.15874	0.7
181.10164	0.8
183.11696	1.3
185.09605	1.4
185.13235	1.1
187.11201	0.9
187.14851	1.3
189.09650	1.0
189.11209	6.2
189.12709	1.2
191.14342	1.7
193.12241	14.6
195.11722	1.2
197.13277	1.4
199.11235	1.6
199.13278	1.1
201.12790	0.7
205.12332	1.4
205.16008	0.9
211.11185	1.1
211.13152	1.2
213.12779	1.7
215.14375	2.7
219.11440	0.6
219.13873	2.3
221.13306	0.7
223.11224	0.8
223.13333	1.5
225.12787	1.1
227.12642	1.6
227.14641	1.4
229.15955	0.6
231.13896	1.8
233.15262	3.8
235.13321	0.8
237.12724	1.0
239.14450	0.9
241.14355	1.1
245.15494	1.2
249.14870	1.0
255.13843	2.6
259.13321	0.9
261.14835	0.6
267.15872	38.1
268.16452	0.7
273.14761	7.1
275.16324	0.9
287.16440	1.1
293.17462	1.3
339.23248	1.9
349.21503	4.4
357.24261	2.2
367.22678	14.8
368.23032	0.8
385.18610	1.2
385.23672	24.5
386.23935	0.9
403.24759	8.1
405.24677	1.0
423.25348	0.9
424.15024	0.7
441.26318	8.7
459.27362	100.0
460.27621	4.8
477.28424	85.4
478.28894	4.0
491.23257	1.0
491.30051	11.5
501.28287	2.8
507.21060	0.6
509.31033	5.5
541.33795	1.5
543.28705	0.7
567.29553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.0
53.03940	2.7
55.01859	2.7
55.05505	18.4
57.03434	12.9
59.04984	1.8
61.02911	4.5
65.03931	2.3
67.05499	40.7
69.03432	1.5
69.07059	10.7
69.24149	11.2
69.24465	0.9
71.01347	2.2
71.04987	1.8
73.02914	1.8
79.05487	27.5
81.03416	3.9
81.07047	45.7
81.08946	1.1
83.04980	5.2
83.08613	12.6
83.54763	0.8
85.02901	2.2
85.06553	1.9
88.99949	0.9
91.05472	28.6
93.07035	35.7
93.28347	1.0
95.04941	5.2
95.08595	27.8
97.02870	7.1
97.03407	1.1
97.06532	3.8
97.10162	1.3
98.20770	1.7
99.00797	17.0
99.08086	2.1
103.05450	2.4
105.07020	22.4
107.04948	5.2
107.08573	17.5
109.02873	9.5
109.06523	2.1
109.10144	14.9
111.04438	1.7
111.08064	4.0
115.03934	2.2
116.21143	0.9
117.07001	4.9
119.08564	13.5
121.06501	6.8
121.10126	12.9
123.04443	1.3
123.08038	1.8
123.11705	5.9
127.03920	2.8
128.06227	1.6
129.07021	1.7
130.68970	1.0
131.08537	7.9
133.06464	2.3
133.10124	35.5
135.08058	1.5
135.11708	8.3
137.09595	1.5
139.07545	2.8
143.08540	3.1
145.06535	1.1
145.10065	5.1
147.11673	2.2
149.13210	5.4
151.11151	8.2
156.38274	1.0
159.11673	3.6
161.09607	17.9
161.13249	4.3
163.14810	1.9
171.08047	3.3
173.13248	3.6
175.14886	1.6
179.10680	8.7
184.07361	4.4
187.14775	1.9
189.09154	7.7
197.11682	3.0
200.08125	1.1
207.10165	3.4
225.11183	15.4
227.12753	1.3
243.12291	4.2
243.21059	6.2
259.20554	1.1
261.22144	16.7
281.13834	3.4
299.14859	100.0
300.15140	2.5
301.17267	1.1
315.23145	3.0
317.24789	2.2
324.01358	0.9
335.25760	73.4
336.26126	1.7
439.32343	2.2
449.30786	1.4
467.31650	5.9
485.32495	2.7
513.36243	2.0
531.36700	2.2
541.35663	4.7
559.36267	35.5
577.37579	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	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.2
53.03934	3.1
55.01866	3.7
55.05252	1.6
55.05503	20.9
57.03176	1.0
57.03431	13.3
57.07061	2.1
59.04980	2.2
61.02917	5.3
65.03906	2.5
67.05495	53.2
67.57085	0.7
69.03404	2.5
69.07055	11.3
69.46382	7.1
71.01328	1.4
71.04974	2.3
71.08614	1.1
73.02903	2.1
79.05482	36.3
81.03415	4.5
81.07046	51.2
81.46349	0.7
83.04960	3.1
83.08604	13.1
85.02896	4.3
85.06524	2.0
91.03919	1.3
91.04881	0.8
91.05467	34.3
93.07031	45.9
94.07372	0.9
95.04955	7.9
95.08594	32.7
96.08862	0.7
97.02874	6.0
97.06509	2.9
97.10152	2.0
99.00801	17.4
99.08053	1.9
103.05411	1.7
105.07010	26.2
107.04922	5.0
107.08578	22.4
108.08929	1.1
109.02859	10.8
109.06496	3.4
109.10139	16.4
109.84531	0.8
111.04424	1.3
111.08074	4.1
114.89480	0.9
115.03905	2.9
117.07014	7.3
119.08559	14.5
121.06500	5.6
121.10126	15.4
123.04379	1.7
123.08041	1.6
123.11674	6.1
125.09605	1.4
127.03890	3.4
128.06239	1.5
129.06979	2.4
131.08545	10.1
133.06458	1.9
133.10109	37.2
134.10408	1.8
135.08025	1.6
135.11674	12.1
137.05960	1.3
137.09627	2.5
137.13220	2.3
139.07504	3.1
143.08542	5.2
145.06453	1.2
145.10089	6.3
147.08054	1.9
147.11646	5.1
149.09615	1.2
149.13232	6.5
151.11166	8.7
157.10156	1.8
159.11696	4.5
161.09608	14.3
161.13237	3.4
163.11168	2.2
163.14815	2.8
166.97604	0.7
169.10173	0.8
171.08072	2.9
171.11688	1.0
173.13242	4.2
175.14816	1.8
179.10648	8.0
187.14787	2.9
189.09073	8.3
197.11659	3.1
207.10132	5.1
225.11185	13.9
233.22711	1.1
243.12238	2.6
243.21019	6.4
261.22104	19.7
277.21649	1.2
281.13736	4.6
299.14844	87.6
300.15158	1.7
301.17017	0.9
315.23172	2.3
317.21167	1.2
317.24478	3.9
335.25748	100.0
336.25974	5.5
439.32108	1.3
449.30161	2.0
467.31320	5.6
485.32474	2.8
513.35443	3.3
515.36847	1.3
523.34253	1.1
531.36676	1.2
541.35211	10.3
559.36212	52.5
560.36023	1.9
577.37512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.1
54.90229	1.0
55.01854	3.2
55.05257	1.4
55.05504	20.1
57.03179	1.5
57.03429	18.8
57.07064	2.7
57.71372	0.9
61.02937	1.4
65.03918	3.0
67.05495	58.5
69.03403	3.7
69.07056	15.5
69.24297	3.6
69.24717	8.0
71.04967	4.6
79.05482	44.4
81.03407	89.8
81.07042	57.0
82.07339	1.3
83.04974	5.2
83.08144	1.7
83.08610	20.9
85.02908	1.6
85.06514	3.0
86.09683	2.6
91.05470	34.5
93.07030	46.6
93.07619	2.4
95.04954	27.0
95.08595	46.3
97.02853	3.3
97.06516	4.8
97.10155	6.1
98.20686	1.8
99.08053	1.6
103.05444	1.2
105.04486	1.1
105.07018	24.2
107.04957	7.0
107.08571	24.7
109.06495	4.7
109.09446	2.1
109.10137	22.9
111.04422	2.1
111.08086	5.8
115.05487	1.5
117.06994	7.0
119.04961	1.3
119.08561	26.1
121.06482	3.6
121.10121	22.5
123.08027	3.4
123.11692	5.7
124.99958	1.5
125.09602	4.3
129.06990	9.0
131.08549	20.2
133.06447	3.3
133.10123	12.9
135.11694	13.6
137.09630	2.4
137.13239	1.5
141.06860	1.0
142.07838	2.6
143.08528	2.7
145.10083	10.2
147.08018	3.3
147.11652	13.3
149.09589	5.9
149.13219	7.3
151.11104	1.1
155.08513	1.9
157.10107	12.8
159.11646	7.8
161.13248	6.0
163.11217	2.6
163.14777	3.6
165.12726	2.0
169.10091	1.4
171.11594	2.1
173.13271	4.9
175.11150	10.5
175.14780	3.8
177.16339	1.2
183.11736	1.2
184.07338	6.3
185.13223	2.5
187.13168	1.3
187.14818	2.9
189.11212	4.2
193.12201	22.8
198.94408	1.1
211.13211	1.6
227.12752	8.6
233.22617	1.4
235.13332	1.3
243.21042	5.4
249.14830	2.5
259.20483	1.4
261.22086	22.0
267.15878	100.0
268.16183	2.1
279.23151	1.9
294.68970	1.3
299.23511	1.2
301.25125	7.4
303.23172	1.5
309.17059	1.3
314.76096	1.2
317.24796	3.4
333.23801	1.2
335.25751	89.3
336.26004	2.3
420.26547	1.1
421.25922	1.6
435.26987	1.7
435.32355	4.2
449.29279	1.9
453.33438	8.4
459.39618	1.1
471.34512	2.5
484.26703	1.2
527.37244	65.5
528.37463	3.6
545.38287	43.1
546.38641	1.8
559.39496	1.4
569.38080	3.0
604.95129	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	757.2169
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05503	0.8
57.03193	0.4
57.03432	3.6
61.02916	2.4
69.03418	4.1
71.01331	0.5
71.04981	18.9
73.02914	4.1
75.04468	1.0
81.03393	1.0
83.04967	4.0
85.02892	28.9
91.03915	0.9
95.04974	0.5
97.02885	4.5
99.04416	0.8
109.02820	0.7
111.00806	0.5
111.04414	3.0
113.05960	0.5
115.03899	1.9
121.02882	0.8
127.03883	1.8
129.05461	8.1
137.02313	2.2
139.03876	1.9
147.04417	0.6
147.06520	2.9
151.03879	1.1
153.01808	6.1
153.05357	0.6
163.03854	1.2
163.05975	1.1
165.01790	1.2
172.64482	0.6
173.15814	0.5
201.05495	0.9
217.05025	0.7
225.07584	1.4
228.03983	0.8
229.04883	3.7
233.45230	0.5
239.09048	0.9
243.08710	0.9
245.04422	1.0
246.05278	1.6
257.04422	4.0
273.03946	1.0
274.04700	3.7
279.33960	0.5
285.03882	3.9
302.04218	11.0
303.04950	64.3
304.05267	1.7
315.04770	0.7
317.06512	100.0
318.06839	2.7
329.06406	0.8
345.06064	1.1
355.08273	0.7
359.07568	1.4
369.05978	0.7
383.07791	1.0
413.08490	0.9
414.50055	0.5
449.10608	2.1
465.10019	1.4
479.11539	1.4
673.78693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
54.16611	1.8
55.01851	5.6
55.05507	29.8
57.03436	18.7
57.07084	3.2
60.78499	1.7
61.02910	5.7
65.03918	5.8
67.05495	100.0
69.03423	3.5
69.07058	22.4
69.26745	11.4
69.27171	7.9
71.04978	7.8
73.02914	2.0
79.05482	72.1
79.05945	4.2
80.40295	1.8
81.03410	6.8
81.07045	82.2
82.07397	2.6
83.04970	17.6
83.08614	18.5
85.02895	9.7
85.06496	4.5
89.20139	1.9
91.05472	57.3
93.07030	78.8
94.07381	2.4
95.04960	15.9
95.08595	59.0
97.02882	12.6
97.06524	11.3
97.10157	7.7
98.20731	3.0
99.04455	3.5
99.08083	3.1
100.03600	1.9
103.05450	1.9
105.04487	2.7
105.07019	38.1
107.04938	11.5
107.08582	45.8
109.06493	7.7
109.10139	33.7
111.04426	14.9
111.08053	5.2
113.05975	2.6
115.05391	2.6
117.07008	23.6
119.08562	34.7
121.06510	5.4
121.10117	32.7
123.04453	3.2
123.08041	4.0
123.11681	7.4
125.06023	1.9
129.06978	7.3
130.07803	1.9
131.08533	23.1
133.06496	3.4
133.10104	26.9
135.08018	8.6
135.11667	29.7
137.09587	6.9
137.13222	2.1
138.77307	1.9
143.08528	9.8
145.06470	4.7
145.10104	32.2
147.07950	2.3
147.11679	13.6
149.09560	9.8
149.13243	5.9
151.11195	3.1
153.12628	2.2
155.08546	6.3
157.10117	6.7
159.11688	16.7
161.09612	6.3
161.13199	5.8
163.11174	18.4
163.14874	2.3
169.10121	3.8
171.11649	5.5
173.09589	7.2
173.13219	9.6
175.11169	2.8
177.12677	2.7
181.10135	2.2
183.11688	3.1
185.09642	2.1
185.13239	2.9
187.14735	5.7
189.11160	2.4
189.12746	2.1
191.10686	9.0
195.11739	2.6
197.13261	2.5
199.14882	3.6
201.16464	2.5
209.11656	22.4
209.13324	2.3
213.25197	2.0
227.12781	6.7
227.16315	4.0
229.14346	4.0
243.21051	3.8
253.14293	4.3
255.15808	4.3
259.20645	5.7
261.22110	10.0
271.20816	2.3
273.22128	6.9
283.15350	75.0
284.15823	3.0
285.16815	2.4
289.21548	3.4
291.22928	2.3
297.22235	3.2
299.19986	3.1
301.16449	7.2
301.21451	3.3
315.23099	10.2
317.24658	3.7
333.24152	3.4
335.25748	60.9
336.25952	2.4
363.25769	2.3
373.23669	4.5
389.27032	3.5
391.24872	3.0
423.32730	3.0
433.30948	8.0
441.33548	2.4
451.32004	14.2
469.33069	15.2
487.34061	6.1
497.95947	2.3
515.37061	4.6
525.35864	23.7
543.36792	92.6
544.37024	6.2
561.37689	23.0
686.24963	2.3
740.13428	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	758.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01866	9.7
55.05256	1.8
55.05503	21.4
55.05767	0.8
56.38343	1.1
57.03428	18.2
57.07061	2.7
59.04995	1.1
61.02917	5.6
65.03924	3.5
67.05495	71.1
69.03410	4.7
69.07059	21.2
69.26774	10.3
71.01332	2.8
71.04979	5.5
73.02883	2.1
77.03945	1.2
79.05482	59.6
80.05813	1.0
81.03406	16.1
81.07047	69.4
82.07362	1.1
83.01330	1.5
83.04970	15.8
83.08613	13.5
85.02895	7.4
85.06519	3.4
85.28419	1.0
91.03949	1.1
91.05468	36.0
93.07031	70.9
95.04959	12.0
95.08593	46.5
96.08924	1.4
97.02876	7.8
97.06518	9.1
97.10146	5.7
99.04420	2.9
101.02417	1.1
102.60046	1.0
105.04520	1.2
105.07016	22.4
107.04941	10.9
107.08578	32.7
109.02849	1.1
109.06506	4.3
109.10140	24.5
111.04424	15.0
111.08049	5.8
111.11679	2.5
117.07002	14.2
119.07777	1.9
119.08567	21.8
120.04707	0.9
121.06490	4.5
121.10120	42.2
122.10446	1.2
123.04417	0.9
123.08074	5.8
123.11713	6.4
125.05991	2.5
125.09612	4.6
128.61304	1.1
129.05516	1.1
129.06970	3.4
130.07761	2.1
131.08560	16.1
133.10110	12.9
135.08022	2.1
135.11670	23.2
137.09598	2.4
137.13242	1.9
137.35272	0.9
139.07515	1.4
139.11143	6.0
141.07005	1.0
143.08574	2.5
145.06471	2.6
145.10091	25.2
147.07980	3.0
147.11653	7.7
149.09619	5.3
149.13232	5.8
151.11148	1.7
153.12708	11.9
155.08527	2.7
157.10083	2.8
159.11668	6.2
161.13188	5.6
163.11160	32.1
163.14807	2.9
173.09633	5.7
173.11783	1.3
173.13214	4.5
175.14787	2.6
181.12209	13.2
182.12547	1.2
183.39832	1.0
184.07339	2.7
185.11668	1.9
185.13176	1.8
187.14807	2.4
189.11197	1.6
191.10634	14.0
197.13310	1.6
201.73705	1.2
209.11699	24.9
227.12764	20.2
243.21083	5.6
245.13837	13.0
245.22452	1.0
253.14287	1.2
259.20523	2.5
261.22104	14.2
265.14288	2.9
267.15765	1.3
283.15341	33.4
284.15765	1.7
299.23563	1.4
301.16406	71.8
302.16669	1.9
315.23010	1.1
317.24704	3.7
333.24200	1.4
335.25748	100.0
336.26144	5.2
415.29974	1.2
433.30853	1.5
451.32004	2.1
469.33047	2.9
487.34143	1.1
525.35724	6.4
526.36096	1.3
539.85071	1.1
543.36707	41.9
544.37085	1.7
561.37744	70.9
562.38055	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01878	3.6
55.05505	21.6
57.03432	11.5
57.07069	1.9
61.02904	5.6
65.03915	3.3
67.05495	76.5
69.03410	6.5
69.06715	2.4
69.07059	32.0
71.04987	8.9
71.05309	1.6
71.53765	2.5
71.54129	1.9
73.02893	2.4
79.05482	52.0
81.03403	10.8
81.07047	100.0
83.04974	10.8
83.08607	21.2
85.02885	7.5
85.06531	3.9
86.09701	2.3
91.05466	38.2
93.07033	66.3
93.07628	3.2
95.04941	9.9
95.08596	31.7
95.67628	1.4
97.02888	4.2
97.06535	13.0
97.10136	5.9
99.08091	3.8
100.24434	1.5
105.07021	27.5
107.04939	6.1
107.08582	40.2
109.02881	1.7
109.06503	7.7
109.10146	7.8
111.08054	9.4
117.06992	15.1
119.08572	19.4
121.06479	5.1
121.10136	19.6
123.08062	3.0
123.11675	7.3
125.09595	2.6
127.03910	2.1
129.07013	2.8
131.08557	20.9
133.10117	23.0
135.08040	3.6
135.11671	16.4
137.09584	2.0
139.11183	1.9
143.08536	2.2
145.10091	10.6
147.08011	2.0
147.11653	8.0
148.98308	1.8
149.09610	9.0
149.13228	22.8
151.11171	3.6
157.10063	6.9
159.11668	16.7
161.13249	2.3
163.11145	5.0
165.12801	2.4
169.10138	1.8
173.04378	1.9
173.13229	5.6
175.11172	2.4
177.12715	6.7
181.12204	2.1
183.11626	2.0
184.07338	8.5
187.14825	1.6
193.12184	1.7
195.13753	14.5
211.13246	1.6
213.14839	2.3
227.12743	1.7
229.19521	1.7
239.17993	1.6
251.16400	3.2
255.15857	6.4
257.19000	3.9
267.15991	2.7
269.17450	72.2
270.17743	3.2
275.20013	18.6
285.16977	2.4
335.25607	2.4
349.23697	16.3
367.24747	6.2
413.21875	3.0
445.29657	3.4
449.28915	27.1
463.30511	89.5
464.30704	4.3
543.36761	37.2
561.37659	15.7
607.34247	3.5
686.89539	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.2
55.01874	7.3
55.05500	30.0
57.03431	26.5
57.07068	4.8
59.04982	2.8
60.08146	3.7
61.02916	7.0
65.03936	4.9
67.05493	81.1
69.03409	7.4
69.07047	28.7
69.49072	10.6
69.49496	16.4
71.04977	7.6
72.04527	2.8
79.05475	76.4
81.03403	75.9
81.03846	5.7
81.07040	93.4
83.04967	20.7
83.08597	30.5
85.02884	29.1
85.06562	5.2
86.09698	12.4
91.05461	100.0
93.07022	77.3
95.04942	35.6
95.08589	43.1
97.02882	7.1
97.06533	9.8
97.10143	14.4
99.08088	5.2
100.78687	3.4
105.07008	92.9
107.04958	11.3
107.08578	51.8
109.06499	10.3
109.10139	19.3
111.08072	16.8
115.05462	3.9
117.07006	24.9
119.08559	73.5
121.06445	3.6
121.10124	27.9
123.08040	9.5
123.11630	7.0
124.99970	7.4
125.09636	7.3
128.06195	3.8
129.05516	3.7
129.06984	24.2
131.08534	45.8
133.10109	57.5
135.08076	4.2
135.11661	22.6
137.09647	4.3
142.07785	4.0
143.08559	12.2
145.10098	31.7
147.08026	5.5
147.11642	59.0
149.09593	13.0
149.13206	18.3
155.08522	6.2
157.10094	31.2
159.11679	24.0
161.13220	28.2
163.11227	6.3
165.12714	8.5
171.11606	19.2
173.13245	10.9
175.11151	18.3
175.14859	11.0
177.12726	3.3
184.07304	30.8
185.13266	13.6
187.14836	6.6
189.11206	3.5
193.12202	58.7
194.12500	3.4
197.13306	6.6
199.14743	5.4
207.48338	3.1
209.13213	3.7
210.97003	3.0
211.13210	67.0
211.14912	6.0
212.13570	3.8
213.16446	4.5
221.13293	3.5
227.12709	14.2
231.21156	5.3
241.19463	30.2
242.94644	3.2
257.19037	4.1
259.20517	70.7
267.15826	22.6
269.17447	18.9
275.19995	9.6
279.58270	3.0
283.15350	7.8
285.16888	77.7
315.23135	12.5
333.24164	67.8
335.25549	3.6
349.23584	9.7
371.26379	3.3
397.63947	3.3
423.53131	3.5
433.30933	8.1
439.26746	5.1
449.28748	3.1
451.32019	12.6
463.30746	10.2
469.33188	4.9
469.92661	3.2
507.34937	3.6
515.37366	6.9
525.35626	32.1
526.35724	3.3
543.36761	89.5
544.37500	5.1
561.37354	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01869	7.1
55.05506	23.7
57.03431	15.5
57.07063	2.8
59.04982	1.6
61.02914	5.5
65.03931	3.8
66.10516	1.1
67.05497	68.7
69.03413	2.8
69.07063	17.9
69.30273	12.8
71.01330	3.0
71.04977	4.3
73.02905	2.5
77.03925	1.5
79.05484	54.8
81.03402	11.5
81.07046	64.8
82.07396	1.2
83.01325	2.1
83.04967	13.9
83.08604	13.8
85.02895	8.1
85.06525	4.6
91.03920	1.6
91.05468	36.8
93.07030	67.1
95.04960	10.9
95.08595	45.0
97.02869	9.3
97.06515	9.5
97.10162	5.2
99.04476	3.0
99.08113	2.2
103.05434	1.6
105.07010	19.7
107.04936	13.7
107.08582	34.5
109.02842	1.5
109.06513	5.9
109.10137	23.0
111.04421	14.1
111.08060	5.6
115.20329	1.5
117.07014	13.0
119.08560	25.8
121.06506	3.2
121.10126	30.5
123.04523	1.2
123.08058	5.1
123.11678	5.8
123.74551	1.4
125.05967	1.9
125.09617	4.1
127.03875	1.3
127.30821	1.3
129.05482	1.6
129.06993	4.6
130.07770	3.3
131.08546	18.3
133.06415	1.4
133.10109	14.4
135.08067	3.3
135.11668	29.7
137.09637	3.5
137.13234	2.0
141.06990	1.2
143.08545	4.0
145.06458	2.7
145.10110	24.4
147.08035	5.1
147.11659	9.8
149.09590	4.8
149.13223	7.5
151.11179	3.4
153.12704	8.9
155.08545	3.4
157.10045	2.1
159.11700	7.8
161.09578	1.8
161.13261	4.9
163.11160	28.5
163.14790	2.2
169.10152	1.9
171.11670	3.3
173.09647	7.1
173.13174	8.0
175.11139	1.5
175.14818	2.3
181.12167	7.2
185.13275	2.4
187.14851	2.5
189.11172	2.8
191.10686	11.2
197.13226	2.0
199.11024	1.2
199.14792	1.8
209.11705	32.0
227.12746	18.4
227.16214	1.4
229.14328	1.6
243.21088	5.2
253.14339	4.4
255.15826	1.5
259.20511	2.7
261.22089	17.3
265.14236	1.8
266.87476	1.2
273.22177	1.5
275.23584	1.4
283.15381	61.2
284.15753	1.5
285.16898	2.7
299.23611	2.0
301.16418	44.1
301.21637	1.9
315.23206	3.4
333.24188	2.9
335.25766	100.0
336.26172	4.0
423.32730	1.8
433.30884	5.5
451.32040	11.7
469.33200	8.8
487.33984	3.7
507.34641	2.8
515.37213	2.6
525.35645	13.6
543.36731	76.8
544.36896	2.3
549.53888	1.5
561.37836	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	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
54.05416	1.4
55.01858	6.8
55.05510	26.1
57.03434	15.3
57.07050	2.7
61.02919	4.1
65.03931	3.3
67.05496	76.3
69.03416	5.1
69.07059	35.6
69.13742	1.4
69.36710	6.5
69.37137	7.4
71.04982	6.9
71.08617	1.9
73.02923	2.1
79.05486	60.4
81.03408	12.2
81.07049	100.0
82.07400	2.1
83.04963	13.7
83.08623	21.4
85.02877	7.5
85.06528	4.3
91.03947	1.6
91.05470	49.9
93.07037	73.0
95.04958	15.4
95.08025	2.5
95.08598	33.2
97.02892	5.3
97.06524	17.7
97.10154	5.2
98.20738	3.0
99.04469	1.5
99.08073	4.4
103.05456	1.6
105.04555	2.9
105.07024	30.1
105.07725	1.6
107.04951	7.6
107.08585	43.2
109.06516	6.4
109.10139	12.1
111.04512	1.7
111.08062	7.2
115.05431	2.1
117.06994	17.9
119.08575	19.9
121.06509	3.9
121.10139	19.1
121.99555	1.4
123.08059	3.6
123.11703	7.5
125.09650	4.2
127.03882	3.5
129.07002	3.7
131.08548	19.4
133.10112	26.6
135.08054	4.4
135.11694	15.4
137.09604	2.9
138.65451	1.4
143.08528	2.8
145.10091	10.0
147.07977	1.9
147.11685	8.0
149.09624	8.1
149.13242	18.9
151.11160	4.3
155.08601	1.6
157.10126	3.8
159.11688	14.5
161.13332	2.3
163.11182	6.4
165.12741	2.5
167.14183	1.7
169.10170	1.9
171.11646	2.2
173.04425	2.3
173.13263	2.9
175.11259	2.8
177.12714	5.7
179.14258	7.1
184.07394	5.0
187.48776	1.3
193.12270	2.0
195.13753	14.0
211.13266	1.8
213.14775	2.3
227.12689	2.7
251.16359	2.6
253.14351	5.2
255.16043	4.6
257.19070	4.6
267.15866	3.3
269.17441	63.1
275.20038	15.6
277.21542	4.4
285.17023	4.4
293.20999	2.3
339.17932	1.7
349.23688	19.7
351.25134	4.0
358.13049	1.4
367.24725	3.1
413.21967	2.1
445.29529	2.3
449.23392	1.8
449.29016	24.9
463.30515	81.3
464.30719	2.9
532.70911	1.6
543.36804	28.0
561.37903	13.1
607.34100	2.8
634.56299	1.5
672.16144	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01873	0.9
55.05258	1.2
55.05507	16.2
57.03432	6.1
57.07066	2.7
61.02903	3.4
65.03926	2.5
67.05498	74.3
68.05840	1.1
69.03421	2.8
69.07059	14.3
69.26603	6.1
71.04983	21.1
73.06554	0.9
78.21390	0.9
79.05484	37.4
80.05824	0.7
81.03423	1.6
81.07048	100.0
82.07395	1.2
83.04953	4.0
83.08607	9.0
85.02893	3.1
85.06532	6.8
90.53835	0.6
91.03963	1.6
91.05473	29.4
93.07033	40.7
94.07352	0.9
95.04951	3.7
95.08594	32.2
97.02882	1.5
97.06539	4.6
97.10160	3.0
99.08076	1.3
105.07023	14.1
107.08582	23.1
109.06503	2.4
109.10138	13.5
111.08087	2.6
113.09635	0.7
115.31824	0.7
117.06989	5.6
119.08572	9.6
121.10128	18.1
123.08097	1.6
123.11688	13.7
127.03931	0.8
129.06972	0.7
131.08565	9.0
133.10109	19.7
133.11064	1.5
135.11691	11.1
139.11186	1.0
145.10080	4.4
147.11630	4.8
149.09544	0.7
149.13228	5.9
151.11191	6.1
153.12805	0.8
159.11685	7.1
161.13304	3.2
163.14665	0.8
165.97939	0.7
169.12268	1.2
171.11635	1.0
171.94138	0.7
173.13274	2.7
175.14821	0.9
177.12769	2.7
183.13812	2.3
184.07397	0.7
185.13300	0.9
187.13326	3.1
187.14870	1.6
195.13823	2.1
201.14856	0.9
227.16359	2.0
243.15935	1.0
243.21104	0.8
257.17438	1.6
259.20657	1.2
261.22168	3.1
269.17395	5.7
282.41547	0.8
301.20071	16.7
302.20502	0.9
317.24881	1.3
335.25766	32.3
336.26068	1.5
349.27493	0.8
363.25320	0.8
393.31689	1.4
411.32684	1.7
437.33936	1.1
452.84744	0.7
485.36386	1.6
503.37247	96.2
504.37671	5.9
517.38776	4.3
529.38837	13.3
530.39319	1.5
561.41449	97.4
562.41895	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	759.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05486	0.4
57.03428	3.0
61.02922	1.9
66.51222	0.3
68.99795	0.8
69.03413	2.5
69.65623	2.4
71.01344	0.6
71.04984	10.7
73.02905	3.3
75.04462	0.6
81.03400	0.9
83.04977	2.4
85.02893	18.0
87.04446	0.5
88.38091	0.3
91.03949	1.1
95.04958	0.3
97.02882	4.4
102.19067	0.3
108.49861	0.4
109.02863	0.8
111.00790	2.3
111.04415	1.3
115.03928	2.4
125.02355	0.3
127.03884	1.5
129.05455	3.6
131.18826	0.3
133.04941	0.7
137.02332	1.6
145.04926	1.0
147.06487	2.2
153.01808	8.7
163.03867	0.6
163.05980	0.9
165.01804	3.5
166.02591	0.7
177.05411	0.4
179.03389	1.2
183.02914	1.0
189.05392	1.0
191.03317	0.3
195.02994	0.4
203.03284	0.5
207.02859	0.5
217.04945	3.2
225.07570	0.9
229.04958	0.9
235.02582	0.3
241.07048	0.6
245.04422	3.8
263.05551	0.5
273.03882	3.8
286.12283	0.3
290.04218	1.1
301.03336	0.7
303.04947	7.6
315.05038	0.3
319.04449	100.0
320.04816	2.5
329.03067	0.4
331.04474	1.0
361.05435	1.8
385.05426	1.1
427.06610	0.4
463.08643	0.7
464.51715	0.3
465.10147	0.7
481.09778	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.60608	0.3
55.01865	0.7
55.05506	3.1
55.06478	0.3
56.05017	0.9
57.03432	2.7
57.07057	0.5
58.06609	0.5
60.07869	0.4
60.08151	6.1
61.32922	0.3
64.13670	0.3
65.03924	0.5
67.05497	10.2
69.03404	0.6
69.07056	2.2
69.85163	1.3
71.04987	0.8
71.07371	3.7
79.05479	7.6
81.03407	11.7
81.06570	0.6
81.07043	11.0
83.04964	1.1
83.08601	3.0
84.11813	0.3
85.02876	0.3
86.09692	30.6
91.05466	6.0
93.06461	0.6
93.07028	8.1
94.07330	0.3
95.04953	4.1
95.08589	6.4
97.02877	0.7
97.06490	0.8
97.10137	1.1
98.21530	0.4
98.98445	3.3
104.10733	2.7
105.07019	4.3
107.04906	0.8
107.08586	5.0
109.06484	0.9
109.10143	2.9
111.08041	0.8
115.05451	0.3
117.07005	1.6
119.08546	3.8
120.08958	0.3
121.06485	0.5
121.10126	3.9
123.04529	0.3
123.08046	0.5
123.11666	1.1
124.99984	21.2
125.09576	0.7
129.06987	1.2
131.08542	2.7
133.06480	0.4
133.10124	2.2
135.08018	0.4
135.11652	1.9
137.09563	0.4
143.08560	0.5
145.10100	1.7
147.07999	0.7
147.11668	2.6
149.09587	0.9
149.13243	1.2
155.08652	0.4
157.10094	1.8
159.11699	1.3
160.25548	0.3
161.13234	0.8
163.11177	0.4
163.14822	0.4
165.12785	0.3
171.11613	0.4
173.13213	0.9
175.11186	1.5
175.14685	0.3
184.07314	100.0
185.07594	0.4
185.13141	0.5
193.12184	3.0
201.16180	0.3
207.86888	0.3
215.27972	0.3
227.12682	0.6
243.21132	0.7
249.14717	0.4
261.22113	2.4
267.15881	12.0
270.17746	0.3
285.16931	0.9
301.25317	0.7
307.63821	0.3
317.24872	0.5
335.25769	12.0
336.26013	0.6
347.74057	0.3
413.31061	0.3
421.25647	0.3
435.27246	0.3
435.32599	0.7
453.33588	0.9
471.34555	0.7
489.36038	0.3
518.31665	0.3
527.37268	7.8
545.38245	6.8
546.37903	0.4
563.39038	0.6
638.45636	0.3
710.43658	4.6
711.44019	0.4
760.43311	2.0
761.41132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01873	0.4
55.05507	2.1
56.05030	0.8
57.03432	1.6
58.06606	0.5
60.08155	6.4
65.03919	0.4
67.05497	5.7
69.03432	0.2
69.07056	1.6
69.39949	1.3
69.40379	0.7
70.06567	0.2
71.04974	0.3
71.07362	3.6
79.05481	5.3
81.03407	8.6
81.07043	6.4
83.04975	0.6
83.08616	2.2
85.02909	0.4
86.09693	29.7
87.10036	0.3
91.05462	4.2
93.07030	5.2
95.04951	2.6
95.08591	4.2
97.06530	0.5
97.10160	0.7
98.98452	2.7
99.08078	0.2
104.10740	2.1
105.07021	3.0
107.04950	0.7
107.08576	2.9
109.06512	0.8
109.10152	1.7
110.10494	0.2
111.08047	0.6
117.07005	0.8
119.08557	2.5
121.06457	0.2
121.10130	2.4
123.08005	0.4
123.11703	0.7
124.99988	21.3
125.09596	0.6
129.06987	0.9
131.08543	2.1
133.06464	0.3
133.10120	1.9
135.11694	1.5
137.09654	0.3
142.07735	0.4
143.01056	0.3
143.08589	0.3
145.10106	1.4
147.08034	0.3
147.11673	1.5
149.09628	0.8
149.13211	0.6
157.10110	0.9
159.11728	0.6
161.13214	0.4
163.11113	0.3
163.14844	0.5
165.12727	0.4
173.13200	0.5
175.11177	0.8
175.14790	0.3
184.07314	100.0
185.07684	0.9
185.13260	0.3
187.14687	0.3
189.11223	0.5
193.12204	2.2
201.16257	0.3
227.12691	0.7
243.21121	0.4
261.22107	1.7
261.94702	0.2
267.15863	9.0
273.14365	0.2
301.25107	0.5
317.24738	0.3
335.25723	7.6
336.26181	0.5
396.21216	0.2
435.32501	0.7
453.33344	0.7
471.34540	0.5
509.35858	0.4
527.37195	5.4
545.38306	4.0
563.39215	0.4
569.37964	0.3
710.43713	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	761.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30955	1.0
57.03408	1.1
60.34874	1.2
67.05498	4.6
69.07074	1.2
71.10627	2.4
79.05473	2.4
81.03439	1.2
81.07056	3.6
91.05474	1.8
93.07049	2.9
95.08627	4.4
136.25438	1.0
138.84464	1.2
152.37321	1.1
184.07353	1.4
187.64316	1.2
229.14526	1.4
235.90685	1.1
254.12999	1.0
318.77747	1.1
335.25510	1.7
412.73816	1.2
483.16278	2.3
546.38898	1.7
596.14124	1.5
761.38641	100.0
762.38879	7.7
793.08990	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	761.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01861	0.8
55.05503	1.1
56.38536	0.5
57.03423	2.2
59.04988	1.5
61.02921	5.3
65.23175	0.5
65.27960	0.5
67.05494	3.0
69.03411	3.3
69.07055	1.0
69.91724	2.5
71.04979	2.3
73.02920	3.1
79.05479	4.0
81.03406	6.9
81.07059	4.8
83.04968	1.5
83.08610	1.5
85.02895	4.9
91.03954	2.2
91.05458	4.9
93.07045	2.9
95.04961	2.7
95.08591	2.2
97.02871	4.3
97.06536	1.3
98.20789	0.7
99.00848	0.7
99.04429	1.0
101.02361	1.7
103.27129	0.5
105.07031	3.5
107.04937	0.6
107.08607	2.1
107.34853	0.5
109.02859	1.3
109.06480	0.9
109.10130	0.6
111.08085	1.0
119.08583	2.2
121.10150	4.0
123.08022	0.7
125.09612	0.7
127.03893	0.8
129.06979	1.6
131.08545	2.5
133.10143	1.7
147.08083	0.5
147.11682	2.5
149.09589	3.3
153.99767	0.6
157.10155	2.2
163.11201	0.8
173.91812	0.6
175.11197	1.5
184.07362	0.8
193.12233	3.1
197.15408	1.0
221.82582	0.6
225.14912	1.7
241.01604	0.6
243.08298	3.2
251.11417	0.6
253.45490	0.5
262.52249	0.5
267.15982	1.9
283.06293	2.4
283.15164	6.5
301.07150	0.6
339.17960	1.9
441.20898	0.7
461.04144	0.5
469.20572	1.0
501.23019	30.7
502.23517	1.0
599.34009	1.0
761.39178	100.0
762.39636	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	762.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
55.17606	0.1
56.05025	0.6
58.06630	0.4
59.07388	0.1
60.08157	5.9
62.38342	0.1
67.05498	0.5
69.80906	0.6
71.07362	3.0
79.05476	0.2
81.03403	0.3
81.07056	0.4
83.23356	0.1
85.02885	0.2
86.09694	29.2
87.10033	0.3
91.05502	0.2
91.15260	0.1
93.07014	0.3
95.08588	0.2
98.98451	2.8
104.10734	1.7
105.07024	0.2
122.73186	0.1
124.99988	19.5
133.10149	0.1
143.01039	0.3
160.34253	0.1
184.07315	100.0
185.07660	1.3
223.35306	0.1
242.04967	0.1
250.00053	0.1
267.15863	0.1
337.27216	0.1
450.22644	0.2
547.38983	0.1
589.52338	0.2
622.47675	0.1
663.17279	0.1
712.45398	4.9
713.46405	0.5
762.39862	0.2
763.42133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15779	0.1
56.05028	0.6
56.95948	0.1
57.03440	0.1
58.06345	0.2
58.06621	0.4
58.47269	0.1
59.07391	0.2
60.08155	6.2
62.38018	0.1
67.05495	0.4
69.07054	0.2
71.07364	2.8
79.05487	0.2
81.03402	0.3
81.07033	0.3
86.09693	29.5
87.10034	0.3
91.05473	0.1
93.07046	0.3
95.04973	0.1
95.08575	0.2
98.98448	3.0
104.10727	2.1
107.08551	0.1
124.99985	18.9
133.10040	0.1
143.01018	0.3
184.07310	100.0
185.07684	1.1
267.15848	0.3
337.27118	0.2
359.92349	0.1
520.33539	0.3
529.39172	0.3
663.96234	0.1
712.45361	5.5
713.45605	0.6
763.41028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01859	5.6
55.05506	6.7
57.03451	0.7
57.07069	13.1
62.06058	0.6
64.26551	0.4
65.03921	0.6
65.21013	0.4
67.05497	10.7
69.03400	0.5
69.07058	6.0
69.67530	3.0
71.08618	7.0
79.05476	7.2
81.07050	34.4
82.07398	0.7
83.04973	2.8
83.08614	3.9
85.10167	2.5
86.09710	0.4
88.85246	0.4
90.19637	0.4
91.05471	3.0
93.07034	5.1
95.04976	0.6
95.08598	13.3
97.06519	1.2
97.10171	1.1
98.98458	1.5
105.07008	4.2
107.08579	5.1
109.06502	12.9
109.10152	4.9
111.03685	0.9
111.04428	14.7
111.08047	0.6
113.06025	0.5
117.07024	1.1
119.08570	5.0
121.10174	3.8
123.08060	1.6
123.11691	2.4
125.05982	5.9
131.08551	2.2
133.10104	4.5
135.08038	3.0
135.11687	3.2
136.07526	0.4
137.05962	100.0
137.09593	1.3
137.13220	1.0
138.06294	1.6
139.07489	0.8
142.07808	0.6
143.08549	1.3
145.10083	2.4
145.76234	0.4
146.07242	0.4
147.08046	1.8
147.11674	5.6
149.09627	3.5
149.13245	1.3
151.07507	2.9
151.11182	1.1
157.10117	1.6
159.11716	0.9
161.09601	5.9
161.13190	2.2
163.11180	2.6
165.09113	1.9
165.12756	0.8
167.10619	0.9
168.28938	0.4
171.11653	1.5
175.11169	4.5
175.14780	0.7
177.12662	0.8
179.10641	0.9
185.13229	0.6
189.12740	0.9
193.12215	0.5
203.17964	3.9
213.16339	2.0
221.19029	1.4
225.35477	0.5
231.17442	3.5
241.15906	1.0
248.20166	0.6
249.18417	2.9
276.19592	0.7
277.14862	0.9
277.17944	14.9
282.27902	1.8
295.18979	5.5
309.20416	0.6
313.27383	1.3
320.22281	2.5
546.78729	0.5
551.91907	0.5
589.44580	29.6
590.45111	2.7
621.47186	21.2
622.47461	1.2
730.46655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.5
59.85312	0.5
60.08152	6.5
71.07368	4.0
71.45363	0.7
71.45709	0.6
85.34016	0.5
86.09692	30.8
87.09518	0.5
87.10027	4.3
91.05453	0.6
93.07006	0.7
95.08554	0.6
98.98450	3.8
104.10703	1.9
110.80145	0.6
124.99983	21.8
126.00329	1.1
154.83510	0.5
182.89021	0.5
184.07312	100.0
185.07672	12.0
216.45293	0.5
228.58495	0.5
278.24780	0.6
422.25864	0.6
713.45569	4.4
763.40302	30.1
764.40308	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	763.401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.5
59.85312	0.5
60.08152	6.5
71.07368	4.0
71.45363	0.7
71.45709	0.6
85.34016	0.5
86.09692	30.8
87.09518	0.5
87.10027	4.3
91.05453	0.6
93.07006	0.7
95.08554	0.6
98.98450	3.8
104.10703	1.9
110.80145	0.6
124.99983	21.8
126.00329	1.1
154.83510	0.5
182.89021	0.5
184.07312	100.0
185.07672	12.0
216.45293	0.5
228.58495	0.5
278.24780	0.6
422.25864	0.6
713.45569	4.4
763.40302	30.1
764.40308	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	763.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
57.03424	2.1
61.02912	4.3
63.41603	0.7
67.05491	3.1
69.03429	4.2
69.03786	0.7
69.07053	1.6
70.58507	0.7
71.04964	0.9
73.02917	3.6
79.05461	4.9
81.03401	3.3
81.07043	3.6
83.08603	1.8
85.02899	5.6
86.09689	1.2
91.03952	2.9
91.05450	4.0
93.07022	3.6
95.04960	2.2
95.08590	1.4
97.02869	4.8
97.06528	0.9
101.02364	2.1
105.06995	3.9
106.07327	0.8
107.08605	1.6
109.06522	1.2
119.08613	2.2
121.10126	2.2
124.99988	0.7
125.09608	0.9
127.03875	1.1
131.08572	1.7
133.10126	2.0
135.11697	0.7
147.11681	1.3
157.10170	0.7
184.07292	1.9
189.63411	0.7
193.12263	1.3
203.05272	0.8
238.98836	0.9
243.08374	3.4
301.08884	1.5
307.15417	0.8
315.10248	0.9
469.20349	10.9
535.28662	4.2
541.22510	1.8
763.42218	100.0
764.42474	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	763.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
54.67299	1.0
55.05503	1.6
57.03435	1.6
61.02922	3.5
62.08052	1.0
67.05492	6.8
69.03429	2.9
69.07056	2.0
71.04980	1.0
71.53068	1.2
73.02912	2.0
79.05496	4.3
81.03402	3.0
81.07056	5.9
83.04989	1.6
85.02880	5.1
86.09697	2.6
91.03926	1.9
91.05485	3.6
91.72133	1.0
93.07030	5.1
95.05019	1.2
95.08604	3.1
97.02888	3.7
99.04465	1.4
101.02406	2.1
105.07024	2.7
107.08585	3.2
109.10180	1.1
117.07044	1.0
121.10121	1.3
125.00021	1.6
127.03951	1.6
131.08521	1.7
133.10156	1.7
143.09554	1.0
149.13278	1.3
151.10956	1.1
176.02798	1.0
179.03433	1.2
184.07292	9.1
185.07590	1.4
235.13098	1.5
243.08469	2.5
333.20554	1.5
453.20810	8.1
551.28003	4.8
609.91772	1.2
763.42249	100.0
764.42432	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	763.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05495	1.5
57.03431	2.8
58.86575	0.9
60.08160	1.7
61.02925	5.5
66.12926	1.0
67.05482	5.6
69.03429	3.7
69.07056	2.2
71.01353	1.0
71.07363	1.2
73.02893	2.5
79.05476	4.9
81.03410	3.0
81.07059	7.3
83.08649	1.2
85.02892	5.4
86.09715	3.7
87.10042	1.1
91.03978	2.0
91.05467	4.4
93.07010	4.5
95.04961	1.2
95.08616	3.7
97.02909	4.2
97.06530	1.5
99.04434	1.0
101.02386	1.5
105.07054	1.7
106.52389	0.9
107.08601	3.8
109.10180	1.8
117.06994	1.2
119.08594	1.7
121.10117	1.7
125.00001	3.4
127.03915	1.5
131.08524	1.4
133.10115	2.4
135.11679	1.4
145.10153	1.1
171.74791	1.0
184.07315	16.5
185.07671	2.4
235.13162	1.2
243.08340	2.2
453.20740	8.0
468.30969	1.0
469.20523	1.3
530.01965	1.0
535.28735	1.9
551.28265	5.3
596.65277	1.0
745.42871	1.3
763.42303	100.0
764.42999	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	763.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.86914	0.6
55.05509	2.2
57.03430	2.8
58.03258	0.6
61.02922	8.4
67.05492	6.8
69.03422	4.6
69.07068	1.8
70.73390	2.4
71.04984	3.4
73.02924	4.6
79.05499	5.0
81.03416	3.3
81.07051	9.5
81.56271	0.6
83.08611	1.0
85.02888	6.0
91.03940	4.2
91.05492	2.9
93.07023	4.5
95.04984	1.0
95.08593	4.8
97.02875	5.9
99.04448	1.8
101.02374	2.4
105.07040	1.9
107.08585	3.3
109.02868	1.1
109.10164	2.7
115.03922	0.8
119.08584	1.1
121.10137	1.8
123.11653	1.1
127.03938	2.1
131.08566	1.1
133.10147	2.2
135.11671	1.2
145.10124	0.9
150.15947	0.7
159.11711	0.9
178.78545	0.9
185.04231	1.4
224.17946	0.6
227.39429	0.8
243.08435	3.5
261.22913	0.7
267.15723	1.6
333.14996	1.0
408.87283	0.8
485.23605	5.1
519.29022	11.0
763.45984	100.0
764.45789	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	765.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.03432	2.3
57.26609	0.7
60.08157	1.6
61.02926	6.4
67.05501	5.8
69.03434	3.8
69.07066	1.0
71.07377	1.2
71.43399	0.9
73.02916	3.8
79.05489	4.4
81.03400	3.4
81.07039	4.7
83.04991	0.9
83.08598	0.9
86.09697	9.4
87.10030	1.9
91.03965	3.9
91.05476	2.8
93.07036	4.0
95.04977	1.5
95.08605	4.1
97.02888	4.2
98.98489	0.8
99.04493	1.0
101.02388	1.6
104.10755	0.8
105.07029	2.1
107.08614	2.6
109.02850	0.9
109.10178	1.7
119.08614	1.4
121.10171	2.4
124.99977	4.9
127.03915	1.6
131.08589	1.5
133.10107	1.4
145.10211	0.8
147.11749	0.8
152.01628	0.8
160.45815	0.7
184.07330	30.7
184.08955	1.6
185.07686	5.1
187.15002	0.7
199.56049	0.9
207.04504	0.7
214.23550	0.7
217.28551	0.7
243.08510	3.3
269.13724	1.6
299.31592	0.8
335.25690	0.9
350.94727	0.8
360.59137	0.8
443.18961	4.3
469.20602	1.7
487.21576	3.9
519.29218	8.2
534.11572	0.8
675.44299	2.1
721.42004	1.2
747.42828	2.3
765.43872	100.0
766.44330	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	768.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.0
55.05254	1.2
55.05505	20.8
57.03437	5.6
61.02919	1.1
62.79099	0.9
65.03925	1.1
67.05498	35.5
69.03417	6.4
69.06714	1.7
69.07061	25.6
71.04974	2.4
79.05486	45.8
79.05950	2.2
81.03413	7.9
81.07050	33.1
83.04968	9.6
83.08614	9.9
85.02847	1.1
85.06496	2.1
88.95146	1.0
91.05472	35.8
93.07034	40.6
94.07348	1.1
95.04961	15.6
95.08601	18.4
97.02872	6.8
97.06544	4.8
97.10157	11.2
105.04510	1.2
105.07024	28.5
107.04945	9.5
107.08578	15.8
109.02924	1.0
109.06478	5.5
109.10149	6.8
111.08063	2.5
115.05341	1.0
117.07014	10.0
119.04973	1.4
119.08569	19.8
121.06510	5.0
121.10123	5.8
123.08107	5.2
125.09610	7.8
128.06180	2.0
129.06989	9.8
130.07632	0.9
131.08560	8.9
133.06458	3.6
133.10118	8.0
134.07257	1.0
135.08020	2.5
135.11658	2.7
137.09587	1.9
143.08562	6.2
145.06445	1.6
145.10094	6.8
147.08031	6.1
147.11668	18.9
149.09589	1.6
149.13240	1.6
153.09146	1.0
156.09279	1.1
157.10097	3.2
159.08054	1.6
159.11684	3.0
161.09601	3.7
161.13232	6.0
162.10349	1.0
163.11183	1.3
165.09090	1.4
169.10149	1.2
171.11676	12.5
173.13300	1.1
175.11171	1.8
177.12669	1.5
189.11156	3.0
189.12715	5.4
207.13773	13.0
208.13899	0.9
211.12888	1.0
222.87659	1.0
223.13228	13.1
225.14891	1.0
227.12703	3.9
229.23814	1.1
245.82288	0.9
249.14719	2.7
263.16394	1.2
273.18475	12.3
281.17456	40.7
282.17923	1.5
284.06485	0.9
291.19516	72.8
292.19949	2.1
302.72385	0.9
347.22153	1.7
365.23227	26.7
366.23489	1.1
408.50534	1.2
451.26950	0.9
473.28851	3.3
491.30057	1.1
539.63434	1.1
553.34863	2.5
571.36218	100.0
572.36365	4.8
589.36957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26987	1.6
55.01867	10.3
55.05501	21.9
57.03440	9.7
57.07065	1.6
65.03927	6.0
67.05496	89.7
69.03423	5.4
69.07060	18.7
71.04980	8.8
71.53918	2.9
75.98740	1.6
77.03914	2.1
79.05481	94.7
81.03414	14.2
81.07045	83.1
83.01287	1.8
83.04974	16.8
83.08616	9.8
84.86569	1.7
85.02885	2.2
85.06532	8.7
91.05470	94.0
92.05810	2.0
93.07028	85.6
95.04954	24.8
95.08596	38.3
97.06512	7.6
97.10172	2.4
99.04438	2.1
103.05434	4.5
105.04494	3.0
105.07015	73.1
107.04933	15.0
107.08578	48.6
109.06496	13.2
109.10139	46.0
110.10469	2.1
111.08060	3.7
113.05970	4.1
115.05413	2.6
117.06992	17.1
119.04958	2.4
119.08563	30.9
121.06485	10.8
121.10133	16.1
123.08025	11.0
123.11689	7.3
127.07560	2.5
128.06206	5.7
129.06981	17.1
131.08545	17.8
133.06450	9.1
133.09096	3.3
133.10110	69.2
135.08044	12.3
135.11636	7.2
137.09604	4.7
139.07542	1.8
141.06963	2.5
143.08536	12.6
145.10110	15.9
147.08052	6.2
147.11661	37.7
149.09569	9.7
151.11171	29.2
153.06764	1.8
157.10130	5.2
159.07979	3.0
159.11690	6.4
159.39166	1.6
161.09615	12.6
161.13197	12.3
163.11198	3.2
165.09045	2.8
169.10062	3.4
169.12247	6.2
171.11662	24.8
173.09637	2.6
173.13307	2.7
175.11160	5.8
177.09132	3.1
179.10567	2.2
185.13232	2.3
189.12682	12.9
205.12149	1.8
207.13763	24.3
209.00244	1.5
215.12720	2.8
221.12907	1.7
225.14867	2.2
245.19067	6.1
251.12733	6.9
253.14316	100.0
254.14766	2.0
255.17365	4.6
263.20081	4.5
273.18460	36.6
275.20087	2.3
281.17432	58.3
291.19507	41.5
309.20609	4.7
346.27863	1.8
347.22202	13.0
365.23212	35.5
366.23419	2.0
390.33255	1.8
402.64761	1.7
475.26639	3.6
477.22217	2.2
477.28458	26.3
553.35297	17.9
571.36237	95.4
572.36511	6.5
768.44470	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	770.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.7
55.05257	2.8
55.05505	36.6
57.03426	13.6
59.04980	3.2
60.62706	2.1
67.05167	3.5
67.05497	46.1
69.03428	10.3
69.07063	26.6
71.04974	4.7
71.53926	4.2
73.02890	2.2
79.05481	49.9
81.03419	15.9
81.07047	37.7
82.54094	2.4
83.01322	8.0
83.04965	17.3
83.08603	18.3
85.02870	7.2
85.06477	2.2
87.04454	2.1
91.05470	38.3
93.06476	2.7
93.07034	44.6
95.04949	17.7
95.08598	17.2
97.02876	12.3
97.06506	8.5
97.09645	1.9
97.10159	17.0
99.04414	4.0
103.05418	3.5
105.07018	34.8
107.04935	12.4
107.08569	20.0
109.06484	7.6
109.10144	10.6
111.08067	3.3
117.07010	16.5
119.04883	2.4
119.08575	28.8
121.06493	3.7
121.10113	13.0
123.08066	12.4
125.05977	2.1
125.09619	10.7
129.06943	8.2
131.08548	13.0
133.06482	3.0
133.10107	11.7
135.08057	4.1
135.11671	12.2
137.09589	4.1
143.08537	4.3
145.06433	4.0
145.10098	20.2
147.08041	7.6
147.11700	11.4
149.09616	4.7
151.11127	2.4
155.08557	2.9
157.10077	3.2
159.11670	6.8
161.09570	3.2
163.11154	20.6
171.11673	5.0
173.13217	2.3
175.11136	3.9
177.12773	3.2
181.12123	3.2
183.11592	2.3
183.38638	2.2
185.13274	3.7
189.11201	3.7
193.12297	2.5
197.13162	2.1
207.13710	4.8
209.11661	3.5
223.13245	17.4
227.12747	8.1
249.14952	2.8
253.14281	3.2
257.18817	3.2
263.16406	2.6
267.15839	8.7
273.18451	12.0
275.19943	6.9
281.17371	9.0
283.15350	82.1
283.18484	4.5
291.19504	100.0
292.19717	3.2
347.22006	2.9
349.23709	4.7
365.23218	45.9
475.30399	2.5
493.27835	4.2
541.35242	19.2
555.36267	4.0
573.34113	93.3
574.34094	7.2
608.43390	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	770.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30341	1.3
55.01853	4.4
55.05504	18.4
57.03429	8.3
59.04978	2.0
65.03945	1.4
67.05495	27.3
69.03406	4.4
69.07047	6.3
70.13461	2.8
70.13857	3.2
71.04978	5.2
71.66410	1.3
73.47679	1.5
79.05483	28.0
81.03409	62.7
81.07048	25.1
82.03703	1.6
83.04999	8.2
83.08611	24.8
85.02897	7.3
91.05469	23.1
92.18432	1.7
93.07034	20.6
95.04954	23.2
95.08578	10.4
97.02843	3.6
97.06525	2.8
97.10155	17.3
105.07016	18.2
107.04939	13.9
107.08579	15.0
109.06485	5.8
109.10149	7.8
111.04404	2.0
111.08067	9.5
115.05460	2.2
117.06968	7.0
119.04958	2.6
119.08564	16.5
121.06487	11.3
121.10129	9.9
123.04416	1.8
123.08021	4.7
123.11678	2.1
125.09616	15.3
127.35721	1.3
129.06992	11.6
131.04877	1.7
131.08524	11.3
133.06462	4.7
133.10078	7.9
135.08041	5.7
135.11662	2.1
137.09575	2.7
143.08504	2.1
145.06458	5.6
145.10088	5.6
147.04367	2.0
147.08015	5.5
147.11691	10.5
149.09607	6.2
153.09070	3.2
155.08528	2.8
157.06519	1.8
157.10132	11.0
159.11646	3.0
161.05972	2.1
161.09512	2.0
163.11182	4.0
165.12695	3.2
167.08522	1.8
171.07982	1.6
171.11711	2.5
173.09604	2.8
175.11168	9.1
177.12764	1.5
185.13184	1.9
189.09425	1.3
189.11188	6.6
193.12241	22.7
195.11607	1.9
197.13248	2.2
199.11163	1.8
205.12231	1.8
211.13266	12.1
215.14354	2.2
219.13907	2.8
227.12613	8.9
233.15262	6.8
237.12604	1.8
255.13795	2.2
267.15857	40.8
273.14792	7.0
285.16965	2.3
287.16498	1.9
288.61115	1.7
293.17474	1.7
301.14319	2.1
339.23093	4.2
349.21542	4.9
357.24240	2.1
367.22607	11.9
385.23700	19.6
403.24719	8.0
429.20862	1.7
433.25668	3.8
441.26315	10.4
459.27347	84.0
460.27478	2.2
477.28442	100.0
478.28677	4.2
485.38657	1.5
491.30078	14.4
501.28061	2.2
509.30981	14.6
567.29120	1.8
573.29761	1.5
585.30231	4.6
603.31384	4.9
621.32526	7.4
733.73334	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	770.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.7
55.05506	16.6
57.03424	6.8
57.07056	1.9
57.97697	0.9
61.02914	1.5
65.03934	2.0
67.05493	55.4
67.81606	0.9
69.03406	5.5
69.07056	16.3
69.43584	2.3
69.43982	8.7
71.04984	3.6
73.06559	1.7
77.03899	1.7
79.05481	56.0
81.03406	10.7
81.07045	55.4
83.01320	1.2
83.04961	13.9
83.08601	10.7
85.02885	2.2
85.06520	2.9
90.78843	1.1
91.05466	45.6
93.07029	53.1
95.04954	16.2
95.08591	25.3
95.22604	0.9
97.02895	2.1
97.06512	9.5
97.10165	3.4
98.21465	1.2
99.04411	1.4
99.08064	1.8
105.04489	1.4
105.07016	37.1
107.04916	7.8
107.08578	25.8
109.06503	7.7
109.10129	12.0
111.08089	2.5
117.06991	10.6
119.08562	21.4
121.06504	4.4
121.10126	11.6
123.08066	5.4
123.11700	2.9
127.03890	1.6
127.07514	1.2
128.06169	2.0
129.07010	8.7
130.07759	1.3
131.08540	10.7
133.06487	2.5
133.10104	23.8
135.08041	3.9
135.11678	7.3
137.09616	2.2
138.53473	1.1
141.06993	1.4
141.09102	1.4
143.08553	7.4
145.10101	12.0
147.08025	1.6
147.11659	20.6
149.09579	6.4
149.13231	4.9
151.11160	6.4
157.10054	2.0
159.11697	6.3
161.09616	4.7
161.13214	7.9
163.11179	6.4
169.10071	1.3
169.12158	1.6
171.11667	14.1
173.09560	1.4
173.13237	2.9
175.11166	1.1
177.12761	2.7
179.14189	1.2
181.12135	1.6
185.13220	1.4
187.14796	1.3
189.11176	1.7
189.12695	7.3
195.13803	3.8
207.13762	17.1
209.11618	1.0
225.14732	2.0
227.12810	2.4
230.00012	1.0
239.17856	1.5
253.14297	25.5
255.15797	6.4
257.18945	4.4
269.17474	16.4
273.18518	5.4
274.39792	1.0
275.20062	14.5
281.17432	45.7
282.17761	1.2
283.15405	7.4
291.19528	5.5
293.21497	1.3
302.85532	1.1
331.22531	1.2
349.23657	9.6
365.23227	4.2
367.24957	1.0
396.65131	1.1
413.21744	1.4
432.65875	1.1
453.28296	1.1
457.29620	1.8
461.28931	25.6
475.30487	100.0
476.30725	5.5
479.26468	5.0
491.30103	1.3
515.33423	1.1
537.35797	1.4
555.36932	17.4
573.33752	10.8
574.34351	1.7
619.34332	2.8
739.41162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.5
55.05258	2.1
55.05505	27.3
57.03429	8.6
57.07067	1.5
61.02903	1.9
65.03928	3.5
67.05497	78.9
68.05817	1.4
69.03405	5.2
69.07055	31.0
69.44178	4.7
69.44606	6.9
71.04965	5.1
73.02882	1.7
77.03917	1.8
79.05483	97.8
81.03414	18.8
81.07047	87.6
83.04977	21.6
83.08611	12.9
83.14099	1.4
85.02888	2.9
85.06499	2.7
86.09681	1.7
91.05470	76.1
93.07034	88.0
95.04955	24.6
95.08594	37.6
97.02878	3.1
97.06520	17.2
97.10153	6.5
97.58883	1.3
98.20772	3.2
99.08063	3.1
99.49958	1.3
103.05475	2.0
105.04519	1.7
105.07015	55.6
106.22592	1.4
107.04942	14.7
107.08576	30.5
109.02859	1.8
109.06484	10.0
109.10133	12.2
111.04401	1.9
111.08056	6.5
113.09664	1.4
115.05417	2.4
117.07001	21.2
119.08571	35.0
120.08112	1.8
120.08974	1.4
121.06519	4.5
121.10136	13.4
123.08072	6.9
123.11669	1.9
125.09622	3.7
127.03889	1.9
128.06189	4.2
129.07002	19.3
131.08559	16.8
133.06468	2.4
133.10126	26.1
135.08066	3.9
135.11688	15.5
137.09637	1.8
141.06947	1.5
143.08514	11.3
145.06548	1.4
145.10094	21.8
147.08028	3.3
147.11670	39.3
149.09602	10.1
149.13239	7.2
151.11153	2.7
155.08519	1.5
157.10152	3.9
159.11676	12.6
161.09572	4.2
161.13231	11.6
163.11154	12.0
169.10173	3.1
171.11665	26.5
173.04466	2.2
173.13144	2.9
177.12756	4.0
179.14305	2.1
179.53745	1.6
181.12163	1.7
183.11630	1.7
187.11327	1.5
189.11201	2.9
189.12668	10.3
195.13782	4.4
200.01891	1.5
207.13786	26.6
225.14925	2.4
227.12740	6.4
229.19571	2.3
239.18001	2.3
247.20540	2.1
253.14293	6.9
255.15933	5.8
257.18979	8.3
267.15875	2.7
269.17496	15.1
273.18427	1.9
275.20071	26.4
281.17447	64.8
283.15286	3.8
293.20932	2.2
331.22256	1.5
349.23734	18.2
367.24792	3.1
435.27640	2.5
451.26590	1.9
461.28940	29.3
475.30521	100.0
476.30856	5.5
537.35492	3.1
537.43549	1.8
555.36761	35.7
556.37006	1.7
573.37323	5.8
619.34753	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	771.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
55.05396	8.6
55.05699	3.0
57.03318	4.7
57.03636	1.6
57.06954	1.6
57.07257	1.0
61.02800	12.8
61.03156	3.8
61.03334	0.5
61.17191	0.6
65.03833	1.2
67.05373	19.2
67.05779	4.7
69.03296	7.9
69.03698	1.6
69.06934	7.3
69.07340	1.8
69.54191	1.1
69.54585	4.0
71.01232	1.4
71.04866	1.8
71.05230	0.6
71.08527	0.7
73.02779	7.4
73.03233	1.7
79.05350	13.7
79.05863	2.4
81.03275	4.3
81.06909	17.1
81.07439	2.7
83.04836	1.8
83.08469	4.4
85.02754	13.5
85.03321	2.0
85.06417	1.3
91.03797	7.4
91.04432	0.7
91.05327	11.2
91.05961	1.5
93.06886	15.6
93.07528	1.9
95.04815	2.1
95.08444	16.2
95.09122	2.0
97.02728	10.8
97.03406	1.2
97.03794	0.6
97.06379	1.9
97.10008	3.4
98.21436	0.6
99.04346	1.2
99.07996	0.6
101.02216	2.3
102.96637	0.5
103.05351	1.0
105.06855	13.2
107.04817	1.2
107.08424	10.4
107.09200	0.8
109.02749	1.2
109.06418	0.6
109.09984	6.9
109.48470	0.5
111.07944	0.7
115.05298	1.5
117.06840	8.1
117.07730	0.7
119.08397	11.7
121.09957	7.6
123.07924	1.2
123.11514	1.7
125.09450	1.5
127.03741	2.0
128.06027	2.3
129.05383	0.6
129.06815	9.3
130.07709	0.7
130.87198	0.5
131.08376	10.7
131.51889	0.5
133.09937	9.5
135.07893	1.3
135.11671	4.5
137.09499	0.6
141.06973	4.3
142.07771	2.7
143.08546	12.0
143.09566	0.9
144.09094	0.7
145.04771	0.7
145.10110	11.9
145.11160	0.8
147.11681	6.2
149.09460	1.0
149.13072	2.2
149.14146	0.6
153.06902	1.1
154.07626	1.3
155.08524	9.4
156.09137	1.5
157.10120	12.1
158.10683	0.6
159.07877	0.6
159.11671	7.8
161.09415	0.8
161.13205	3.1
163.11020	1.0
163.14647	0.8
165.06732	0.7
166.07704	0.6
167.08549	4.7
168.09125	2.0
169.10097	13.0
170.10596	0.6
171.11687	9.8
173.13240	4.9
175.10983	0.6
175.14616	1.7
177.12704	0.5
178.07596	0.6
179.08383	1.9
180.09177	0.9
181.10126	6.1
181.11580	1.0
182.10750	0.9
183.11665	11.5
184.07184	0.6
184.12257	1.0
185.13228	7.3
187.14809	3.2
189.16245	1.1
193.10072	2.5
194.10698	1.0
195.11665	7.3
196.12273	1.3
197.13239	9.4
199.14784	4.9
201.16226	1.4
203.17764	1.0
205.09924	0.9
207.11713	3.2
208.12254	0.8
209.13248	5.3
210.13631	0.6
211.14771	6.3
213.16394	3.3
215.17772	0.9
219.11575	1.0
221.13300	3.2
221.15280	0.9
223.14783	4.9
225.16380	3.9
227.17706	1.7
233.13066	1.0
235.14659	2.1
237.16454	2.6
239.17941	2.7
241.19548	1.2
247.14578	1.4
249.16354	1.2
251.17899	1.1
253.19322	1.6
255.17125	1.1
261.16290	0.9
263.17688	1.1
265.19403	1.3
275.20090	0.7
279.21088	0.7
283.20334	0.8
293.18875	0.9
293.22336	0.6
307.20450	1.0
309.22058	1.8
311.23489	1.1
321.21970	1.3
323.23392	1.3
327.23080	0.9
335.26141	0.8
337.24951	1.7
351.27023	1.0
353.28534	0.7
363.26636	1.0
391.30185	1.0
393.27551	1.0
407.28799	0.7
417.31226	0.7
435.32419	0.7
447.32404	0.9
459.31305	0.6
499.39789	1.2
501.35422	0.7
513.36011	1.2
515.38220	1.1
517.40460	6.5
521.36670	0.7
527.37610	1.1
535.41760	2.9
539.37134	2.2
540.37671	1.0
541.39166	1.3
563.11462	0.6
573.43036	1.1
591.44104	5.8
607.43610	2.4
609.45056	100.0
610.45514	5.9
611.46423	1.0
621.44891	1.0
651.46240	1.1
717.46606	1.3
753.49005	1.8
771.50446	18.6
772.51154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.0
55.05503	33.4
57.03432	15.1
61.02908	6.0
65.03917	4.8
67.05494	95.6
69.03419	29.6
69.07060	26.5
69.85769	19.4
71.04980	9.5
79.05478	89.4
81.03400	68.4
81.07045	100.0
83.04981	17.6
83.08605	13.3
85.02883	9.9
85.06557	6.2
85.55440	3.3
91.05470	76.3
93.07033	85.3
95.04940	18.3
95.08584	60.1
97.02874	21.9
97.06522	14.6
97.10180	6.1
98.20829	7.4
99.04441	14.1
105.07009	54.0
107.04934	12.5
107.08562	46.0
109.02859	12.1
109.06490	6.7
109.10136	31.4
109.79884	3.1
111.04440	6.8
111.08066	6.0
115.05437	4.0
117.06976	32.6
119.08562	49.9
121.06520	6.5
121.10114	36.2
123.08083	9.8
123.11681	7.9
125.09700	6.1
127.03902	20.1
128.06189	5.6
129.05475	6.6
129.06981	14.2
131.08556	43.0
133.06516	4.7
133.10097	35.4
135.08037	6.3
135.11674	23.2
143.08540	14.0
145.06464	5.9
145.10100	27.2
147.08037	5.8
147.11656	21.1
149.09581	5.8
149.13237	10.0
155.08488	7.5
157.08936	3.6
157.10136	15.9
159.08055	4.9
159.11649	25.7
161.09546	4.2
161.13246	7.7
163.11137	4.0
167.08507	5.0
169.10098	9.2
171.11603	6.4
173.04454	26.1
173.09563	6.3
173.13235	14.6
175.11191	6.0
177.12723	6.9
179.14362	5.2
181.10118	5.2
183.11707	9.0
185.13203	9.2
187.11189	4.1
187.14766	5.6
195.11946	4.9
197.13206	6.6
199.14638	4.3
209.13264	4.1
223.14496	3.6
229.19653	5.4
234.35835	4.0
239.17950	6.9
247.20618	5.3
257.18915	18.4
259.20526	4.8
261.22076	5.3
275.20044	56.7
301.21606	7.0
321.16678	5.3
335.25812	35.9
349.23697	11.2
509.08252	4.4
529.29102	3.7
545.37891	5.2
581.46051	4.7
609.44873	39.7
673.42212	8.0
694.23254	3.9
771.50787	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	771.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05510	14.7
57.03427	7.3
57.07064	2.3
61.02918	17.4
67.05496	32.2
69.03419	8.5
69.07063	10.8
71.01338	1.6
71.04987	2.7
71.08615	1.4
71.54086	2.8
73.02900	8.9
79.05483	22.4
81.03403	8.6
81.07048	27.3
82.07329	1.8
83.04953	2.0
83.08609	8.4
85.02898	12.2
85.06514	1.5
91.03955	7.1
91.05460	20.1
93.07034	23.4
95.04953	4.4
95.08595	22.9
97.02876	13.4
97.06490	2.9
97.10132	4.8
98.61591	1.3
101.02364	2.6
105.07014	17.4
106.07348	2.2
107.04948	3.1
107.08576	17.1
109.02871	2.1
109.06519	3.9
109.10138	10.8
111.08075	2.3
112.22090	1.5
115.05429	1.7
117.07014	9.9
119.08564	16.0
121.06515	1.8
121.10114	11.1
123.08073	2.3
123.11681	4.6
125.09602	2.7
127.03900	2.8
128.06158	2.8
129.06992	10.4
131.08553	17.5
133.10123	10.8
135.08046	1.9
135.11674	5.1
141.07024	3.5
143.08545	13.4
145.05119	1.4
145.10106	12.7
147.07977	2.6
147.11650	6.6
149.02321	2.3
149.13278	2.6
154.07751	1.7
155.08522	9.7
157.10086	12.6
159.11671	10.2
161.13205	4.0
163.11191	1.7
167.08543	6.4
169.10078	11.2
171.11603	10.5
173.13246	4.5
179.08507	1.6
181.10123	7.8
181.14888	1.4
182.10852	1.8
183.11687	8.5
184.07330	4.8
185.13249	7.8
187.14821	4.2
193.09998	3.2
194.05344	1.3
195.11716	7.4
197.13242	10.4
199.14787	4.7
207.11824	3.3
209.13197	4.8
211.14798	5.8
213.16376	2.7
221.13165	3.9
223.14804	5.7
225.16327	3.9
227.18111	1.9
235.14729	3.3
237.16443	3.3
239.17834	2.5
247.14864	1.6
249.16322	1.8
251.18005	1.7
253.19598	2.0
261.22211	2.2
265.19479	1.8
267.15927	2.5
289.74637	1.5
335.25879	3.6
351.26797	2.0
367.26303	1.8
449.33987	1.7
517.40326	7.0
523.37976	1.7
525.35388	1.7
527.37189	4.0
535.41412	1.9
539.36969	2.1
541.37854	1.8
545.38135	5.8
591.43713	8.3
607.43060	2.1
609.45038	100.0
610.45020	8.9
651.45483	1.7
731.59363	1.9
735.47479	1.9
753.48724	3.4
771.50415	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	772.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40256	2.9
55.01859	7.3
55.05510	26.4
57.03428	17.7
65.03949	3.7
67.05492	58.2
69.03412	10.4
69.07047	12.9
71.04973	12.8
73.02912	3.4
79.05482	49.0
81.03408	70.4
81.07046	45.7
83.04964	17.6
83.08607	18.1
85.02889	9.4
91.05459	40.5
93.07034	54.2
93.94342	3.7
95.04955	56.6
95.08588	24.3
97.02879	13.8
97.06515	10.7
97.10161	9.9
105.07034	16.8
107.04967	17.9
107.08568	26.2
109.02872	3.9
109.06503	8.2
109.10135	17.1
111.04424	9.0
111.08102	4.8
117.06988	12.6
119.04954	4.2
119.08551	25.1
121.06470	10.5
121.10121	29.3
123.04408	22.7
123.08020	5.5
125.09618	8.5
129.06992	11.0
131.08565	23.0
133.06439	4.6
133.10091	10.6
135.08022	8.1
135.11697	15.0
137.05946	5.3
137.09590	4.3
138.11719	3.7
139.11174	11.6
143.08551	4.3
145.06474	4.3
145.10114	21.1
147.04498	4.1
147.08022	7.1
147.11655	13.3
148.86670	3.7
149.09598	12.9
157.10112	13.3
159.11627	8.3
163.11147	15.4
167.10625	4.4
171.11661	3.7
173.04466	4.1
173.11723	4.6
177.12659	3.7
183.66675	3.3
189.11208	4.8
191.10709	5.9
193.12219	13.5
205.12219	4.3
207.13806	6.6
209.11679	21.4
223.13297	6.7
227.12749	9.5
229.14368	9.0
229.57564	4.9
231.63910	4.3
235.13187	21.2
241.14346	12.2
249.14694	4.2
259.15363	33.5
265.14249	5.8
267.15802	31.9
273.14529	4.1
283.15567	6.2
289.14261	4.8
301.16531	10.1
309.16837	26.3
383.21982	14.2
401.23145	14.8
419.23581	4.9
433.26157	8.4
447.27063	8.4
457.26105	16.1
475.26794	100.0
476.27646	4.8
489.27753	4.5
493.27930	71.4
494.28091	4.9
507.29199	13.9
525.30609	4.6
601.29700	6.0
619.31262	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	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.4
55.05246	2.9
55.05504	30.3
56.39771	1.6
57.03183	1.8
57.03434	21.2
57.07063	3.0
57.07491	1.6
58.15653	1.5
59.04970	1.9
61.02921	4.6
65.03935	4.1
67.05495	89.0
69.03426	11.8
69.07053	22.8
69.22699	18.5
71.01340	1.7
71.04987	9.6
73.02898	2.3
79.05481	67.0
79.05945	3.7
81.03406	67.8
81.07046	100.0
83.01328	3.4
83.04963	26.1
83.08607	31.4
85.02895	22.5
85.06500	9.7
86.09698	1.7
91.05466	88.6
93.07030	68.6
95.04953	34.5
95.08017	3.1
95.08593	35.0
97.02872	7.9
97.06518	13.5
97.10172	7.9
99.04430	2.7
99.08083	3.0
105.07016	71.0
107.04942	19.3
107.08575	46.8
109.06500	17.9
109.10137	44.8
111.04437	4.7
111.08064	11.3
111.11611	1.8
113.05980	3.4
115.05436	5.2
117.07007	14.9
117.07758	2.6
119.04951	2.2
119.08566	45.1
121.06478	14.8
121.10120	24.0
123.04465	2.1
123.08064	11.4
123.11664	8.7
125.09603	4.2
127.03875	2.2
127.07539	4.0
128.06221	4.0
129.06976	18.8
130.07806	1.8
131.08543	31.6
133.06502	8.3
133.10112	72.7
134.43843	1.7
135.08046	10.6
135.11678	9.6
137.05939	16.1
137.09605	5.8
142.07794	2.7
143.08545	6.0
145.06471	3.5
145.10103	19.9
147.08057	7.2
147.11656	19.3
149.09622	15.7
149.13174	4.0
151.11163	25.3
153.12788	2.2
155.08519	2.5
157.10112	15.4
159.08035	4.0
159.11687	6.9
161.09581	8.4
161.13174	2.7
163.11108	10.3
165.12704	4.1
169.10162	2.1
169.12198	5.2
171.11659	4.3
173.09563	2.1
173.11714	1.6
173.13268	4.2
175.11159	19.1
177.09070	2.4
177.12733	2.4
182.48518	1.6
183.11736	2.3
184.07329	2.0
185.13266	2.5
187.11079	1.8
189.11159	2.2
191.10724	2.7
193.12207	43.4
195.13779	3.6
199.11154	1.9
205.12242	2.5
209.11743	2.1
211.13255	62.6
213.12776	2.0
215.12794	4.5
220.92186	1.8
223.13228	1.7
227.12683	8.3
227.17921	1.8
245.19005	6.4
251.12738	3.8
253.14310	59.6
263.20071	4.9
267.15881	24.9
269.14548	2.3
269.17386	14.9
271.15247	3.5
273.18466	42.5
275.20102	5.9
283.15384	28.9
285.16919	51.8
289.17880	3.1
291.19485	40.0
307.19330	2.0
309.20535	3.8
329.21173	1.8
347.22125	16.9
349.23624	7.1
365.23215	37.1
445.25549	3.4
461.25717	2.5
463.26846	26.6
477.28491	38.7
477.35281	2.4
481.27887	18.0
483.31387	2.1
539.33307	9.2
557.34668	43.0
575.35736	62.6
576.35309	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	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.4
55.05506	29.7
57.03429	12.7
59.04982	1.6
61.02915	3.4
65.03922	2.8
67.05499	36.7
69.03418	10.1
69.07064	27.8
69.07387	0.5
69.07446	0.8
69.64400	6.2
71.01392	1.1
71.04989	4.1
73.02888	1.2
75.91085	0.8
79.05485	38.9
81.03411	42.8
81.07047	38.4
82.45156	0.8
83.01334	1.3
83.04971	12.6
83.08132	1.7
83.08611	23.0
85.02898	17.1
85.06526	2.0
91.03946	0.9
91.05473	40.7
93.07033	29.2
93.07623	1.4
95.04959	25.5
95.08596	18.4
97.02886	13.3
97.06519	6.9
97.10168	14.8
99.04436	1.2
99.08054	2.1
103.05475	1.2
105.07020	29.0
107.04946	13.4
107.08579	14.5
109.02860	1.7
109.06499	5.9
109.10146	8.0
110.58745	0.8
111.04436	2.6
111.08061	8.0
113.05996	2.1
115.05487	1.5
117.06993	9.2
119.04913	1.8
119.08572	23.9
121.06512	3.8
121.10123	10.4
123.08065	6.5
123.11692	2.3
125.09619	11.5
127.03889	1.3
128.06219	0.9
129.06987	10.5
130.07733	1.8
131.08551	15.4
133.06477	4.2
133.10127	13.6
133.96379	0.9
134.07263	1.5
135.08054	4.5
135.11667	6.6
137.05862	0.9
137.09586	4.2
141.06891	0.9
142.07715	1.9
143.08559	4.1
145.06442	1.4
145.10100	10.3
147.08026	8.2
147.10637	1.2
147.11690	12.6
149.09583	6.5
149.13246	3.7
151.11194	1.1
153.09059	1.0
153.12788	1.2
155.08545	1.0
157.10107	11.1
159.11685	3.6
161.09612	2.2
161.13219	1.2
163.11189	8.7
165.09087	1.7
165.12718	2.7
171.10211	0.8
171.11708	1.6
173.13190	2.0
175.11177	12.9
177.12688	1.6
181.12196	1.6
183.11668	1.0
187.11189	1.2
189.11183	4.6
189.12683	1.5
193.12221	30.3
195.13811	2.1
196.29982	0.9
197.13185	0.9
205.12267	2.7
209.11710	1.9
211.13268	46.9
219.13817	1.6
223.13283	17.1
227.12802	7.6
245.19086	2.0
249.14943	4.9
253.14293	1.4
255.15759	1.8
257.19086	1.4
267.15891	27.6
268.16223	1.0
269.17395	4.9
273.18433	15.5
275.20023	3.1
283.15366	15.9
285.16937	46.6
286.17184	1.6
291.19507	100.0
292.19910	2.5
340.31223	1.0
347.22110	3.1
349.23727	3.3
365.23193	46.4
366.23364	1.8
413.21225	1.2
437.24985	2.2
445.25659	1.2
459.27432	1.6
463.26859	3.8
477.28424	16.9
477.34525	0.8
495.29669	1.9
539.33740	1.8
557.26031	1.9
557.34674	37.2
558.34814	3.0
575.35730	59.4
576.35974	3.9
719.72015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.3
55.05504	18.5
57.03430	8.6
59.04969	0.8
61.02914	2.3
65.03933	4.2
67.05493	45.5
67.74558	0.7
69.03428	6.2
69.07057	16.7
70.70306	1.3
70.70687	1.3
71.04976	6.4
73.02891	1.7
77.03882	1.0
79.05480	36.2
81.03407	37.8
81.07044	52.0
83.04971	16.0
83.08604	16.3
85.02895	10.8
85.06533	5.2
87.04467	1.2
91.05467	54.8
92.05775	0.9
93.07034	34.0
95.04953	22.1
95.08595	17.2
97.02902	4.5
97.06522	6.7
97.10128	3.9
99.04436	1.5
99.08087	1.6
103.05449	2.2
105.07018	44.8
107.04939	11.2
107.08576	29.6
109.02833	1.1
109.06499	8.4
109.10143	35.9
111.04440	3.3
111.08073	6.2
113.05992	2.6
115.05434	1.3
117.06998	7.0
119.04897	0.9
119.08567	18.9
121.06487	6.3
121.07181	0.9
121.10114	10.1
123.04430	1.0
123.08031	4.8
123.11691	8.2
125.05946	0.9
125.09613	3.1
127.07533	3.1
128.06204	1.7
129.06975	10.0
131.08556	14.7
133.06473	5.9
133.10109	57.5
134.10432	1.2
135.08047	7.3
135.11652	5.0
137.05968	1.1
137.09602	3.1
139.07465	1.0
141.06949	1.3
142.07764	2.5
143.08528	3.8
145.10088	6.5
147.07986	5.1
147.11653	11.3
149.09589	8.7
149.13264	0.9
151.07623	0.9
151.11160	23.7
153.12735	1.0
157.10109	12.3
159.07999	1.5
159.11662	3.4
161.09602	6.2
161.13322	1.3
163.11166	3.2
165.09039	1.1
165.12758	1.9
169.12221	4.3
171.11656	2.2
173.09511	0.8
173.13232	1.4
174.79822	0.7
175.11159	11.6
177.09044	1.6
177.12741	0.9
179.10652	1.7
181.12184	1.1
183.11636	1.2
187.11263	1.0
189.12680	1.3
193.12215	28.6
195.13672	0.9
199.11150	1.0
211.13261	40.9
213.12794	0.8
213.16353	1.0
215.12740	1.9
223.13213	1.6
227.17897	1.2
245.19032	4.2
251.12759	3.4
253.14317	100.0
254.14742	0.9
255.17424	2.5
263.20062	2.5
267.15881	11.0
271.15439	1.8
273.18442	22.4
275.20056	1.1
276.71011	0.9
283.15442	0.8
285.16928	29.2
287.19910	1.1
291.19519	28.7
305.21072	0.7
309.20688	2.3
347.22128	8.6
365.23163	26.2
389.23257	1.0
445.25677	2.4
463.26822	14.7
465.29758	1.0
477.28598	1.2
481.28027	7.7
483.30804	0.9
539.33405	3.4
543.36646	2.1
557.34674	15.7
575.35754	41.1
576.36041	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	772.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.9
55.05296	0.6
55.05502	7.3
57.03424	1.2
57.07058	1.2
59.04976	0.8
62.06055	0.9
65.03929	1.2
67.05493	22.7
68.05801	1.0
69.03411	1.4
69.07056	8.3
71.04995	0.8
71.08602	0.8
71.53658	0.6
71.54173	1.2
74.32585	0.6
79.05054	0.9
79.05479	12.2
81.03389	2.5
81.07043	38.2
82.07370	0.7
83.04971	3.7
83.08602	4.0
85.06494	0.8
88.40518	0.7
91.05479	6.2
93.04744	0.6
93.07029	11.0
95.04927	1.8
95.08043	1.0
95.08596	15.3
97.02876	1.0
97.06508	1.5
97.10133	1.8
98.98450	0.8
105.07027	6.2
107.08572	7.0
109.02808	0.7
109.06507	9.8
109.10133	7.7
110.15988	0.6
111.04423	15.0
111.08027	1.5
113.05998	0.9
117.06993	1.8
119.08561	6.8
121.10125	7.1
122.10446	1.1
123.08049	2.5
123.11685	3.0
125.00008	0.8
125.05964	4.3
127.03909	0.8
131.08510	3.8
133.10104	5.5
135.08020	2.3
135.11685	6.3
137.05954	100.0
137.13234	2.0
138.06306	1.9
143.08534	1.0
145.10121	3.2
147.08028	2.1
147.11653	8.6
149.09616	3.7
149.13231	1.4
151.07535	2.2
151.11171	1.2
157.10152	3.1
159.11685	3.0
161.09601	7.2
161.13210	3.1
163.11203	3.5
163.14796	1.0
165.09084	3.0
165.12668	1.1
167.10698	1.0
171.07803	0.7
171.11630	1.1
173.04510	1.1
173.13171	0.7
175.11162	5.0
175.14799	1.6
177.12619	1.0
179.10672	2.1
181.12238	0.9
184.07368	3.4
185.13150	0.9
189.12770	1.3
193.12254	1.2
203.17912	7.2
213.16451	3.1
214.25276	0.8
221.19000	2.3
223.14882	0.9
231.17403	7.8
241.15807	1.0
245.22453	0.7
249.18484	6.7
263.23767	1.1
275.20145	1.0
276.20099	1.5
277.17953	45.9
278.18433	1.2
295.18979	13.1
296.19348	0.6
306.27911	2.2
309.70605	0.6
320.22183	5.8
321.22760	0.8
335.25623	0.9
336.26376	0.8
337.27310	13.8
337.31140	1.2
338.27545	1.0
351.21573	10.2
443.02258	0.7
460.28137	1.2
478.29352	1.0
489.35443	0.9
563.96198	0.7
610.45355	1.1
613.44525	86.6
614.44952	8.5
631.45630	13.8
632.46466	1.0
697.50946	1.0
736.45929	1.0
754.46191	1.9
772.49164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.0
55.05512	28.3
56.76831	4.4
57.03425	21.4
59.04985	6.0
61.02903	8.1
62.35816	4.0
67.05497	80.4
68.05815	5.6
69.03417	9.0
69.07053	40.1
71.01346	6.0
71.04981	10.8
71.54326	4.8
73.02927	6.4
73.71541	4.0
79.05051	5.7
79.05484	73.1
79.37367	5.2
80.05819	5.1
81.03419	38.9
81.07048	93.6
83.04977	20.5
83.08601	19.8
85.02880	12.9
86.09702	9.7
91.05473	49.1
93.07034	95.7
95.04958	20.0
95.08591	69.3
97.02872	20.6
97.06512	19.0
97.10183	6.8
105.06998	37.3
107.04945	18.7
107.08576	46.3
109.06496	13.8
109.10155	25.8
111.04439	28.1
117.07004	19.9
119.08588	30.3
121.10117	40.6
123.08075	8.9
123.11651	7.7
125.05981	8.5
129.07018	6.0
131.08542	26.0
133.10101	18.9
135.11699	28.0
143.08466	6.5
145.10098	45.5
146.10468	5.0
147.08022	5.7
147.11696	13.7
149.13303	7.7
153.12761	8.6
155.08516	12.5
157.10046	9.5
159.11703	9.5
163.11169	45.4
169.10168	4.9
173.09608	10.8
175.14777	5.2
181.12216	7.3
183.11745	6.6
184.07333	31.6
189.11160	5.4
191.10744	13.9
195.11456	5.5
197.13177	5.3
199.14853	6.9
209.11687	19.0
223.13142	22.0
227.12685	25.4
241.14331	54.1
243.21132	5.4
255.29756	4.8
261.22025	10.5
265.14337	7.2
267.15857	6.9
283.15369	33.4
312.98520	5.2
315.17935	79.7
315.21347	7.0
335.25745	100.0
392.03607	4.9
467.88721	4.9
525.35388	15.6
543.36749	91.4
544.37036	6.5
575.39294	65.8
609.43115	5.6
610.45294	51.8
627.40985	4.9
628.36951	6.8
709.89069	5.0
772.50537	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	773.2121
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01872	0.2
57.03431	1.3
61.02921	1.6
62.68406	0.1
65.03930	0.2
67.01875	0.1
68.99789	0.3
69.03420	0.4
71.01338	0.1
71.04983	8.3
71.21568	0.1
71.54176	0.1
73.02898	0.5
75.04473	0.4
81.03414	0.3
83.04965	0.6
85.02893	11.4
87.04461	0.3
91.03938	1.0
93.03400	0.2
95.04961	0.1
97.02882	1.1
99.04430	0.3
109.02889	0.4
111.00797	0.5
111.04429	0.4
121.02835	0.8
123.04434	0.2
127.03896	0.7
129.05466	2.4
129.06371	0.2
135.04387	0.1
137.02312	2.6
139.03842	0.2
145.04941	0.4
147.04381	0.2
147.06490	0.7
149.02382	0.4
151.03893	0.1
153.01801	2.6
153.02968	0.2
159.04301	0.1
161.06003	0.2
163.03864	0.7
163.05965	0.2
165.01811	1.6
166.02605	0.2
173.06041	0.2
177.05495	0.2
179.03416	0.3
183.02872	0.6
183.04340	0.2
187.03996	0.2
191.03435	0.2
195.02930	0.3
201.05467	1.2
205.04945	0.2
213.05490	0.2
215.03365	0.1
219.03027	0.1
219.06529	0.2
229.04944	3.0
241.04948	0.1
247.05997	0.7
257.04422	2.5
274.04742	0.8
275.05490	0.2
285.03918	1.1
286.04617	0.1
287.05490	1.7
289.06958	0.1
303.04944	100.0
304.05276	2.8
315.05057	0.1
327.04700	0.1
345.05960	0.3
369.05975	0.2
436.93246	0.1
447.08960	0.2
449.10919	0.4
465.10242	19.7
466.10394	0.6
627.15509	0.2
734.21118	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	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.8
55.05503	24.8
56.64127	2.5
57.03422	11.6
57.07057	4.3
61.02914	12.2
65.03947	3.3
67.05494	63.9
69.03407	8.6
69.04252	2.1
69.07062	25.2
69.48493	5.8
69.48907	18.1
69.99446	2.4
71.04962	4.5
73.02898	7.5
79.05480	59.4
81.03426	5.1
81.07042	68.0
83.04984	4.1
83.08601	14.0
85.02895	11.7
85.06542	4.9
89.48629	2.4
91.03928	6.6
91.05466	49.3
91.60302	2.4
93.07027	61.7
93.26938	2.7
95.04954	8.2
95.08591	54.9
97.02871	11.2
97.06522	4.4
99.04452	2.5
99.08045	3.6
101.02351	2.8
105.06378	4.0
105.07017	51.7
107.08580	32.6
109.06482	5.5
109.10128	22.5
111.08031	3.0
117.06977	21.5
119.08555	41.9
121.10112	29.5
123.11681	9.3
127.03931	3.3
129.06982	13.7
131.08534	32.5
133.10104	35.3
135.11679	18.6
137.09592	3.3
141.06972	3.9
143.08536	12.7
145.10107	27.9
147.11646	38.7
148.11954	2.5
149.13223	15.1
155.08543	7.3
157.10109	16.2
159.11639	22.4
161.13223	19.6
163.14799	4.7
167.08534	4.0
169.10092	9.6
171.11673	13.2
173.13214	16.1
175.14844	17.3
177.16219	2.8
183.11642	7.8
184.07390	3.2
185.13168	11.9
187.14780	11.2
197.13263	7.0
199.14780	5.7
205.16113	2.7
211.14838	3.3
213.16370	4.7
219.94843	2.9
227.17964	3.1
229.19318	3.2
231.20964	4.9
239.17841	5.8
241.19525	23.4
243.21078	6.0
257.18967	10.5
259.20508	46.8
261.22122	6.2
273.21945	3.6
301.21515	3.6
311.23914	2.9
313.21387	3.5
331.22696	2.6
333.24155	29.6
335.25760	69.5
336.26315	3.8
337.27536	3.6
339.22870	3.0
367.22592	6.6
403.24600	2.6
519.41833	6.8
541.38623	2.9
593.45734	13.1
611.46606	100.0
612.46704	10.0
623.46002	2.7
698.02643	2.6
701.47278	6.8
719.48724	3.8
755.49402	2.8
773.51465	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	773.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.9
55.05505	21.2
57.03435	13.5
57.07070	4.3
59.27036	2.4
61.02913	14.1
65.03908	4.7
67.05157	5.0
67.05495	67.9
69.03417	11.1
69.07054	17.8
70.99340	5.9
71.05005	5.3
73.02912	8.5
79.05485	59.6
81.03419	8.4
81.07047	73.1
83.04996	5.1
83.08595	14.0
84.30959	2.5
85.02901	16.8
85.06541	5.6
91.03948	10.2
91.05471	53.0
93.06442	5.5
93.07034	55.1
95.04948	9.4
95.08589	53.3
97.02882	11.0
97.06522	8.6
97.10152	6.0
103.05441	2.8
105.07012	52.1
105.44749	3.4
107.08582	33.9
109.02880	3.9
109.10156	21.6
117.07001	20.6
119.08566	46.0
121.10123	25.2
123.11726	6.1
127.03806	3.5
128.06215	5.2
129.06972	13.9
131.08556	27.5
133.10112	30.8
135.11665	19.3
139.11153	2.7
143.08524	14.3
145.10104	31.8
147.11668	27.7
149.09560	3.0
149.13220	9.3
155.08559	6.9
157.10094	19.0
159.11662	25.6
161.13246	25.3
169.10094	13.3
171.11667	17.2
173.13200	12.7
175.14793	10.5
181.10104	5.7
183.11658	11.4
184.07338	5.0
185.13243	15.7
187.14801	9.1
195.11559	4.6
197.13251	7.7
197.54680	2.9
199.14819	8.8
211.14796	5.3
213.16403	6.1
221.13264	2.6
225.16229	2.8
227.09175	2.7
241.19534	17.7
257.18945	6.7
259.20578	31.1
261.22092	3.6
301.21600	3.1
313.21552	4.4
325.25278	4.5
333.24161	21.3
335.25809	41.4
336.26111	4.5
360.05786	3.7
367.22681	5.5
403.74307	2.7
503.37521	3.0
519.41968	4.3
537.42725	3.2
593.45599	5.6
609.44965	5.0
611.46637	100.0
612.46735	7.4
701.47638	5.2
719.48840	4.8
737.49249	4.4
773.51636	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	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05495	28.3
57.03423	22.4
57.07051	7.6
60.86389	4.4
61.02914	12.6
65.39538	4.6
67.05495	95.3
69.03411	17.1
69.07047	21.2
73.02901	7.7
79.05486	86.7
81.03400	11.6
81.07043	88.8
83.04974	6.3
83.08614	6.9
85.02896	20.9
85.06490	6.2
91.05468	70.8
93.07032	92.9
95.04952	8.0
95.08588	66.0
97.02876	11.7
97.06516	11.2
105.07020	73.7
107.08595	44.8
109.06550	6.9
109.10130	26.7
111.07989	5.5
116.75716	5.4
117.06970	25.0
119.08578	66.7
121.10147	37.5
129.06975	17.3
131.08562	45.2
133.10114	38.1
135.11665	24.5
141.06990	6.7
143.08504	24.6
145.10097	30.8
147.11661	37.5
149.13248	14.4
155.08568	9.9
156.09279	6.1
157.10097	18.8
159.11676	30.1
161.13258	20.9
164.84602	4.4
169.10068	11.8
171.11642	16.7
173.13300	20.0
175.14839	9.6
175.82605	5.1
183.11678	11.9
184.07217	8.6
185.13268	14.8
187.14787	10.5
195.11682	7.9
197.13306	8.5
199.14702	6.5
201.16385	10.1
211.14705	4.8
213.16406	8.3
228.16266	4.9
239.17778	5.8
241.19452	18.9
243.20883	6.1
257.18985	12.4
259.20563	40.7
263.59128	5.3
293.80252	5.9
333.24118	25.8
335.25748	56.3
427.05371	5.1
456.36719	5.2
593.45197	7.9
604.97321	6.1
611.37695	8.4
611.46704	100.0
773.52252	6.1
786.13190	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.3
55.05251	3.9
55.05502	43.3
57.03433	13.1
61.02908	3.1
65.03930	2.9
67.05154	3.9
67.05496	55.2
69.03415	8.6
69.07056	28.3
69.60719	4.8
69.61126	9.9
71.04992	8.0
79.05482	73.2
81.03407	65.9
81.07042	60.6
83.04972	20.3
83.08601	42.0
85.02892	23.8
85.06540	3.4
86.09698	3.9
91.05466	63.8
93.07027	41.1
93.07599	2.4
94.99478	1.9
95.04948	29.5
95.08587	27.9
97.02876	7.7
97.05986	2.6
97.06506	14.1
97.10159	44.8
105.07014	54.6
107.04909	16.8
107.08582	60.0
109.02849	3.3
109.06523	11.2
109.10127	15.3
111.04446	2.5
111.08070	13.3
113.06015	2.6
117.07017	13.8
119.08565	41.7
121.06499	4.6
121.10130	19.8
123.08027	6.1
123.11629	4.0
124.99994	2.9
125.09615	41.0
129.06982	17.2
131.08539	25.6
133.06461	5.3
133.10104	28.7
135.08026	9.9
135.11694	4.2
137.09621	2.8
142.07768	3.4
143.08578	3.9
145.10103	22.7
147.08046	6.6
147.11670	28.4
149.09595	25.0
151.11134	3.7
153.09161	3.7
157.10098	22.9
159.11726	10.4
161.13278	5.3
163.11205	4.0
165.12682	2.9
168.27463	2.1
169.10162	2.3
171.10208	3.7
171.11626	4.7
173.13228	4.5
175.11176	16.4
179.14255	3.0
183.11626	2.8
184.07301	18.6
185.13097	2.6
186.37312	2.2
187.11192	2.5
189.11192	23.9
193.12218	50.3
201.12625	2.5
211.13264	74.6
211.15216	4.3
227.10478	4.4
227.12747	89.7
228.13139	2.9
229.19504	2.9
239.17926	4.3
245.13805	6.7
257.18964	12.1
267.15817	25.8
269.17303	3.6
275.20013	60.2
276.20480	2.3
285.16949	65.0
331.22626	3.2
349.23679	68.2
389.18079	3.1
437.25275	7.9
449.30508	3.7
455.26392	15.0
461.29050	4.8
463.30478	4.1
479.30188	5.6
518.50104	2.5
541.35187	41.0
559.36218	100.0
560.36224	5.1
577.36823	6.5
757.61707	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.0
55.05250	1.8
55.05501	25.9
57.03177	1.6
57.03431	19.6
57.07064	3.4
61.02907	4.7
65.03917	4.1
67.05495	73.8
69.03418	9.6
69.07059	30.8
70.18257	3.8
70.18651	2.7
71.04984	8.3
79.05481	67.6
81.03405	70.8
81.07046	89.7
83.04972	24.6
83.08606	35.7
85.02893	28.9
85.06534	5.9
87.04424	1.4
91.04871	2.1
91.05463	67.1
93.07030	69.9
95.04955	33.4
95.08027	2.6
95.08591	34.6
97.02882	7.1
97.06509	16.4
97.10153	7.3
98.55975	1.8
99.08051	3.8
105.07014	51.0
107.04927	12.3
107.08575	34.1
109.02872	1.7
109.06522	10.3
109.10132	14.6
111.04446	4.4
111.08071	17.0
111.79943	1.5
113.05977	4.6
113.09636	1.5
115.05441	3.2
117.06992	15.5
119.04910	1.4
119.08556	41.6
121.06496	6.3
121.10127	24.3
123.08021	7.5
123.11694	7.9
125.09609	5.6
127.03912	3.1
127.07570	2.1
129.07002	13.4
131.08554	29.4
133.06483	5.6
133.09201	2.9
133.10117	33.5
135.08025	4.2
135.11670	16.1
137.09543	3.0
141.06978	3.9
142.07776	4.1
143.08528	4.9
143.90860	1.5
145.10094	14.3
147.08046	7.2
147.11662	19.3
149.09593	17.6
149.13251	10.6
151.11252	1.8
155.08479	2.0
157.10100	18.5
159.11671	13.5
161.09512	1.9
161.13223	3.6
163.11203	10.1
165.12758	4.2
169.10123	3.6
171.11641	3.1
173.04411	1.8
173.13245	5.2
175.11140	19.1
177.12726	4.9
179.14235	1.8
185.13297	2.4
187.11185	1.9
189.11166	2.0
191.14180	1.8
193.12199	51.8
195.13779	7.2
201.12732	2.0
211.13257	69.5
217.15796	2.3
227.12711	3.7
229.19519	2.1
233.15434	1.6
237.61870	1.8
239.17850	3.0
249.14937	1.6
251.16283	2.2
253.14328	1.9
255.15836	17.6
257.18921	7.4
260.84058	1.5
267.15875	37.3
268.16260	1.6
269.17474	46.5
275.20044	27.6
285.16925	63.3
293.20865	2.9
331.22592	2.4
349.23672	18.1
367.24512	3.6
439.26627	2.3
443.27859	3.6
447.27219	7.8
461.22394	2.2
461.28934	36.9
465.28406	20.5
479.29959	100.0
480.30103	3.8
541.35162	10.5
559.36285	24.2
577.37079	4.1
605.32965	1.8
623.33612	2.4
794.05988	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.7
55.05503	36.1
57.03177	1.9
57.03431	23.0
57.07055	2.6
58.48227	1.2
59.04988	2.2
61.02922	7.0
62.18258	1.1
65.03921	4.4
66.13268	1.2
67.05497	82.5
69.03104	1.5
69.03417	13.2
69.07058	35.4
71.04985	7.8
73.02905	2.1
77.03888	1.4
79.05482	77.7
81.03407	75.5
81.07044	100.0
83.04964	28.6
83.08134	1.9
83.08605	35.4
84.08904	1.4
85.02893	34.7
85.06529	5.4
87.04443	1.6
91.05467	77.4
93.07031	70.9
95.04955	36.4
95.08592	35.6
97.02879	8.4
97.06512	21.4
97.10145	8.5
99.04447	2.4
99.08078	4.8
101.05995	1.3
103.05454	1.9
105.03375	1.3
105.04533	1.9
105.07017	58.0
107.04939	18.8
107.08577	33.4
109.02842	2.9
109.06523	10.4
109.10132	9.5
111.04445	3.7
111.08070	16.8
113.05975	2.8
113.09650	2.0
115.05434	3.2
117.06998	17.0
119.08563	41.7
121.06513	8.0
121.10123	25.7
123.04427	1.8
123.08063	7.9
123.11715	5.7
125.09593	4.6
127.03892	3.0
128.06242	2.4
129.05486	2.4
129.06981	18.4
131.08562	29.1
133.06474	4.7
133.10109	33.2
135.08044	4.8
135.11691	16.4
137.09567	4.1
139.07518	1.6
141.06964	2.8
142.07796	4.1
143.08516	4.9
145.10100	15.7
147.08008	6.0
147.11665	25.1
149.09592	22.6
149.13214	11.6
151.11147	2.9
155.08536	1.7
157.10095	18.4
158.28133	1.3
159.07953	1.4
159.11662	16.2
161.13228	5.6
163.11188	10.8
165.12762	4.6
169.10062	2.9
171.11664	4.0
173.04446	2.8
173.09637	2.4
173.13216	4.9
175.11153	15.1
177.12714	5.6
179.14218	2.4
183.11646	3.0
185.13255	2.6
189.11217	2.5
189.12784	2.1
193.12224	50.3
195.12183	1.6
195.13818	5.5
197.13266	2.7
207.13890	1.2
211.13252	66.8
219.13794	1.2
227.12665	6.2
229.19466	2.4
239.17873	4.0
247.20580	1.8
249.14804	2.1
251.16434	2.1
255.15894	15.5
257.18936	11.9
265.14273	1.5
267.15887	31.6
269.17441	37.9
273.18314	1.8
275.20020	32.9
278.39066	1.3
285.16931	62.5
286.17313	2.6
293.17761	1.3
293.21014	4.3
313.16190	1.6
331.22516	1.6
349.23685	32.1
355.22552	1.1
367.24637	3.7
369.24484	1.4
385.14767	1.2
387.25070	1.2
395.20197	1.6
405.04745	1.3
413.21469	3.4
443.27710	3.7
447.27347	9.4
455.25903	1.5
461.28952	33.5
463.30591	1.4
465.28494	23.0
466.28922	2.0
479.29974	78.2
480.29889	2.9
519.33539	1.6
523.33936	2.5
541.35089	11.1
554.79468	1.3
559.36176	30.4
560.36523	1.7
577.37433	8.0
605.32690	1.4
623.33875	3.7
646.77173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.8
55.05258	1.4
55.05504	24.2
57.03428	23.2
57.07059	3.2
61.02901	1.2
64.62981	1.1
65.03920	3.4
67.05495	73.7
69.03416	4.4
69.07056	17.6
70.81926	2.3
71.04973	4.8
74.14883	1.0
79.05482	53.5
81.03407	100.0
81.07045	70.1
82.03744	1.8
83.04978	8.5
83.08610	24.8
85.02887	1.6
85.06548	2.6
91.03933	1.4
91.05469	41.1
93.07032	57.4
95.04958	34.3
95.08593	48.5
95.09075	0.8
95.09217	1.8
97.02865	2.7
97.06503	5.8
97.10163	9.7
103.51806	1.3
105.07013	29.1
107.04940	7.5
107.08582	27.9
109.06499	5.8
109.10137	19.3
111.04359	1.5
111.08074	6.7
115.05431	2.6
117.07023	9.5
119.08568	26.0
121.06508	3.3
121.09277	2.1
121.10119	26.3
123.04443	1.7
123.08069	2.9
123.11687	8.1
125.09595	4.5
128.24594	1.2
129.06985	12.2
131.08548	21.3
133.06454	4.2
133.10103	18.0
135.08046	2.3
135.11679	14.5
137.09541	2.2
137.13153	1.3
139.11174	1.3
142.07729	2.1
143.08577	2.8
145.10095	12.7
145.77698	1.2
147.08057	4.0
147.11673	15.9
149.09593	5.9
149.13239	6.6
151.11169	2.0
157.10104	11.1
159.11702	6.6
161.09521	1.4
161.13226	5.1
163.11130	2.5
163.14812	3.3
165.12723	1.9
169.10176	1.3
171.11632	3.0
173.09557	1.4
173.13280	6.6
175.11148	8.9
175.14816	2.9
177.12514	1.3
177.16371	1.3
183.11597	1.3
185.13156	1.9
187.14824	3.7
189.11240	2.7
193.12213	22.9
193.13766	0.9
227.12779	6.8
235.13319	1.3
243.21077	5.6
249.14789	2.4
261.22119	17.6
267.15881	88.8
268.16187	1.9
301.14508	1.3
301.25204	5.1
309.16916	3.0
317.24835	4.6
331.35898	1.2
333.24146	1.4
335.25757	84.7
336.26065	2.7
403.24792	2.2
408.48843	1.5
417.31259	1.9
435.27246	2.4
435.32529	4.6
438.10196	1.1
453.33582	7.3
471.34528	3.9
509.36172	2.2
527.37268	56.7
528.37402	3.5
545.30377	1.9
545.38342	35.7
546.38354	1.5
569.38226	4.3
590.04633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05518	3.5
55.93723	0.6
57.03428	2.8
61.02919	3.2
67.05502	8.1
69.03395	3.7
69.07071	2.5
71.01357	1.1
71.05012	0.9
71.54240	0.9
73.02909	3.8
79.05486	7.5
81.03418	3.5
81.07052	9.6
83.04988	1.5
83.08619	2.3
85.02888	4.8
85.06575	1.0
86.09716	1.0
91.03967	3.1
91.05473	7.5
93.07035	7.5
95.04999	2.8
95.08587	4.3
97.02853	3.5
97.06522	0.9
97.10199	0.9
99.04468	0.9
101.02398	1.4
101.80872	0.7
105.07040	4.4
107.04984	1.3
107.08591	3.6
109.02934	0.7
109.06509	1.7
109.10178	1.7
117.07047	1.8
119.08553	3.8
120.08862	0.8
121.06505	1.6
121.10168	1.9
127.03874	1.1
129.06993	0.9
131.08612	2.0
133.10138	2.6
135.08064	0.7
135.11684	1.7
143.08600	1.3
145.10161	1.7
147.11736	2.5
159.11771	0.8
171.11693	1.6
184.07372	1.9
187.59760	0.7
189.12703	0.9
207.13857	0.8
221.15398	1.0
238.21594	0.7
243.08339	1.5
247.13083	1.1
269.17490	0.9
303.15732	1.1
333.20447	2.3
336.26556	0.9
381.28595	0.7
439.19214	1.0
465.21017	8.0
466.21393	0.8
551.28168	6.2
560.36163	1.0
775.42310	100.0
776.42316	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	775.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05500	2.3
57.03425	2.3
61.02923	5.2
62.98105	0.5
67.05500	8.7
69.03417	4.0
69.07063	4.0
71.04978	1.6
71.53851	0.8
71.54203	0.6
73.02901	3.1
73.75223	0.5
79.05481	8.5
81.03398	4.9
81.07047	8.4
83.04981	2.0
83.08607	2.1
85.02891	5.1
85.06548	0.8
86.09710	0.7
91.03960	2.1
91.05472	6.2
92.05789	0.6
93.07037	6.7
95.04948	2.2
95.08580	3.9
97.02885	3.5
97.06502	1.4
97.10117	0.7
99.04440	1.5
101.02364	1.7
105.07024	4.6
107.04955	1.3
107.08602	2.9
108.08957	0.5
109.02877	0.6
109.06502	1.1
109.10159	2.4
117.07066	1.6
119.08561	3.7
121.10069	1.2
123.08101	1.4
125.00053	0.9
127.03891	1.4
129.06999	1.1
131.08536	1.3
133.10106	3.6
135.11694	1.7
135.12781	0.5
143.08560	1.0
145.10133	1.8
147.11667	2.5
149.13254	0.6
157.10168	1.0
159.11661	1.2
161.13275	0.6
171.11739	1.7
184.07297	3.1
243.08313	3.3
247.13126	1.6
253.14278	0.6
275.20251	0.6
333.20389	2.1
389.23203	0.6
439.19666	1.2
453.20862	0.8
465.20996	9.2
551.28308	5.6
578.37799	0.7
723.16370	0.6
775.42291	100.0
776.42834	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	776.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.05502	4.7
57.03427	4.5
59.04990	0.9
60.08160	7.8
61.02918	1.6
63.41622	0.8
65.03941	1.4
67.05499	37.7
68.98180	0.7
69.03408	3.5
69.07059	8.2
71.04989	13.3
71.07360	4.0
71.53133	0.7
71.53580	0.9
73.02894	0.9
75.73936	0.7
78.43960	0.7
79.05488	15.4
81.03417	4.9
81.07048	22.5
81.07518	1.6
83.04976	5.3
83.08620	4.9
85.02898	2.4
85.06525	2.0
86.09697	33.6
91.03896	1.1
91.05474	17.4
93.06477	1.0
93.07037	18.3
95.04948	3.9
95.08595	11.0
97.02878	2.1
97.06509	5.1
97.10136	1.3
98.98453	2.6
99.04432	0.9
99.08067	1.6
104.10717	2.7
105.07027	9.1
107.04903	1.5
107.08575	11.3
109.02981	0.9
109.06503	2.2
109.09463	1.4
109.10154	22.5
111.08084	2.8
117.07032	4.2
119.08578	9.7
121.06480	1.3
121.10142	4.6
123.08061	1.7
123.11719	0.9
124.99993	20.4
125.09599	1.4
127.03903	0.8
129.06987	2.1
131.08559	3.5
133.10117	6.1
135.08037	1.2
135.11684	8.3
137.09613	5.2
143.08514	1.2
145.10071	4.6
147.11670	2.0
149.09587	3.6
149.13228	1.3
151.11113	1.3
154.75551	0.7
155.10689	0.9
157.10107	2.0
159.11696	3.8
163.11118	2.7
165.12750	0.9
173.11700	3.4
173.13118	1.1
177.12762	1.2
179.14388	1.0
181.12192	2.1
184.07321	100.0
185.07619	0.9
195.13672	1.0
211.13246	1.8
227.12749	1.4
229.14171	1.3
243.15903	1.3
255.15900	3.0
257.18896	1.8
267.15811	1.2
269.17361	2.9
275.20047	5.2
287.18469	8.0
305.44958	0.8
349.23694	5.4
360.19565	0.9
396.68958	0.9
409.25705	3.3
423.27362	9.6
435.27402	7.8
437.28870	3.5
440.35687	0.8
447.15515	1.2
449.28973	6.6
463.30643	0.9
467.29953	2.1
481.31595	14.3
485.32178	1.4
503.33719	10.2
517.35236	1.3
521.34216	1.0
529.35089	3.8
543.36157	1.8
561.37897	5.7
579.38483	1.3
656.10504	0.9
713.45685	0.8
726.43396	9.6
777.40051	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	776.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.05502	4.7
57.03427	4.5
59.04990	0.9
60.08160	7.8
61.02918	1.6
63.41622	0.8
65.03941	1.4
67.05499	37.7
68.98180	0.7
69.03408	3.5
69.07059	8.2
71.04989	13.3
71.07360	4.0
71.53133	0.7
71.53580	0.9
73.02894	0.9
75.73936	0.7
78.43960	0.7
79.05488	15.4
81.03417	4.9
81.07048	22.5
81.07518	1.6
83.04976	5.3
83.08620	4.9
85.02898	2.4
85.06525	2.0
86.09697	33.6
91.03896	1.1
91.05474	17.4
93.06477	1.0
93.07037	18.3
95.04948	3.9
95.08595	11.0
97.02878	2.1
97.06509	5.1
97.10136	1.3
98.98453	2.6
99.04432	0.9
99.08067	1.6
104.10717	2.7
105.07027	9.1
107.04903	1.5
107.08575	11.3
109.02981	0.9
109.06503	2.2
109.09463	1.4
109.10154	22.5
111.08084	2.8
117.07032	4.2
119.08578	9.7
121.06480	1.3
121.10142	4.6
123.08061	1.7
123.11719	0.9
124.99993	20.4
125.09599	1.4
127.03903	0.8
129.06987	2.1
131.08559	3.5
133.10117	6.1
135.08037	1.2
135.11684	8.3
137.09613	5.2
143.08514	1.2
145.10071	4.6
147.11670	2.0
149.09587	3.6
149.13228	1.3
151.11113	1.3
154.75551	0.7
155.10689	0.9
157.10107	2.0
159.11696	3.8
163.11118	2.7
165.12750	0.9
173.11700	3.4
173.13118	1.1
177.12762	1.2
179.14388	1.0
181.12192	2.1
184.07321	100.0
185.07619	0.9
195.13672	1.0
211.13246	1.8
227.12749	1.4
229.14171	1.3
243.15903	1.3
255.15900	3.0
257.18896	1.8
267.15811	1.2
269.17361	2.9
275.20047	5.2
287.18469	8.0
305.44958	0.8
349.23694	5.4
360.19565	0.9
396.68958	0.9
409.25705	3.3
423.27362	9.6
435.27402	7.8
437.28870	3.5
440.35687	0.8
447.15515	1.2
449.28973	6.6
463.30643	0.9
467.29953	2.1
481.31595	14.3
485.32178	1.4
503.33719	10.2
517.35236	1.3
521.34216	1.0
529.35089	3.8
543.36157	1.8
561.37897	5.7
579.38483	1.3
656.10504	0.9
713.45685	0.8
726.43396	9.6
777.40051	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.6
55.05503	48.9
57.03434	15.9
57.07066	2.3
59.04995	2.9
61.02924	3.9
62.72158	1.3
65.03932	3.4
67.05497	100.0
69.03428	4.1
69.07059	18.5
70.10013	5.0
70.10417	2.2
71.01349	2.5
71.04984	3.8
73.02921	1.4
79.05485	49.9
79.05946	2.6
81.03420	6.4
81.07047	61.9
82.07415	1.4
83.04976	7.8
83.08607	18.9
85.02892	16.7
85.06539	4.2
87.04460	9.1
91.05470	24.9
93.07035	43.1
93.07611	2.8
95.04953	8.7
95.08591	45.1
97.02873	4.8
97.06519	5.4
97.10154	23.5
103.03954	1.3
105.07012	16.0
107.04946	2.8
107.08575	30.2
109.06520	2.2
109.10146	44.3
111.08059	2.8
117.07008	5.7
117.20106	1.2
119.08574	16.2
121.10124	16.6
123.08055	2.6
123.11723	4.6
125.09616	20.8
129.07014	2.1
131.08568	12.7
133.10109	11.5
135.11676	11.0
137.09613	2.1
139.11150	3.1
143.08539	2.9
143.10678	4.1
145.10075	8.7
147.08058	1.2
147.11674	7.1
149.09572	3.4
149.13271	5.1
151.11209	1.5
153.12779	2.1
155.10675	1.7
157.10072	3.0
159.11703	6.7
161.13286	4.1
163.11195	4.4
163.14754	1.4
169.12318	1.5
171.11694	2.8
173.09679	1.6
173.10265	1.4
173.11734	11.7
173.13240	6.5
184.07330	4.6
187.14798	2.0
187.32204	1.4
189.11275	2.8
199.13277	9.0
209.11650	2.9
211.13187	1.5
217.14343	3.1
227.12704	9.8
229.14328	33.3
240.31244	1.6
243.20995	2.5
245.13896	2.5
261.22089	11.7
267.15839	2.1
277.21674	1.7
283.15350	2.0
287.51819	1.5
289.21729	1.5
299.14871	3.8
301.16418	16.6
303.23462	1.6
319.17422	2.9
333.24106	1.7
335.25766	55.4
336.26385	2.0
337.27203	3.8
459.34702	2.9
469.32169	1.3
477.35858	9.1
489.35605	6.5
543.36499	5.0
546.53583	1.6
561.37677	11.4
579.38770	4.5
617.04694	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	776.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05253	1.8
55.05506	26.5
57.03431	17.9
57.07066	4.0
67.05497	55.7
67.18332	1.3
69.03398	2.4
69.07059	25.5
70.75888	3.0
70.76221	2.7
71.04982	3.3
71.08622	2.3
79.05489	25.8
81.03408	80.0
81.06562	2.8
81.07047	56.6
83.04958	4.8
83.08612	26.4
85.06537	1.8
86.09686	4.0
91.05463	22.5
93.07030	23.2
95.04358	1.9
95.04958	26.1
95.08598	43.3
97.02928	2.6
97.06523	5.0
97.10159	10.4
99.08047	2.5
105.07021	17.9
107.04968	5.2
107.08586	11.5
109.06494	3.5
109.10148	19.4
111.08057	4.2
111.11649	2.1
115.05415	1.7
117.07026	3.4
119.08579	16.8
121.06470	3.1
121.10128	14.2
123.04406	2.1
123.08015	2.0
123.11690	7.1
125.00041	2.0
125.09630	2.3
129.07010	6.6
131.08566	8.5
133.06477	2.5
133.10127	13.1
135.11716	6.8
135.99934	1.4
137.09616	3.1
137.13261	2.9
145.10126	2.7
147.08018	3.8
147.11668	10.8
149.09637	4.2
149.13261	2.5
157.10143	9.8
159.11726	1.5
161.13223	2.6
163.11136	1.8
163.14746	2.2
166.11746	1.4
175.11166	6.2
175.14818	2.0
184.07347	10.5
185.13156	2.2
193.12216	24.5
227.12737	4.6
245.22629	3.3
249.14737	3.8
263.23697	7.0
267.15887	94.9
268.16190	3.8
301.14560	1.6
309.17014	2.1
335.05939	1.7
337.27332	100.0
338.27621	5.1
365.89771	1.7
437.34018	1.8
455.34933	5.3
473.36295	2.6
526.40027	1.5
529.38855	90.4
530.39362	6.8
547.39941	55.2
548.39746	3.6
561.40955	2.1
571.39478	3.9
579.42340	1.7
637.41040	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	777.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18135	0.5
55.05495	2.4
58.59973	0.5
59.66934	0.7
65.03935	3.7
67.05502	6.9
69.03407	0.8
69.07063	0.7
71.53902	0.9
72.08149	1.8
77.03925	0.9
79.05492	1.3
80.05000	0.7
81.07048	1.8
83.04964	7.5
87.41559	0.7
91.05475	1.3
93.03392	2.7
93.07042	1.7
95.04952	14.6
95.08595	1.6
105.07081	0.9
107.08601	0.8
111.04435	5.5
119.08579	1.5
121.02878	1.7
121.10130	1.0
134.09625	0.7
139.03888	2.6
181.21613	0.7
184.07285	0.9
216.83701	0.8
276.03354	0.7
388.16702	0.9
389.17422	2.6
390.18430	1.0
391.19125	0.8
402.18619	1.0
403.19226	2.8
404.20038	1.7
405.20654	1.3
415.19293	1.2
416.15988	0.9
417.16373	1.3
417.21524	3.5
419.22372	7.0
420.22678	0.9
430.17648	1.4
431.18011	6.6
432.19412	1.9
433.20227	2.0
444.19565	0.9
445.20065	21.2
446.20883	8.5
447.21799	6.6
448.22290	0.8
459.21771	2.5
473.18851	1.1
473.24176	0.8
474.20441	1.5
475.21228	2.3
491.20453	0.8
491.24994	0.8
505.21585	3.3
518.23047	0.7
531.24359	0.8
532.24438	0.7
533.25415	20.4
534.25726	2.1
560.23932	0.8
561.24866	5.2
577.24115	1.4
592.26563	2.0
593.27649	5.6
615.47192	2.4
617.24042	0.8
630.24921	3.0
631.25427	2.9
643.25006	0.9
675.25122	1.0
717.29059	8.9
718.30206	0.8
777.30975	100.0
778.31525	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05497	2.5
57.03423	2.7
61.02919	5.3
67.05495	5.2
69.03413	4.1
69.07049	1.6
69.41793	5.7
71.04985	1.3
72.00998	0.6
73.02927	3.9
79.05482	5.4
81.03411	5.3
81.07041	5.1
83.04967	1.7
83.08620	1.3
85.02880	6.3
86.09699	2.6
86.10182	0.6
91.03937	2.1
91.05468	5.8
93.07030	4.2
94.58892	0.7
95.04957	3.1
95.08601	4.0
97.02862	4.5
97.10155	0.9
98.21513	1.5
99.04379	1.0
101.02390	2.0
105.07016	4.8
107.04975	1.2
107.08590	2.8
109.02850	0.8
109.06514	1.4
109.10146	2.4
111.08048	0.9
119.08569	2.6
119.87004	0.8
121.06525	0.9
121.10146	2.2
125.00002	1.2
127.03918	0.9
129.06975	0.9
131.08562	2.0
133.06456	0.8
133.10103	2.8
145.10114	1.1
147.11685	1.5
148.56532	0.7
149.09587	0.8
157.10143	0.8
163.11194	0.7
184.07304	5.7
185.07658	1.7
193.12280	2.6
211.13345	1.1
243.08441	3.2
251.12585	1.6
291.19608	1.0
313.17587	0.8
315.10229	0.8
331.18878	2.3
381.12366	0.7
451.19327	1.1
469.20465	7.9
531.25525	1.9
541.22321	1.0
549.26416	5.3
679.32623	3.7
734.57941	0.9
759.39056	9.7
777.40167	100.0
778.40704	5.9
779.21277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05492	2.6
56.75904	0.5
57.03429	2.4
60.08174	0.5
61.02916	4.9
67.05497	5.0
68.29037	0.5
69.03421	3.4
69.07077	2.9
69.08670	0.4
71.01360	0.5
71.04993	1.3
71.07357	0.8
73.02911	3.2
78.30217	0.5
79.05475	4.9
81.03411	4.5
81.07053	4.9
82.09634	0.5
83.04967	1.2
83.08611	1.6
85.02891	5.1
86.09709	2.3
87.04450	0.9
91.03941	3.1
91.05468	4.9
93.07027	4.5
95.04962	1.6
95.08599	2.2
97.02886	5.1
97.06503	0.8
97.10181	1.5
98.21571	1.2
99.04453	0.8
101.02384	1.7
105.07035	2.6
107.04931	1.1
107.08566	2.6
109.02898	0.8
109.06487	0.6
109.10148	2.3
115.03917	0.5
117.07011	1.1
119.08611	2.0
121.10165	1.2
121.38963	0.6
125.00020	1.5
125.09629	1.1
127.03907	1.2
129.07013	1.0
131.08582	1.0
133.10155	1.6
135.11668	0.7
145.10141	1.1
147.11678	0.9
169.10178	0.5
175.11273	0.7
184.07335	8.8
185.04253	0.8
193.12204	1.3
223.13301	1.6
243.08356	3.7
291.19495	1.7
307.15305	0.7
331.18762	0.8
387.21161	0.7
453.20883	1.0
467.18781	1.3
469.20322	6.5
487.17661	0.6
530.35809	0.6
549.26752	4.7
551.28754	1.1
554.74170	0.5
710.44574	0.8
777.40186	100.0
778.40540	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	778.5368
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05030	0.6
58.06627	0.5
60.08155	6.3
70.06588	0.2
70.83651	0.1
71.07365	3.4
79.05489	0.2
83.33980	0.2
86.09696	30.1
87.10046	0.2
98.98450	3.3
104.10731	2.0
121.81464	0.1
124.99989	21.5
143.01015	0.3
166.02643	0.2
183.42958	0.2
184.07317	100.0
185.07693	0.8
372.11688	0.2
518.31812	0.3
778.53589	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	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05507	1.9
57.03437	1.7
61.02922	4.7
67.05496	4.8
69.03429	2.8
69.07060	1.9
69.52522	2.9
71.01361	0.5
71.04993	0.7
73.02911	3.2
79.05489	4.1
81.03410	3.5
81.07055	5.6
83.04971	1.1
83.08600	0.8
85.02898	5.5
86.09684	1.2
87.04460	0.6
91.03960	2.1
91.05467	4.0
93.07042	3.2
95.04964	2.3
95.08591	2.2
97.02884	4.5
97.06509	0.8
97.10161	0.5
99.04455	1.0
101.02367	1.6
105.07024	2.3
107.04957	0.8
107.08578	1.6
107.53864	0.4
109.02885	0.7
109.06512	0.6
109.10156	1.0
117.07032	1.0
119.08544	2.5
121.10141	1.0
123.08070	0.4
124.99998	0.6
127.03923	1.6
129.07019	0.9
131.08597	1.4
133.10109	1.8
135.11702	0.9
137.09601	0.5
145.04901	0.5
145.10164	0.6
147.11676	1.3
149.09557	0.5
149.13193	0.4
157.10135	1.0
159.11719	0.4
184.07370	4.0
193.12270	1.0
203.05492	0.4
243.08383	2.9
251.12544	1.4
269.12405	0.5
303.19382	0.4
333.20264	2.0
389.23218	0.7
439.19342	0.9
453.20792	1.0
469.20468	6.3
470.20810	0.5
551.28247	7.7
551.36218	0.7
552.28461	0.5
681.34424	0.6
722.47565	0.4
779.41772	100.0
780.42096	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	779.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05507	1.7
57.03433	2.1
60.67958	0.3
61.02915	4.2
63.89442	0.3
67.05495	4.0
69.03416	2.9
69.07066	1.6
70.78391	0.8
71.01353	0.8
71.04986	0.9
73.02905	3.2
79.05485	3.5
81.03407	4.3
81.07047	5.1
83.04977	1.3
83.08610	1.0
85.02896	6.2
86.09702	1.2
87.04457	0.4
91.03948	2.1
91.05468	3.6
93.07038	3.1
95.04942	2.5
95.08588	1.8
97.02878	4.1
97.06519	0.8
99.04458	1.1
101.02351	1.7
103.03963	0.4
105.07007	2.2
107.04929	0.6
107.08593	1.7
109.02867	0.6
109.06504	0.4
109.10153	0.9
111.04404	0.3
111.08065	0.4
117.07093	0.5
119.08574	1.4
121.10150	1.0
123.08018	0.4
125.00012	0.6
127.03947	0.9
129.07014	0.7
131.08565	1.3
133.10123	1.9
135.08133	0.3
135.11691	0.7
143.54970	0.3
145.10146	0.3
147.11633	1.4
149.09628	0.6
155.14143	0.3
157.10107	0.8
175.11214	0.6
184.07326	3.2
185.04263	0.7
185.07744	0.4
193.12305	1.0
211.13248	0.5
243.08453	2.2
251.12605	1.1
269.12439	1.0
333.20331	1.0
389.23026	0.5
439.19394	0.8
453.20816	1.6
469.20407	8.9
470.20691	0.4
551.28302	4.4
592.41858	0.3
681.34320	1.1
779.41724	100.0
780.42010	9.8
796.08014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60553	0.3
55.05503	1.3
57.03425	2.6
61.02921	5.8
67.05487	4.5
69.03421	3.7
69.07068	1.0
70.66446	1.0
70.66796	0.4
71.01347	0.4
71.04986	1.0
73.02917	4.0
79.05479	4.5
81.03416	3.1
81.07053	5.0
82.78242	0.4
83.04971	0.7
83.08626	1.1
85.02892	6.8
86.09712	0.8
87.04476	0.7
91.03946	4.1
91.05472	3.8
93.07034	5.0
95.04971	1.6
95.08591	3.8
97.02883	5.2
97.06535	0.8
97.15213	0.4
99.04443	0.6
101.02390	1.5
103.03965	0.5
104.31113	0.5
105.07014	2.1
107.04945	0.6
107.08602	2.0
109.02880	0.9
109.06506	0.4
109.10158	1.6
111.04465	0.4
111.08031	0.4
117.06955	0.4
119.08557	2.0
121.10110	2.7
125.00036	0.6
127.03944	1.5
129.07002	0.6
131.08572	1.4
133.10161	1.1
135.11743	0.4
145.04904	0.5
145.10175	0.4
147.11681	0.8
149.09671	1.0
153.87572	0.4
157.10162	0.7
168.32375	0.4
175.11191	0.8
184.07315	2.9
185.04222	0.8
185.07645	0.4
191.96564	0.3
193.12247	1.0
197.15506	0.4
203.05222	0.5
225.14853	0.5
243.08380	2.9
249.79381	0.4
267.15936	0.5
278.03473	0.4
283.15112	5.3
283.17593	0.4
335.25974	0.7
339.18124	0.5
368.11343	0.4
488.71600	0.4
501.22958	8.6
502.23605	0.5
519.29266	7.8
779.45355	100.0
780.45715	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	780.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
58.06324	0.2
58.06626	0.5
60.08159	5.8
63.20875	0.1
67.05489	0.4
70.62096	0.1
71.06970	0.2
71.07365	3.4
71.27348	0.1
71.27694	0.2
81.07057	0.3
86.09696	29.4
87.10039	0.2
95.08614	0.2
98.98456	3.4
104.10739	1.8
109.10168	0.1
124.99991	20.2
143.01030	0.4
166.02614	0.2
170.01228	0.1
184.07320	100.0
185.07648	1.0
231.78105	0.1
543.66187	0.1
780.43518	0.1
780.55121	1.6
781.53455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05040	0.6
62.23317	0.4
63.80873	0.4
67.05486	2.0
68.05018	0.4
69.03416	0.5
69.07047	1.3
70.36128	1.0
70.36517	1.0
71.08617	1.4
79.05465	1.3
81.03404	1.0
81.07066	2.2
83.04973	0.5
83.08619	0.6
86.09694	100.0
87.10028	1.2
91.05476	1.9
93.07042	1.2
95.04931	1.1
95.08592	1.2
97.06557	0.6
98.09695	1.3
103.05455	1.0
105.07018	3.0
107.08589	1.2
109.10162	0.9
110.24307	0.4
112.11225	7.9
117.07021	0.5
119.08579	1.0
120.08090	42.1
121.08414	0.5
121.10110	0.5
131.08624	0.7
133.10110	1.1
145.10085	0.5
146.09628	1.8
154.15884	17.6
157.10376	0.5
157.13344	10.5
159.11696	0.5
162.79875	0.4
172.57750	0.4
185.12846	14.3
187.11241	0.5
188.14328	6.2
191.11783	0.7
199.18033	17.2
209.16455	0.7
219.11290	0.8
225.19608	6.4
227.17523	13.9
233.16454	15.7
238.07292	0.4
243.15036	0.5
253.14429	1.6
253.19073	7.3
253.21410	0.7
255.17201	0.6
259.18005	1.9
261.15952	14.1
267.24252	6.6
275.19901	0.6
280.44363	0.5
287.17587	2.5
295.23724	4.2
298.21182	7.4
301.22733	5.8
329.22256	4.2
332.19632	6.7
340.26010	3.3
341.27124	0.5
366.23373	0.4
366.27313	2.5
374.24377	4.6
376.25818	0.6
383.30267	1.7
400.25882	2.6
408.32269	0.7
411.29691	4.5
417.28491	2.0
421.28201	0.6
442.30737	2.0
445.28027	4.6
453.34384	1.4
459.33261	1.9
479.35745	3.0
485.34567	0.7
487.32980	2.2
496.38840	1.0
513.34210	5.0
524.38080	4.9
527.38904	0.6
530.37091	2.7
555.39355	2.3
558.36481	10.5
559.36774	0.6
572.41473	0.7
586.35980	0.6
592.44080	1.5
600.41071	1.7
609.47119	0.5
626.42633	6.3
627.43384	0.6
637.46100	2.0
643.45331	6.1
651.93225	0.5
653.43311	0.6
668.47699	0.6
671.44769	15.8
672.45331	1.2
685.49902	0.6
713.49622	0.5
739.51080	3.0
741.10815	0.5
756.53687	6.1
757.53998	0.7
766.51898	1.8
784.53558	6.2
785.52112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05505	12.0
57.03417	5.3
61.02921	27.5
61.79416	1.1
63.78456	1.3
65.03910	1.7
67.05161	1.8
67.05500	28.4
69.03426	9.4
69.07055	8.9
69.34585	10.2
69.35013	3.5
71.04981	4.7
73.02904	7.7
79.05484	24.3
81.03401	10.2
81.07050	28.5
83.04971	4.2
83.08620	8.4
85.02890	27.1
85.06513	2.8
87.61626	1.3
88.28576	1.3
91.03946	15.9
91.05469	33.0
93.07037	21.0
95.04952	5.8
95.08604	15.9
97.02883	16.2
97.06537	3.3
97.10159	4.1
98.20773	3.1
99.04456	3.3
103.05451	2.2
105.07025	23.4
105.55853	1.4
106.07346	1.3
107.04946	5.9
107.08591	12.0
107.74750	1.3
109.02852	3.7
109.06529	4.3
109.10142	7.8
111.04459	2.1
111.08063	2.9
115.03923	1.5
115.05427	2.4
117.07017	19.3
119.04896	1.6
119.08575	13.2
121.06525	3.4
121.10106	7.2
123.07999	2.8
125.09628	1.6
127.03937	6.8
128.06197	5.3
129.06987	26.3
131.04892	2.1
131.07581	1.6
131.08553	28.6
133.06447	3.9
133.10092	10.4
135.08096	3.3
135.11684	4.1
137.09625	2.5
139.11156	1.4
141.06976	11.2
142.07759	2.1
143.08536	20.9
145.04942	5.7
145.06448	6.9
145.10094	12.2
147.08073	3.6
147.11679	4.1
149.09592	4.1
149.13237	2.8
151.11084	1.5
153.06987	1.8
155.08519	15.9
157.06479	1.7
157.10109	14.3
159.08055	5.0
159.11673	11.4
161.13228	1.6
163.05981	2.0
163.11131	3.3
164.16772	1.3
165.07004	2.2
166.07770	2.0
167.08543	9.5
169.10074	8.6
171.08044	3.4
171.11719	8.5
173.09599	3.1
173.13242	2.4
175.11159	3.9
177.12810	1.6
179.08623	2.4
181.10112	7.7
183.11711	8.5
185.09599	2.3
185.13248	7.6
187.11203	4.0
187.14824	2.4
189.12782	1.8
193.10101	4.4
193.12268	3.0
195.11711	8.9
197.09587	2.8
197.13271	3.4
199.11279	1.9
199.14966	2.4
203.14311	2.1
207.11652	2.4
209.13216	2.8
211.11182	2.5
211.14821	3.6
213.12820	2.8
213.16499	1.8
215.14307	3.7
219.11592	2.2
221.13213	6.2
223.14847	6.6
225.12801	3.0
225.16458	1.7
233.13263	2.7
235.11226	1.5
235.14893	2.1
239.14388	2.4
241.15823	2.7
253.15804	3.0
257.15210	2.5
259.17026	2.3
271.16818	3.8
323.23508	3.1
333.22086	9.8
341.24686	5.1
351.19763	1.1
351.23160	31.2
369.24185	20.2
387.25314	12.7
425.26654	7.3
443.27890	100.0
444.28046	4.6
461.28922	60.4
462.29025	3.1
497.29361	1.5
544.40625	1.7
551.29315	1.6
569.30908	1.6
587.31897	2.4
605.32800	2.9
623.33539	2.7
653.70380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.3
56.05025	0.9
61.02926	3.8
68.99778	1.5
69.03394	1.0
70.12300	4.1
73.02911	1.3
74.00666	1.5
76.02201	1.2
76.03975	1.3
80.05000	1.2
81.03379	1.2
81.45595	0.7
82.06551	3.3
83.06094	14.9
84.04494	13.4
85.02894	4.0
85.04022	8.7
86.00674	0.9
87.28284	0.7
91.03973	0.8
91.05438	0.7
92.01699	4.6
96.83608	0.9
97.02880	3.1
99.05567	2.0
100.03963	1.3
107.06052	2.5
108.04465	1.6
109.02872	1.0
109.07613	9.7
110.06010	3.4
111.00797	1.9
112.03943	7.2
113.03477	4.0
123.00771	2.6
123.04428	0.9
126.05482	0.9
127.03908	1.4
127.04964	1.4
129.06587	13.6
130.04019	1.6
130.04988	27.8
131.04492	7.6
135.04471	1.0
135.05507	2.1
136.03940	2.6
136.06169	16.2
140.01640	2.0
141.04791	1.6
145.06041	1.6
147.04395	1.5
151.03882	0.9
153.01811	9.4
153.06558	9.8
155.08142	6.9
160.00568	1.1
163.03899	2.0
163.91054	0.8
165.01839	1.3
168.05240	1.4
168.99564	2.4
176.07010	0.8
177.03267	21.5
177.05548	0.8
180.99596	1.3
181.06056	3.7
185.03708	2.4
186.06310	1.5
187.05310	3.0
192.04161	1.3
192.99469	1.2
195.01059	3.3
195.02681	1.1
196.99031	3.5
199.07101	11.7
207.01120	1.3
208.99008	4.9
211.07106	1.8
219.01118	2.5
220.98924	1.1
223.00533	6.6
231.04446	4.6
236.98486	10.1
237.02094	1.9
240.97876	2.6
243.04321	2.1
243.08717	1.6
247.00522	2.9
251.00050	1.8
254.99565	8.2
256.09341	1.2
257.07596	2.9
259.02420	2.3
260.03033	3.9
261.03687	1.2
265.01910	0.9
275.00079	4.2
277.03378	2.3
277.85355	0.8
278.99451	4.1
286.99957	1.7
288.02768	1.5
289.03427	1.5
290.04288	1.1
293.01108	13.9
302.99545	2.4
304.00305	1.9
305.01105	1.0
316.02109	2.2
317.06406	1.4
318.03586	2.6
319.04501	23.4
321.00589	100.0
322.00906	1.7
329.02951	8.4
330.03400	1.1
330.99051	2.5
333.00613	4.3
343.06180	0.9
345.00653	0.9
347.02069	4.2
348.06873	6.2
349.00073	55.7
350.00348	1.5
351.01605	5.8
357.00247	1.2
375.01526	8.2
392.04254	4.7
439.09811	3.5
458.05170	2.3
478.04337	8.3
486.04529	1.0
495.06982	55.9
496.07477	1.3
549.08044	37.3
550.08350	1.2
561.08032	4.7
606.09619	1.5
624.11212	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	786.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.5
58.06593	0.5
59.07390	0.3
60.07870	0.4
60.08156	6.3
66.74029	0.3
67.47787	0.3
68.13699	0.3
71.07362	4.2
77.37333	0.3
79.05499	0.4
80.16170	0.3
81.07036	0.3
86.09695	32.3
94.61700	0.3
96.44973	0.3
98.98450	3.6
104.10741	3.4
109.10080	0.4
124.99991	22.2
131.27623	0.3
135.57527	0.3
137.05972	0.4
143.01019	0.4
160.66846	0.3
184.07318	100.0
185.07657	1.2
256.68182	0.3
283.09631	0.3
289.71262	0.4
306.27887	0.9
351.21707	0.3
353.17926	0.3
451.22272	0.3
510.03738	0.4
601.75464	0.3
605.53802	0.4
768.52136	0.4
786.52649	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	787.228
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05484	0.2
57.03430	1.7
61.02919	1.5
68.99769	0.2
69.03383	0.7
71.01337	0.3
71.04985	9.0
71.17907	0.4
73.02872	0.7
75.04433	0.4
81.03342	0.2
83.04938	0.6
85.02896	12.5
87.04433	0.3
91.03963	1.0
92.02575	0.4
93.03376	0.6
97.02879	1.1
99.04412	0.2
109.02834	0.2
111.00789	0.2
111.04409	0.4
121.02861	0.7
126.03127	0.2
127.03880	0.4
129.05460	2.5
137.02293	0.3
139.03888	1.0
142.66490	0.2
145.04929	0.4
147.06447	0.6
151.03891	1.1
153.01802	4.8
163.03876	0.3
165.01805	0.7
177.05455	0.4
183.02893	0.3
199.42154	0.1
201.05463	0.4
203.03406	0.2
217.05006	0.4
218.05714	0.4
219.03053	0.2
228.04100	0.7
229.04912	2.1
231.02928	0.2
243.06476	0.2
245.04395	0.5
246.05156	1.2
256.03577	0.2
257.02026	0.3
257.04443	2.6
260.03143	0.4
261.07443	0.4
271.05960	0.2
273.03888	1.3
274.04697	4.5
284.03183	0.5
285.03915	4.2
286.04413	0.4
288.06314	0.2
293.91061	0.1
302.04187	13.9
303.04504	0.4
317.06522	100.0
318.06848	2.7
359.07587	0.5
375.82043	0.2
461.10587	0.2
479.11792	22.1
480.12250	0.7
642.57935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	5.2
55.05502	43.7
57.03430	14.5
57.07057	3.9
61.02902	7.2
65.03920	5.3
67.05494	71.1
68.60303	1.6
69.03408	6.9
69.06703	2.3
69.07056	24.7
70.28977	7.5
71.04976	4.6
73.02892	2.2
78.23832	1.3
79.05483	64.7
80.05837	1.5
81.03392	6.1
81.07043	85.0
82.07306	1.8
83.04951	6.1
83.08608	13.1
85.02863	6.1
85.06499	1.9
91.03930	2.8
91.05468	87.8
92.05798	2.6
93.07025	57.2
95.04955	12.3
95.08597	59.1
96.08909	1.9
97.02873	5.5
97.06539	7.7
97.10144	9.1
98.21456	1.9
99.08041	2.5
99.85217	1.5
103.05434	3.9
105.03328	2.3
105.04517	3.0
105.07016	67.5
107.04913	7.4
107.08578	32.3
109.06509	12.0
109.10148	18.3
110.06844	1.7
111.08061	5.5
115.05441	11.5
116.06182	4.9
117.06205	3.0
117.07001	45.7
119.08562	37.4
121.06461	6.9
121.10126	20.1
122.10500	1.6
123.08067	11.2
123.11695	4.1
125.09587	4.4
127.60671	1.5
128.06207	25.1
129.06989	34.6
130.07770	13.3
131.08554	89.3
133.06465	10.2
133.10112	24.5
134.17004	1.4
135.08022	8.0
135.11678	11.1
137.09648	3.7
139.11168	2.9
141.06955	14.2
142.07733	8.8
143.08536	100.0
144.09172	2.8
145.06439	6.2
145.10100	97.6
147.07994	13.5
147.11681	12.3
149.09598	5.4
149.13225	5.1
151.07472	2.1
154.07744	2.2
155.06001	1.7
155.08537	11.3
156.09274	1.8
157.10086	22.5
158.10590	1.8
159.08031	6.2
159.11649	21.6
161.09605	14.9
161.13222	3.8
163.11139	4.7
165.07022	2.7
165.12750	1.6
166.07692	2.2
167.08493	4.6
169.10059	16.0
171.07915	1.7
171.11647	17.9
173.09637	5.2
173.13194	4.6
175.11159	7.1
176.15662	1.5
177.12715	8.6
180.09398	3.4
181.10062	13.8
182.10901	2.0
183.11699	11.2
184.07265	1.8
185.09642	2.1
185.13252	11.4
187.11089	2.2
189.12704	2.1
195.11650	21.9
199.11153	2.0
199.14842	2.9
201.12729	3.3
203.12631	1.9
209.13181	4.5
211.14793	3.0
213.12714	4.9
213.63828	1.5
217.15823	1.5
227.17873	6.3
237.16339	23.8
245.18948	5.0
255.17422	23.2
256.17825	1.5
261.22116	4.0
267.15854	2.2
273.18451	66.4
274.18622	2.0
291.19217	4.0
329.21072	5.8
335.25739	83.5
336.26047	3.8
347.22131	41.9
476.74213	1.8
589.42334	1.9
607.43488	43.6
608.43506	2.5
625.44287	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	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.0
55.05504	31.9
57.03431	11.5
57.07057	2.4
61.02922	6.4
64.45043	0.9
65.03915	4.7
67.05493	63.3
69.03416	5.2
69.07059	15.5
69.55623	7.6
71.04982	3.1
71.29724	0.9
73.02904	2.4
74.12637	1.1
75.48961	0.9
77.03901	1.2
79.05481	48.8
81.03400	3.9
81.07045	59.8
83.04975	4.8
83.08604	10.2
85.02873	4.9
85.06522	2.5
91.03941	2.4
91.05466	58.7
93.07027	49.2
95.04946	7.8
95.08592	40.9
96.08944	0.9
97.02872	3.8
97.06496	4.6
97.10164	6.2
99.08089	1.9
103.05424	2.8
105.03405	1.0
105.04483	1.6
105.07013	44.1
105.15349	0.9
106.07265	1.0
107.04960	4.3
107.08575	23.9
109.06514	7.8
109.10139	14.3
109.20435	1.0
111.08080	2.9
115.05421	7.7
116.06225	2.4
117.06997	31.6
119.04930	1.0
119.08566	27.1
121.06484	6.0
121.10114	16.6
121.10916	1.7
123.08044	5.5
123.11695	4.1
125.09592	3.7
127.03883	1.4
128.06198	17.9
129.06979	18.0
130.07780	7.7
131.04903	1.2
131.08549	55.3
133.06487	6.1
133.10126	14.6
135.08044	4.5
135.11688	8.5
137.09625	2.2
137.13332	0.9
139.11160	2.2
141.06953	8.4
142.07770	5.6
143.08537	55.9
144.09200	1.2
145.06470	2.8
145.10100	55.4
147.08014	7.2
147.11667	10.7
149.09605	4.5
149.13231	3.5
151.07512	1.3
153.06955	1.9
154.07784	2.1
155.08534	7.1
157.10100	19.2
159.08005	4.9
159.11681	15.5
160.63683	0.9
161.09593	9.7
161.13210	2.6
163.11150	3.5
165.07004	2.7
167.08496	3.0
169.10109	11.7
171.11681	11.0
173.09665	1.7
173.11870	1.0
173.13232	5.7
175.11139	4.8
175.14732	1.4
177.12749	4.7
179.08418	1.2
181.10118	8.4
183.11681	8.5
185.13269	6.0
187.11212	1.9
187.14774	1.4
189.12701	1.8
195.11678	17.6
195.13419	1.7
197.13132	1.9
199.11162	2.0
199.14723	1.9
201.12756	3.1
208.65068	1.2
209.13200	2.9
211.14905	1.7
213.12735	2.3
227.12807	1.3
227.17871	5.7
231.13776	1.2
237.16318	14.0
241.14334	1.1
245.18977	4.6
255.17371	17.1
261.22211	5.1
273.18451	49.8
274.18738	1.6
275.19955	1.4
289.17978	1.2
291.19455	3.3
291.63177	1.0
304.51550	1.0
317.24850	1.2
329.21103	4.2
335.25748	100.0
336.26059	3.2
347.22098	25.5
365.23218	1.7
404.38873	1.1
478.86435	1.1
588.03894	1.1
589.42035	1.3
607.43463	38.5
608.43701	2.3
625.44128	3.8
787.48492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
57.03422	2.4
61.02923	1.7
69.03419	12.0
69.91789	1.0
71.04968	2.7
71.32292	1.2
71.32629	2.0
71.47362	1.0
73.02907	2.9
81.03409	13.0
85.02402	2.0
85.02894	28.9
87.00821	12.9
91.05470	7.9
94.04182	1.8
95.04932	1.4
97.02873	8.8
99.04442	5.0
103.03944	1.4
103.05433	2.2
104.20993	1.1
105.01844	5.9
105.07062	1.9
107.04930	2.2
109.02869	8.7
111.04436	1.0
115.03934	1.4
117.06971	1.4
119.04929	7.2
121.06498	1.5
122.03619	3.1
127.03900	14.9
128.06126	1.3
129.01820	1.5
129.06966	4.3
131.04915	4.8
135.08054	2.0
137.05963	56.3
138.06325	1.3
139.03847	1.1
145.05040	5.2
145.06416	2.6
149.05940	5.6
151.03860	4.7
151.07527	40.2
152.06168	1.1
152.07800	1.1
157.06519	5.6
159.02878	4.4
161.05954	10.7
161.09601	1.4
163.07549	16.0
165.06888	1.5
165.09146	2.4
167.08578	3.5
174.06721	2.6
175.07523	9.9
177.09068	14.3
178.07776	1.9
181.06458	2.0
189.04082	1.3
189.09056	14.9
191.07016	1.7
193.06561	1.4
193.10115	1.6
195.08034	6.5
195.10112	3.8
199.07481	1.7
201.09108	2.5
203.07005	2.7
207.08279	1.6
207.10127	4.7
209.08052	3.6
210.06671	2.0
211.07576	1.6
211.58051	1.2
213.09157	1.3
215.06982	1.4
219.10159	4.1
221.05988	2.5
221.09537	3.6
221.11716	3.1
223.07532	3.7
225.09013	3.3
227.10619	12.5
231.04965	3.1
231.10030	1.6
231.78403	1.2
233.09612	1.4
235.07607	1.4
237.09123	2.6
238.09961	1.4
239.07039	1.6
249.06609	1.2
249.09045	3.9
249.11177	2.3
253.08572	6.0
253.12152	6.7
255.10117	12.1
261.11313	3.0
263.06943	1.3
265.08517	3.1
266.09277	2.0
267.09988	2.3
269.08340	2.2
269.11597	2.0
278.09106	1.2
279.09927	2.3
281.11621	3.3
284.10205	1.8
285.11218	8.2
287.12793	18.1
291.09860	2.5
293.11719	3.5
297.11255	4.7
299.12753	7.7
303.04971	1.6
305.11646	1.7
309.11096	2.2
311.10095	1.1
311.12854	9.5
313.14392	13.3
315.12543	1.5
317.11642	1.4
321.11295	1.5
323.12726	3.2
325.14288	2.2
326.48743	1.2
331.15369	100.0
332.15826	2.2
335.12729	2.4
337.13651	1.2
341.13760	4.2
343.15375	33.6
344.15286	1.3
353.13898	2.3
355.15433	10.3
365.13879	1.8
367.15433	6.5
379.15213	1.6
385.16370	3.1
397.16714	5.4
403.15430	1.9
421.16504	13.5
439.17557	5.8
439.22733	1.4
507.16611	2.5
525.17450	4.0
543.18713	7.2
561.19977	6.5
632.26129	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	788.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.9
55.05500	20.0
57.03428	21.0
57.07059	3.5
60.86899	1.4
61.02913	3.5
61.20923	1.5
65.03930	3.1
67.05492	81.5
69.03416	5.5
69.07058	20.7
69.31393	8.4
69.31807	4.7
71.04979	6.4
73.02896	2.9
79.05481	58.2
81.03403	79.5
81.07044	74.3
82.07397	1.6
82.91318	1.4
83.04980	7.3
83.08606	23.0
85.02876	4.9
85.06534	3.1
86.09707	4.6
91.04899	2.2
91.05464	39.1
93.07027	58.7
93.07619	2.8
94.07378	1.5
95.04951	25.0
95.08591	50.8
97.02886	5.2
97.06515	5.0
97.10155	6.0
99.08079	2.2
105.04516	1.8
105.07012	33.5
107.04916	7.4
107.08576	26.9
108.08993	1.7
109.02857	1.9
109.06494	5.6
109.10137	23.7
111.04439	1.4
111.08080	6.3
115.05441	2.1
117.06990	9.1
119.08562	24.9
121.06478	3.7
121.10117	24.9
123.08083	4.6
123.11707	7.6
124.99973	3.4
125.09628	5.0
127.03947	1.6
129.06973	11.8
131.08545	23.9
133.06503	4.3
133.10129	20.8
134.10416	1.5
135.08055	2.5
135.11662	18.6
137.09618	3.9
137.13222	3.9
138.24104	1.2
138.26419	1.3
139.11151	1.9
142.07753	2.8
143.08543	3.0
145.10088	12.8
147.08057	3.9
147.11670	13.8
149.09592	7.4
149.13243	8.3
151.11136	1.8
157.10081	11.1
159.11632	7.7
161.09641	1.7
161.13228	4.5
163.11142	2.6
163.14798	2.2
165.12781	1.6
171.11687	2.5
173.04404	1.8
173.11914	2.0
173.13197	7.8
175.11128	9.6
175.14853	3.2
177.12729	1.6
177.16359	1.9
177.18637	1.9
184.07300	15.5
185.09608	1.4
187.14799	3.3
189.11176	4.7
193.12202	23.1
207.97498	1.5
211.13272	3.4
227.12787	7.4
229.14275	1.6
233.22391	1.5
235.13330	1.8
243.20999	5.1
249.14795	3.5
249.19405	1.3
261.22162	21.0
267.15881	87.5
268.16010	2.7
285.17020	1.6
285.22064	1.5
299.14856	2.9
301.25180	3.5
315.22986	1.6
317.24765	3.5
331.13638	1.7
331.17297	8.7
333.24393	2.5
335.25751	100.0
336.26172	4.4
421.25476	2.1
435.32623	4.7
453.33441	10.2
471.34528	3.8
489.35608	10.4
527.37213	58.4
528.37543	4.8
529.38977	2.0
545.38226	35.5
546.38501	2.6
559.36151	3.2
569.38202	3.5
573.38000	2.3
591.38745	5.8
611.47119	2.6
626.44678	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	788.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
55.05507	16.6
57.03432	8.0
57.07039	1.3
57.65490	1.4
61.02892	1.5
65.03943	2.3
67.05154	2.0
67.05496	36.3
69.03410	4.0
69.07059	19.7
69.32905	14.1
71.04971	5.9
73.31064	1.2
79.05486	27.2
80.05833	1.8
81.03410	46.1
81.07047	44.5
83.04971	8.5
83.08606	14.2
85.02891	3.9
85.06527	3.1
91.05469	42.5
91.55641	1.2
93.07033	33.1
95.01299	3.8
95.04946	19.9
95.08025	2.1
95.08595	25.9
96.08945	1.4
97.02873	3.1
97.06514	11.9
97.10142	4.4
98.21463	3.5
99.08083	2.1
104.47453	1.2
105.04545	1.4
105.07021	48.7
106.07322	2.2
107.04949	13.5
107.08585	14.4
109.06501	7.5
109.10130	9.5
111.08064	6.0
115.05466	1.8
117.06995	10.9
119.08572	26.8
121.06505	4.4
121.10146	9.4
123.04368	1.7
123.08046	4.1
123.11659	1.5
125.09610	2.0
128.06187	1.7
129.06996	8.3
131.04878	1.6
131.08545	18.5
133.06485	2.9
133.10117	26.3
135.08022	3.1
135.11644	4.3
141.06984	2.8
142.07779	1.9
143.08499	3.1
145.10127	12.5
147.08031	2.6
147.11642	13.6
149.09637	7.4
149.13242	3.6
151.11154	2.0
155.08492	2.0
157.10118	8.4
159.11679	8.1
161.13242	2.9
163.11153	3.3
165.09145	2.0
169.49849	1.5
173.13255	3.1
175.11172	5.8
177.12682	2.2
179.14299	5.6
184.07228	2.3
185.13231	1.5
185.67247	1.4
187.40948	1.4
193.12201	10.9
211.13223	5.4
219.17482	5.0
243.10089	1.4
251.82132	1.3
253.14301	4.7
257.19040	2.9
267.15915	41.8
275.20047	33.0
276.20383	3.0
285.16983	10.2
291.19495	3.6
293.20996	4.5
317.75626	1.2
349.23709	23.8
365.23276	1.7
381.26196	2.2
529.38873	1.6
533.34906	1.7
541.35187	100.0
542.35675	7.4
559.36365	6.9
583.35974	1.9
591.38275	4.6
608.44629	2.0
611.46063	2.3
626.44739	2.9
629.48486	1.7
788.49481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
56.29485	0.2
58.06348	0.2
58.06611	0.5
60.08156	6.2
67.05505	0.2
71.07369	3.8
71.48246	0.4
86.09695	31.5
98.98449	3.6
102.26247	0.2
104.10741	3.1
120.75494	0.2
124.99986	21.9
128.14006	0.2
143.01044	0.5
184.07317	100.0
185.07658	0.6
225.49673	0.2
273.16931	0.2
690.46942	1.2
770.52618	0.5
776.62018	0.2
788.54260	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	789.2071
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01839	0.3
56.68453	0.1
57.03432	1.1
61.02921	1.5
68.99770	0.3
69.03391	0.5
71.04391	0.2
71.04987	8.7
73.02866	0.5
75.04430	0.5
81.03362	0.2
83.04926	0.5
85.02896	11.6
87.04440	0.3
91.03958	0.9
97.02885	1.2
99.04424	0.3
109.02840	0.6
111.00797	1.8
111.04402	0.6
121.02880	0.2
123.04283	0.1
123.99052	0.1
127.03888	1.0
129.05461	2.6
135.04427	0.2
137.02316	1.4
139.03940	0.2
140.99294	0.2
145.04877	0.3
147.06480	0.9
153.01816	6.6
153.05399	0.2
163.03894	1.6
165.00528	0.2
165.01822	2.7
166.02562	0.3
179.03349	1.1
183.02879	0.7
189.05476	0.5
193.01353	0.4
195.02847	0.6
199.03879	0.2
203.03346	0.3
207.02838	0.4
217.04958	1.8
221.04387	0.2
227.03227	0.3
229.05002	0.2
235.02399	0.3
235.05913	0.2
245.04443	3.4
255.02789	0.5
255.08217	0.2
263.05490	0.6
273.03903	4.0
280.12027	0.2
282.89536	0.2
290.04227	1.2
291.04813	0.3
301.03421	1.3
303.04929	1.1
313.48715	0.1
319.04443	100.0
320.04752	2.2
331.04309	0.3
343.04385	0.3
361.05573	0.6
385.05692	0.3
463.08643	0.2
465.10046	0.7
481.09723	21.6
482.10089	0.6
554.01392	0.2
627.15216	0.2
643.15186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.0
55.05506	30.9
57.03413	13.9
58.09826	3.1
61.02911	8.8
65.03925	5.1
67.05496	79.6
69.03396	14.7
69.07054	28.9
70.72530	9.9
71.04964	6.6
75.78220	3.5
76.54945	2.8
79.05479	67.6
81.03398	13.6
81.06573	5.8
81.07043	100.0
83.04977	15.5
83.08596	13.0
85.02878	11.7
85.06523	9.7
86.09693	12.8
89.47234	3.3
90.08501	2.9
91.05467	64.5
93.06470	4.6
93.07030	75.5
95.04942	11.6
95.08588	59.2
97.02861	9.1
97.06503	11.7
97.10153	8.6
105.06362	5.8
105.07012	58.5
107.04920	12.1
107.08571	39.8
109.02839	4.4
109.06487	14.1
109.10152	24.3
111.08045	5.1
117.07008	22.8
119.07788	4.6
119.08567	48.8
121.06533	4.3
121.10132	25.3
123.04434	3.1
123.08042	6.4
123.11681	10.0
125.09697	3.7
127.03889	3.8
129.06960	8.0
131.08554	27.0
133.06490	4.3
133.10103	37.1
135.08064	8.0
135.11668	14.8
137.09541	6.3
139.89957	3.8
143.08571	7.7
145.10092	26.9
147.08025	4.4
147.11700	18.8
149.09570	9.3
149.13239	8.2
150.93179	3.3
157.10088	6.3
159.11684	15.4
161.13206	8.1
163.11136	4.8
169.10002	3.6
171.11659	7.7
173.09433	3.9
173.13255	7.8
184.07309	20.0
185.07660	4.0
185.13152	3.7
187.14883	5.2
191.21332	3.4
195.11510	4.2
197.13341	3.7
219.17360	4.2
223.70862	3.6
253.14235	9.3
253.90002	3.2
257.18909	11.7
261.22095	5.3
275.20056	60.8
281.51733	3.3
293.20932	4.0
335.25766	65.5
336.26321	3.7
347.22321	3.5
349.23740	38.0
356.93005	3.6
480.19177	3.9
529.38550	9.7
609.44916	39.0
627.45892	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	13.6
55.05506	37.8
57.03429	34.7
59.04996	2.4
61.02901	7.1
65.03926	4.4
67.05499	92.0
68.05830	2.8
69.03423	19.8
69.07059	69.3
71.01327	3.2
71.04990	30.0
71.10510	4.2
71.10834	3.2
73.02888	8.1
77.98557	2.5
78.10730	2.7
79.05486	87.1
81.03413	93.1
81.07049	95.1
83.04974	32.5
83.08612	34.3
85.02893	32.7
85.06528	5.2
86.09710	3.1
91.03939	3.1
91.05470	80.2
93.07036	76.0
95.04962	53.7
95.08591	36.8
97.02879	14.4
97.05905	5.0
97.06521	100.0
97.10139	10.1
97.70500	3.0
99.04427	5.7
99.08080	12.6
103.03947	3.0
103.05432	3.3
105.07021	58.7
107.04951	17.7
107.08576	39.4
109.02895	6.3
109.06514	23.9
109.10152	18.9
111.04417	5.4
111.08076	22.1
113.05988	3.2
114.97108	3.1
115.05433	4.4
115.07549	26.7
117.07019	24.9
119.04913	3.7
119.08568	40.4
121.06477	10.9
121.10137	26.3
123.08047	10.5
123.11658	5.0
125.09624	5.9
127.03901	8.9
127.07549	6.8
128.06216	3.5
129.06998	26.3
131.08556	36.4
133.06482	6.4
133.10098	37.5
135.08029	14.8
135.11693	14.4
137.09570	8.1
142.07779	4.5
143.08533	11.9
145.06502	4.8
145.10094	19.0
147.08014	11.0
147.11682	23.9
149.09590	15.9
149.13211	10.4
151.11205	4.2
153.39879	2.7
155.08530	5.8
157.10117	24.2
159.08025	3.3
159.11687	17.2
161.09610	9.3
163.11153	10.4
165.12744	4.1
167.08432	3.5
169.10120	5.0
171.11699	5.9
172.96803	2.3
173.04405	6.3
173.09558	5.8
173.13260	6.5
175.11189	23.1
177.12753	4.0
181.08168	2.7
181.10004	3.0
183.11661	4.2
184.07265	6.9
185.13313	3.3
189.12717	3.1
193.12231	55.2
195.11876	2.6
195.13760	5.2
199.14787	3.9
201.12601	3.1
203.14301	3.4
211.13287	71.7
217.15851	14.1
219.13785	3.1
227.12766	9.9
229.14297	3.0
245.18935	5.8
253.14314	4.7
267.15805	25.9
269.17441	27.0
273.18427	45.8
275.20145	7.4
283.15329	14.1
285.16943	64.0
291.19467	22.5
307.18900	5.6
347.22107	16.0
353.90192	2.8
365.23126	11.3
437.25204	4.8
447.27765	3.1
461.28934	10.6
465.28961	6.1
477.28519	13.3
479.29828	32.3
483.30692	2.6
501.32748	2.7
517.31506	4.5
523.05542	2.6
539.33777	3.0
557.34796	19.7
575.35797	21.7
593.36749	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	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	16.1
55.05503	40.4
57.03434	25.1
57.07053	3.8
59.04979	2.3
60.57707	1.9
61.02905	6.6
63.21057	2.1
65.03943	5.1
67.05497	100.0
69.03414	13.7
69.07066	55.4
70.05977	11.6
71.01334	3.3
71.04977	13.6
73.02908	3.6
74.98961	2.1
79.05486	76.5
81.03410	66.7
81.03892	3.3
81.07049	81.9
83.04974	23.4
83.08619	30.6
85.02895	21.5
85.06530	7.3
86.09673	5.8
91.05473	70.7
93.07034	71.5
95.04964	39.3
95.08595	45.0
97.02869	9.9
97.06519	25.3
97.10145	11.1
99.08076	3.0
103.05434	2.4
105.07019	64.3
107.04944	24.1
107.08577	40.8
109.06491	8.9
109.10142	42.8
111.04445	5.6
111.08080	15.6
113.06007	4.8
113.09547	2.3
116.04678	3.1
117.06992	16.4
119.08567	42.8
121.06509	8.4
121.10147	19.6
123.08045	10.0
123.11694	5.0
123.74383	2.5
124.99961	2.3
125.09613	10.7
127.03896	3.7
128.06219	3.0
129.05467	7.5
129.06972	15.8
131.08563	33.2
133.06458	6.0
133.10118	51.8
135.08006	11.2
135.11665	15.6
137.09605	15.4
139.07497	3.0
143.08537	5.5
145.06456	3.4
145.10107	19.8
147.08009	5.4
147.11661	23.4
149.09607	24.2
149.13272	8.2
151.11147	12.1
155.10580	2.6
157.10081	18.0
159.08060	2.4
159.11653	11.1
161.09560	3.5
161.13272	6.5
163.11169	9.8
165.09161	2.8
165.12776	4.7
169.10071	2.9
171.06664	2.8
171.11644	7.4
173.09460	2.4
173.11743	5.8
173.13261	5.0
175.11218	16.4
179.14273	4.5
183.11670	3.7
184.07329	15.5
185.13234	3.8
187.11160	3.4
189.11189	4.6
193.12222	38.6
195.13756	8.1
205.14848	2.3
209.11719	3.1
211.13239	35.6
219.13876	2.6
223.13214	2.5
227.12720	6.3
229.14302	9.4
247.20648	2.9
253.14354	27.4
255.15790	5.4
257.18924	8.1
267.15903	31.3
269.17459	10.7
273.18402	9.7
275.20001	30.5
283.15384	6.2
285.16895	30.7
287.19916	3.4
291.19516	11.8
293.21030	4.6
299.14865	3.3
301.16342	14.9
331.83371	2.6
333.24454	2.9
347.22195	4.1
349.23740	35.3
365.23117	12.6
381.22830	3.4
421.25723	2.9
423.27249	5.0
439.26862	10.7
445.25534	4.9
463.30923	3.4
467.31320	2.3
477.28229	5.0
481.27853	2.9
495.29337	7.1
539.33838	6.7
541.34985	9.8
542.35468	2.6
543.37109	3.0
557.34662	20.6
559.36261	24.1
560.36310	2.5
575.36163	13.6
593.51404	2.5
771.53137	2.5
790.46747	2.6
794.57507	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	790.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.2
55.05508	31.1
57.03219	2.0
57.03440	19.4
57.07059	2.8
57.80285	2.1
59.04982	3.0
60.08175	2.4
61.02919	4.4
65.03936	3.5
67.05499	100.0
68.73087	2.4
69.03419	9.6
69.07063	29.1
71.01344	3.9
71.04969	10.0
71.15170	4.0
73.02879	2.5
75.33282	2.2
79.05485	77.4
79.05948	4.2
81.03406	17.6
81.07049	96.6
83.04967	15.0
83.08611	15.6
85.02898	11.9
85.06519	5.8
86.09686	6.6
91.03954	3.0
91.05472	51.0
93.07030	89.3
95.04961	18.1
95.08593	62.3
96.08919	3.1
97.02890	15.4
97.06520	11.8
97.10161	7.4
99.04436	4.8
99.08076	3.5
100.27834	2.2
105.07025	35.0
107.04946	12.0
107.08583	48.0
109.02847	2.9
109.06512	5.4
109.10140	30.0
111.04446	13.2
111.08060	3.7
117.07001	16.8
119.08576	31.9
121.06467	5.8
121.10137	53.3
123.04459	3.0
123.08038	7.7
123.11687	8.6
125.00002	5.4
125.09612	6.1
125.20921	2.1
127.03912	4.6
129.06987	5.3
131.08543	24.5
133.10101	22.7
135.08011	4.0
135.11674	26.7
137.09581	4.7
139.11189	6.4
143.08546	5.0
145.10110	26.4
147.08003	3.2
147.11668	12.4
149.09641	12.2
149.13252	7.0
151.11081	2.8
155.08493	2.8
157.10121	5.9
159.11662	10.3
161.13216	6.4
163.11150	10.4
167.10669	3.0
169.10030	2.9
171.11700	5.3
172.06133	2.2
173.04439	5.8
173.09602	6.0
173.11778	4.7
173.13235	9.2
175.14809	4.3
179.10626	2.3
181.12204	6.4
183.11647	2.3
184.07326	26.0
185.13194	3.5
187.14796	3.6
191.10696	11.5
197.13272	2.4
209.11671	34.0
209.13345	3.4
227.12761	16.9
229.14348	7.6
241.14301	10.9
243.21039	3.8
255.16109	3.1
259.15405	2.6
259.20578	4.5
261.22015	15.0
265.14468	4.7
273.22177	3.0
275.23392	2.5
277.21655	2.7
283.15350	28.8
301.16397	19.7
301.21689	3.0
302.89835	2.1
303.23120	4.8
315.18015	4.5
315.23184	4.4
333.24155	3.3
335.25772	84.2
335.29852	4.4
336.26028	5.0
385.18256	2.8
389.26962	2.5
409.30743	2.5
433.30945	3.9
451.31833	4.9
454.26569	2.2
469.32782	4.8
487.34219	4.1
489.35828	7.8
501.35815	12.9
515.37073	4.1
519.36420	5.5
525.35529	7.9
533.37561	3.0
543.36786	53.0
561.37756	44.2
562.38287	2.5
575.39075	7.6
579.38831	6.4
687.41687	3.7
705.41852	3.1
717.83148	2.4
790.39197	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	790.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05250	2.2
55.05506	35.3
57.03429	18.9
57.07058	3.3
59.04994	29.1
61.02911	2.6
65.03928	2.4
67.05496	100.0
67.59997	1.0
69.03418	4.0
69.07056	12.6
71.04984	11.5
73.02898	1.3
79.05482	40.8
81.03385	7.5
81.07046	54.4
83.04971	4.8
83.08619	14.1
85.02888	6.7
85.06516	2.7
86.09690	2.4
87.04458	45.8
89.06006	1.5
91.05469	26.5
93.07030	39.7
95.04958	5.9
95.08594	33.0
97.02894	2.9
97.06503	4.0
97.10152	16.3
99.04434	14.3
101.06023	1.5
105.06363	1.8
105.07018	14.9
107.04967	1.9
107.08578	22.8
109.06499	3.1
109.10145	49.3
111.04456	1.7
111.08050	3.1
115.03859	1.2
117.07006	6.3
119.08573	14.8
121.06509	1.9
121.10118	14.6
123.08064	2.2
123.11682	3.7
125.09608	12.1
127.03906	1.9
129.07005	2.5
131.08546	6.5
133.10106	9.4
135.11682	9.5
137.09598	3.5
143.08577	1.2
143.10674	1.2
145.10133	6.9
147.11647	4.6
149.09604	2.0
149.13257	4.7
157.10124	1.4
159.11670	4.5
161.13269	4.6
163.11171	5.3
163.14827	2.1
171.11679	2.2
173.11725	13.6
173.13258	3.7
184.07292	6.9
187.14780	2.5
189.11285	1.9
191.10686	1.8
193.12241	2.3
195.13797	1.4
199.13196	8.3
201.45059	1.1
210.51471	1.2
223.13426	1.5
227.12764	3.9
229.14311	26.3
229.21947	1.3
235.00621	1.4
241.14317	3.9
259.15421	1.5
259.20380	1.6
261.22104	10.7
267.15860	5.2
277.21762	1.4
315.18057	7.0
335.25742	43.7
351.04074	1.2
363.25085	2.0
402.35324	1.2
477.35730	14.3
489.35696	35.3
490.35901	2.2
491.37100	3.7
521.82001	1.6
525.35199	1.2
531.40210	2.1
543.36792	2.8
543.89325	1.2
547.39111	1.5
593.40332	2.6
613.47998	3.9
623.10352	1.3
631.48682	1.5
732.45856	1.2
746.85382	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.5
55.05506	37.6
57.03422	14.9
57.07063	3.6
61.02944	2.5
65.03920	4.7
67.05497	82.5
68.05809	2.2
69.03410	7.1
69.07064	27.5
69.27273	6.3
69.27678	18.9
71.04981	13.2
79.05480	74.3
79.05945	3.6
81.02965	3.8
81.03409	62.4
81.06563	4.6
81.07043	79.6
82.07350	1.9
83.04974	11.0
83.08611	24.0
85.02880	6.1
85.06523	5.6
86.09676	2.9
88.20418	2.0
91.03949	2.5
91.05468	76.9
93.07030	69.0
95.04958	31.9
95.08590	38.8
97.02859	6.3
97.06503	8.7
97.10151	16.5
99.08051	5.1
103.05428	3.7
105.07015	65.9
107.04939	10.3
107.08578	41.5
109.06509	7.9
109.10131	21.0
111.04380	2.6
111.08054	9.4
115.05435	4.8
117.07001	23.5
119.08559	55.2
121.06518	7.1
121.10143	33.8
121.68789	1.9
123.08032	7.7
123.11677	7.9
125.00002	2.7
125.09618	13.5
128.06190	3.7
129.06973	20.2
131.08549	38.5
131.86014	2.0
133.06372	2.6
133.10112	42.2
135.08054	7.9
135.11684	18.0
137.09573	6.7
140.23477	2.0
141.06967	3.8
142.07753	4.8
143.08543	17.7
145.10103	32.4
147.08025	6.6
147.11688	29.6
149.09607	7.5
149.13245	7.7
151.11211	4.2
155.08536	7.7
157.10092	23.7
159.08032	2.9
159.11665	18.6
160.12231	2.2
161.09662	3.9
161.13205	14.4
163.11147	6.3
165.12785	4.2
169.10141	14.2
171.11665	13.3
173.09665	4.0
173.11893	2.4
173.13240	13.8
175.11145	9.4
175.14778	3.3
177.12756	2.6
181.10094	3.4
183.11649	7.4
184.07297	14.4
185.09668	3.4
185.13225	12.2
187.11208	4.2
187.13239	2.4
187.14786	6.6
189.11163	5.7
189.12701	3.7
193.12239	13.8
195.11694	5.9
197.13239	5.3
199.11140	3.4
199.14763	8.1
207.11729	2.7
209.13158	4.8
211.14795	2.6
213.16435	3.7
221.13327	2.8
225.16328	2.6
227.12755	9.2
229.14238	2.7
231.20956	2.6
241.19470	6.3
259.20560	18.8
267.15851	19.9
269.17514	2.9
275.20044	5.8
291.19440	5.2
295.19995	2.4
299.23654	7.5
315.22900	2.8
333.24127	12.2
349.23730	2.4
383.07193	2.4
397.93033	2.0
403.24762	4.5
405.26581	2.4
415.29727	3.0
421.25574	7.5
423.27084	4.0
431.27789	3.1
433.30939	11.5
435.27591	3.5
437.29074	3.0
445.29156	2.8
448.55264	2.3
449.28882	3.9
451.31943	14.2
461.28641	3.0
463.30585	2.7
467.53931	2.5
469.33081	6.8
479.09091	2.6
495.32773	3.0
507.34521	7.7
517.35089	6.0
525.35645	51.7
543.36749	100.0
557.37732	9.0
575.39984	12.7
790.41223	2.4
791.41583	3.6
798.66534	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	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05508	18.9
57.03428	11.4
57.07058	1.9
57.16348	1.1
59.04987	1.4
61.02917	2.4
65.03935	3.9
66.93781	1.4
67.05499	69.6
67.26225	1.2
69.03414	7.3
69.07066	23.6
70.15190	6.7
71.01369	1.3
71.04984	27.0
73.02882	1.6
76.00223	1.3
79.05042	2.6
79.05488	40.0
79.05954	2.0
80.05811	1.2
81.03415	12.7
81.07049	100.0
82.07378	2.1
83.04974	10.1
83.08616	13.1
85.02895	3.2
85.06532	8.9
86.09707	3.0
91.03945	1.2
91.05470	40.6
92.05776	1.7
93.07032	41.4
95.04964	11.8
95.08592	25.2
95.10464	1.1
97.02885	4.4
97.06515	14.7
97.10168	4.7
98.21420	1.3
99.08118	2.3
105.04562	1.4
105.07017	28.2
106.07337	1.7
107.04926	6.1
107.08581	31.6
109.02866	2.4
109.06524	7.2
109.10136	11.7
111.04450	1.2
111.08067	4.8
113.09651	2.1
115.05500	1.2
117.06993	13.5
119.08580	15.8
121.06494	2.4
121.10137	12.9
123.08079	2.8
123.11700	11.9
125.09658	2.3
127.03880	2.2
127.85709	1.2
129.05495	2.4
129.06995	4.1
131.08553	14.9
133.10115	26.5
134.10506	1.3
135.08083	4.5
135.11693	11.4
137.09601	2.1
142.07736	1.5
143.08530	3.2
145.10141	8.7
147.08008	1.6
147.11670	6.6
149.09625	7.4
149.13249	11.2
151.11183	9.1
155.08521	1.8
157.10138	2.8
159.11685	10.9
161.13283	3.8
163.11154	4.4
165.12724	1.6
169.10059	2.2
171.11679	2.3
173.04424	2.0
173.13225	3.3
177.12747	4.3
183.11809	1.6
183.13792	4.3
184.07304	11.3
187.13321	4.2
189.11110	1.6
193.12206	2.3
195.12100	1.3
195.13791	5.5
221.15227	1.3
225.14955	1.7
226.20146	1.2
227.12834	3.3
229.14273	1.8
239.17973	1.6
243.15878	4.1
247.20737	1.3
251.16280	1.4
253.14374	1.5
255.15739	2.3
257.19427	2.2
267.15851	5.0
268.16232	2.2
269.17401	13.3
270.90652	1.2
275.20047	15.6
276.20416	2.1
285.10034	1.8
293.21112	2.9
301.20016	16.7
349.23700	13.6
367.24719	2.6
419.28201	1.6
423.27307	7.8
427.27286	1.3
437.28964	27.4
445.29645	1.8
449.28937	21.2
451.30490	7.7
461.71902	1.3
463.30469	18.1
481.31708	6.9
495.33255	33.9
496.33670	2.4
499.34061	4.3
506.07379	1.3
517.35181	32.1
518.35760	1.6
525.36011	2.2
531.36890	3.8
535.35779	2.6
541.35168	3.5
542.35559	3.6
543.36389	16.2
561.37817	3.6
575.39270	8.7
581.33112	1.5
593.40125	3.7
607.34711	4.1
629.47247	1.5
780.48730	1.3
791.38452	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	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.5
55.05505	18.8
56.05848	1.2
57.03425	8.5
57.07059	3.4
59.04969	1.7
60.77665	1.2
61.02924	2.3
65.03934	2.3
67.05500	69.5
68.05795	1.5
69.03421	5.7
69.07066	19.9
71.04989	28.7
71.12372	3.1
73.02920	1.8
73.29311	1.3
78.44416	1.2
79.05484	41.9
80.77599	1.4
81.03401	11.3
81.07048	100.0
82.07380	1.4
83.04967	11.8
83.08608	10.6
85.02882	2.7
85.06547	10.6
86.09702	5.1
91.05470	40.0
93.07035	43.2
95.04958	8.4
95.08607	24.0
97.02869	3.8
97.06528	9.9
97.10150	5.5
99.04471	2.8
99.08057	2.5
105.07020	28.2
107.04934	5.8
107.08593	29.2
109.06520	5.2
109.10153	9.7
111.08067	3.8
117.07009	12.8
119.08562	14.7
121.06503	3.5
121.10127	13.0
123.08147	2.7
123.11695	12.5
125.00011	1.6
125.09612	3.4
129.07008	4.3
131.08546	14.5
133.10109	26.1
135.08047	4.1
135.11681	12.6
137.09572	2.6
143.08537	3.7
145.10144	7.8
147.07991	1.9
147.11722	6.9
149.09613	6.4
149.13223	10.8
151.11168	7.7
157.10170	1.5
159.11693	12.6
161.13232	2.3
163.11166	4.1
171.11626	2.2
173.04427	2.6
173.13196	2.5
175.11153	1.9
177.12752	5.9
183.11711	2.2
183.13849	3.4
184.07356	11.8
187.13286	4.2
195.13829	4.3
201.14833	2.0
218.23007	1.5
225.14775	2.1
243.15820	2.5
255.15994	2.2
267.16022	2.6
269.17429	16.7
275.20068	12.8
301.20102	16.0
331.22684	2.3
349.23727	10.6
367.24936	1.4
423.27560	7.2
437.28952	29.0
445.28897	2.1
449.28851	19.0
451.30362	8.6
463.30508	24.6
481.31479	6.7
489.35266	2.7
495.33127	45.6
496.33099	1.9
499.34344	3.1
517.35291	24.1
531.36328	2.7
535.36188	1.8
543.36707	10.4
561.37335	4.2
575.39215	6.5
607.34900	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	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.1
55.05505	34.5
57.03181	2.2
57.03431	21.1
57.07056	3.1
58.61087	1.6
59.04982	1.8
60.08154	3.2
61.02914	4.8
65.03933	5.8
67.05495	100.0
68.05798	2.9
69.03429	13.3
69.07053	29.1
71.01322	2.7
71.04974	9.1
73.02909	2.1
79.05481	86.6
81.03404	24.3
81.07045	95.3
82.07391	2.1
83.04962	16.9
83.08611	17.3
85.02887	10.4
85.06543	8.8
86.09698	8.7
91.05469	56.4
93.07032	82.7
94.07379	2.4
95.04957	22.9
95.08594	70.3
97.02888	15.5
97.06510	11.0
97.10166	10.2
98.20615	3.4
99.04435	4.6
99.08128	1.9
103.05476	2.4
105.07014	40.0
107.04938	13.3
107.08579	48.1
109.02883	3.6
109.06501	7.4
109.10138	36.6
111.04435	15.9
111.08054	3.2
111.11709	2.7
117.06996	20.5
117.33733	1.7
119.08568	31.5
119.34518	2.2
121.06487	6.5
121.10122	50.6
123.04389	4.0
123.08043	7.3
123.11666	9.4
124.99980	4.6
125.05973	3.9
125.09589	6.6
127.03867	5.8
129.06981	6.6
131.08542	31.3
133.10100	27.1
135.08000	3.9
135.11655	27.8
137.09593	5.2
139.11156	8.3
143.08546	6.5
145.10106	22.9
147.08060	4.6
147.11617	13.5
149.09596	14.1
149.13142	9.1
151.11172	3.5
153.12674	2.0
155.08609	3.0
157.10141	5.2
159.08000	2.4
159.11691	11.3
161.09581	2.9
161.13246	7.4
163.11160	18.5
163.14790	5.9
167.10654	5.9
169.10107	3.1
171.11670	6.2
173.04443	8.5
173.09601	7.3
173.11736	4.7
173.13248	9.8
175.14845	2.5
181.10060	2.3
181.12273	6.4
183.11717	2.4
184.07326	25.2
185.13249	3.9
187.14771	5.1
189.11182	3.2
191.10649	11.5
193.12202	3.2
197.13383	2.7
199.14857	3.5
203.12727	3.7
209.11699	41.8
209.13567	3.8
213.14774	3.1
223.13242	2.3
227.12727	12.3
229.14577	8.7
241.14285	17.2
241.19537	2.5
243.15816	4.7
243.21036	4.7
255.15869	4.6
259.15353	4.3
259.20547	7.1
261.22101	16.1
265.14346	3.7
267.15784	2.7
273.16763	2.8
275.20004	2.6
277.21777	2.3
283.15417	22.3
285.22083	2.3
289.21518	2.2
297.22067	3.1
299.23605	2.4
301.16470	34.0
301.21597	3.3
303.17877	2.4
303.23154	7.1
315.17932	5.0
315.23074	6.5
317.24588	3.9
333.18985	2.3
333.24176	2.9
335.25748	78.0
336.26282	3.5
353.15967	2.6
371.25797	1.9
377.27072	2.4
433.31183	5.5
445.20602	3.1
451.31931	7.0
469.32813	6.0
487.34113	6.7
489.35596	7.6
501.35818	9.0
515.37030	5.2
521.21753	2.1
525.35724	9.1
543.36731	47.5
544.37335	3.1
561.37811	35.6
575.39026	5.1
579.38519	6.0
593.40088	2.1
760.97229	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	790.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
57.07070	0.1
58.06626	0.4
59.07383	0.1
60.08156	7.5
69.84663	0.5
70.06594	0.1
71.07364	4.0
79.05511	0.1
81.07035	0.1
86.09693	34.5
87.10030	0.3
90.37254	0.1
93.07037	0.1
95.08582	0.2
98.21342	0.1
98.98450	3.8
98.99100	0.2
104.10728	2.8
111.68723	0.1
116.99458	0.1
124.99987	24.0
126.00268	0.1
127.05585	0.1
143.01036	0.4
149.10924	0.1
163.01640	0.1
166.02637	0.2
184.07315	100.0
185.07678	1.2
216.91618	0.1
232.69086	0.1
286.33899	0.1
496.33994	0.2
690.46942	1.1
691.46210	0.1
772.54395	0.5
788.11169	0.1
790.55750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.2
55.05507	25.2
57.03440	15.7
57.07050	2.0
59.05001	3.0
61.02933	2.8
64.80196	2.0
65.03926	2.6
67.05502	71.2
67.05875	3.4
69.03423	7.1
69.07064	30.1
71.04984	8.7
79.05486	52.1
81.02922	2.2
81.03410	75.4
81.07051	89.0
82.07381	2.0
83.04984	17.2
83.08617	39.7
85.02902	27.8
85.06542	5.2
91.03866	2.0
91.05477	60.2
93.07038	56.5
95.04960	33.1
95.08600	26.7
97.02880	6.9
97.06534	14.6
97.10139	14.6
98.20677	2.7
99.08059	4.4
105.07029	47.1
107.04939	13.1
107.08582	31.4
109.06513	13.1
109.10147	14.2
111.04465	2.7
111.06875	1.9
111.08080	17.6
113.06022	3.5
115.05430	2.2
117.06995	12.4
119.08571	39.9
121.06523	4.3
121.10138	23.3
122.10400	1.9
123.08062	6.3
123.11699	8.4
125.09628	7.4
129.06993	17.0
131.08548	23.6
133.06522	4.3
133.10115	26.6
135.08023	4.8
135.11652	9.7
137.09612	3.8
139.11244	2.5
142.07793	3.0
143.08592	3.3
145.10127	13.6
147.08022	4.7
147.11685	26.7
149.09590	16.7
149.13257	14.8
151.11160	3.6
157.10146	21.2
159.11717	11.6
161.09653	2.6
161.13252	2.6
163.11180	4.6
165.12755	6.3
171.11656	2.8
173.13263	2.5
175.11185	18.6
177.12708	3.1
184.07356	6.0
189.11288	2.1
193.12225	49.8
195.13785	3.1
197.13341	3.0
211.13284	59.7
227.12761	7.8
229.14320	6.7
239.17941	4.2
249.14844	2.4
257.18988	6.1
267.15906	30.4
269.17435	37.0
270.17780	2.4
275.20023	45.8
285.10242	2.5
285.16943	69.8
286.17197	2.9
293.21149	6.8
331.22620	2.4
349.23697	30.7
350.23880	2.1
367.24789	13.8
392.63550	2.1
417.26074	2.1
421.25845	2.6
431.29065	2.3
439.26843	11.5
443.27545	3.4
461.28967	36.4
467.31653	2.8
479.29993	100.0
480.30222	8.8
541.35339	26.0
542.35034	2.7
559.36267	50.1
577.37415	23.2
623.33850	4.0
792.38336	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	792.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05503	9.7
57.03149	0.5
57.03430	7.0
57.07064	1.9
61.02916	1.8
65.03929	1.8
67.05497	43.8
69.03428	0.8
69.07062	10.3
70.84571	0.8
71.04983	1.7
71.08629	1.1
73.02892	0.5
77.03910	0.5
79.05485	27.1
80.05821	0.4
81.03424	0.4
81.07048	44.1
82.07397	0.5
83.04971	1.2
83.08610	5.7
85.02896	2.0
85.05922	0.2
85.06534	1.3
91.03941	0.9
91.05471	16.3
93.07034	30.6
95.04966	2.6
95.08595	37.7
97.02876	1.3
97.06545	1.7
97.10163	2.5
99.08109	0.7
103.05440	0.3
104.64198	0.3
105.04532	0.5
105.07018	13.2
107.08582	18.2
109.06499	1.0
109.10144	18.3
110.10497	0.5
111.08069	1.7
111.11688	0.5
113.09644	0.4
115.05409	0.4
117.07005	5.0
119.08566	12.5
121.10130	17.6
123.08067	0.8
123.11681	7.1
125.09643	1.1
129.06992	1.2
131.08549	9.1
131.09517	0.6
133.09096	0.6
133.10110	11.2
135.08095	0.4
135.11676	13.0
137.09584	0.9
137.13240	3.0
139.11130	0.7
140.60509	0.3
143.08565	1.4
145.04970	0.4
145.10106	8.8
147.11670	8.5
149.09641	0.5
149.13240	7.8
151.14801	0.7
153.12650	0.7
155.08607	0.3
157.10095	1.4
159.11668	7.5
161.13254	7.3
162.13661	0.4
163.11151	0.4
163.14818	4.8
165.12701	0.8
169.10114	0.7
171.11679	2.1
173.13257	7.7
173.14693	0.6
175.14818	2.9
177.12737	0.6
177.16357	1.4
179.14308	0.8
181.15761	0.4
183.11650	0.5
185.13216	2.1
187.14799	3.5
189.16397	1.3
191.14301	0.3
193.15784	0.6
197.13281	0.5
199.14793	1.2
201.16347	1.5
203.17941	0.7
205.15878	0.5
213.16541	0.6
215.17970	1.0
217.19417	0.4
219.17393	0.4
229.19383	0.4
231.17509	0.3
231.21046	0.8
233.22586	0.6
239.17879	0.5
241.19577	3.3
243.21014	5.8
245.22440	0.6
257.18884	0.6
259.17978	0.6
259.20538	7.9
261.22119	16.4
263.19910	0.3
263.23676	1.8
273.22214	0.6
275.23648	0.4
277.21606	0.9
279.23257	0.8
281.21112	0.4
287.23560	0.5
291.23114	0.7
299.23624	1.1
301.21625	0.3
315.23190	0.7
317.24738	3.9
333.24188	4.5
335.25760	100.0
336.26102	3.4
337.27328	9.3
338.27466	0.5
341.28421	0.5
351.25311	0.4
353.27112	0.4
369.31390	0.4
386.37390	0.3
489.35718	0.3
497.31171	0.5
503.42474	0.8
517.38391	0.3
521.43378	2.0
529.38190	0.5
539.44391	1.1
543.40363	0.5
595.47107	14.0
596.47113	1.0
613.48218	9.4
614.48560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.8
57.07067	8.1
57.12011	0.6
58.06587	3.2
60.07907	0.7
60.08159	6.0
65.03931	7.3
67.05492	1.6
69.07034	1.0
70.06582	26.2
71.07351	2.6
71.08618	5.8
71.54517	1.0
72.08148	1.1
79.05463	1.3
81.03421	0.8
81.07034	2.0
85.54379	0.6
86.09698	25.3
88.07619	30.6
91.03931	0.7
91.05456	1.0
93.07023	1.5
93.96551	0.6
95.04938	1.1
95.08632	0.6
98.98444	3.2
101.13991	0.7
102.09166	19.4
104.10693	1.8
105.06990	0.7
107.08568	1.0
121.02839	2.5
124.99988	16.8
125.09554	0.8
131.04895	1.2
132.01958	0.6
137.05968	0.7
139.03894	3.2
142.01877	0.6
147.04356	2.0
149.02332	100.0
149.03400	6.7
150.02638	1.6
156.17462	1.0
175.03908	2.6
177.05478	1.9
183.22900	0.6
184.07323	88.2
191.07091	1.6
193.04938	48.9
194.05353	0.7
200.20074	82.2
219.06528	3.0
223.49365	0.6
237.07541	11.8
244.22725	2.2
297.03714	0.8
341.06403	4.2
347.13107	0.7
359.07507	1.9
376.75931	0.7
385.09018	7.4
429.11850	2.5
438.51401	0.7
533.10712	1.3
577.13257	6.6
578.13379	1.0
584.28076	1.1
621.16022	17.0
621.26251	1.1
622.16113	0.8
644.35449	2.3
734.61841	0.8
744.44354	3.5
776.32593	2.6
794.33545	80.8
795.33142	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	794.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	17.6
57.07055	7.5
61.02900	4.8
65.03936	3.8
67.05499	98.9
69.07066	35.6
69.86412	5.7
69.86829	7.4
71.04987	4.3
71.08617	4.0
79.05486	50.1
81.07049	98.0
83.04974	3.0
83.08618	19.4
85.02887	5.8
85.06520	2.8
86.72038	2.1
87.04450	3.4
91.03967	2.5
91.05466	29.6
93.07033	50.3
95.04956	4.2
95.08595	80.9
97.02925	2.8
97.06525	5.9
97.10161	9.5
98.20803	2.7
99.08076	2.9
105.07033	21.2
107.08579	28.4
109.10143	26.8
111.11692	3.5
111.29534	2.2
117.07003	4.3
119.08582	24.3
121.10141	26.0
123.11707	11.4
125.09648	2.7
131.08549	14.5
133.10118	17.8
135.11668	15.5
137.13202	6.1
145.10106	10.2
147.11673	11.3
149.13242	13.3
159.11678	5.5
161.13235	8.5
163.14827	8.0
164.50748	2.5
173.13194	5.7
175.14871	4.8
184.07304	2.8
187.14861	3.7
220.07025	2.1
241.19563	3.2
243.21054	9.9
259.20630	5.7
261.22147	25.4
263.23636	5.1
317.24765	5.3
333.24210	5.8
335.25769	94.1
336.26068	4.1
337.27335	100.0
338.27692	5.4
339.29028	4.3
421.79794	2.1
523.45416	3.0
541.45435	2.3
597.48724	33.3
598.49249	2.8
615.49835	23.2
828.50476	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	795.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54059	1.2
74.29564	0.7
78.29988	0.7
93.07023	0.8
112.87363	0.7
136.88556	0.7
166.91029	0.6
181.36794	0.7
184.07420	2.0
205.08752	0.7
306.43976	0.8
426.34323	0.8
572.10193	0.7
691.40234	1.0
709.83661	0.9
795.42780	100.0
796.43066	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	795.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.8
61.02916	4.8
67.05505	4.1
69.03432	3.3
69.07083	0.9
71.04974	1.5
71.53574	1.3
72.42428	0.6
73.02909	3.3
79.05483	3.6
81.03407	4.6
81.07054	4.7
83.04978	0.9
83.08639	1.2
85.02888	5.3
86.09710	0.7
91.03930	3.5
91.05471	4.0
93.07027	3.8
95.04953	1.5
95.08604	2.5
97.02870	3.5
99.04477	0.9
101.02386	0.9
105.06998	3.2
107.08623	3.0
109.02871	1.0
117.06993	1.4
117.83809	0.6
119.08601	2.2
121.10151	2.3
127.03928	0.9
131.08589	1.8
133.10187	2.1
135.08095	0.7
135.11702	1.0
147.11725	1.8
149.09602	0.8
156.19667	0.6
157.10081	0.9
161.13251	0.8
179.28860	0.6
184.07379	2.5
185.04324	0.7
193.12270	1.0
241.06747	0.6
243.08510	2.2
267.16022	1.1
283.15085	4.7
301.09000	1.0
334.79544	0.6
339.17917	0.8
469.20538	1.0
501.22992	11.3
535.28705	7.8
573.25311	1.7
623.34619	0.7
727.94690	0.9
795.44971	100.0
796.45264	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	797.516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
61.02921	6.1
66.43050	0.6
66.78791	0.5
67.05501	3.8
69.03427	3.4
69.07055	0.9
70.79226	0.9
70.79562	1.1
71.01360	0.5
73.02908	3.6
73.63103	0.5
79.05473	4.0
81.03418	1.0
81.07050	4.5
83.04991	0.7
83.08590	0.7
85.02901	5.4
91.03959	3.7
91.05480	1.6
93.07030	5.1
95.08604	4.6
97.02885	4.8
99.04452	0.8
101.02380	1.8
105.07040	1.3
107.08630	1.0
109.02895	0.8
109.10161	2.3
115.63751	0.6
119.08591	0.7
121.10169	1.2
127.03928	1.5
131.08580	1.2
133.10033	0.8
135.11725	1.5
145.10155	0.7
183.21455	0.6
184.07324	0.8
185.04260	0.8
243.08421	1.7
247.79463	0.7
335.25797	0.8
519.29254	14.2
797.51666	100.0
798.52130	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	798.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.7
58.06599	0.3
60.07872	0.4
60.08157	5.6
65.61105	0.2
67.05495	0.3
69.35477	0.7
69.35908	1.4
71.07364	3.4
81.07059	0.3
86.09697	29.6
87.10029	0.3
98.98454	3.5
104.10740	2.0
124.99992	20.0
163.17484	0.2
184.07321	100.0
185.07727	1.4
201.90770	0.2
208.05127	0.2
263.45627	0.2
273.07690	0.3
303.50058	0.2
780.55139	3.6
781.54492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76786	1.3
57.03427	8.9
58.25636	1.4
61.02913	3.1
65.03921	2.7
67.05499	24.9
68.03158	1.4
69.03428	22.5
69.07072	7.1
70.77898	4.3
71.01363	2.7
71.04980	10.1
73.02900	3.6
79.05484	26.0
81.03410	100.0
81.07046	30.7
83.04977	20.3
83.08605	19.1
85.02892	23.1
85.06542	2.2
87.04502	1.5
89.64390	1.4
91.03937	2.3
91.05467	32.3
93.07035	19.8
95.04959	27.7
95.08596	10.7
97.02886	22.3
97.06525	9.1
97.10164	6.1
99.04463	8.8
99.05005	1.5
99.08076	2.6
105.07016	20.4
107.04915	11.0
107.08582	10.1
109.02885	20.3
109.06523	6.9
109.10173	5.6
111.04415	9.6
111.08071	9.1
113.02365	1.6
113.06043	1.8
115.05421	2.8
116.24243	1.4
117.06998	4.1
119.08569	20.2
121.06483	3.2
121.10130	11.6
123.04435	4.4
123.08039	2.9
123.11716	3.8
125.09602	4.2
127.03909	22.0
128.06276	2.2
129.05475	6.7
129.06960	13.1
131.04938	2.8
131.08559	11.6
133.10126	12.1
135.08086	2.9
135.11685	3.6
137.09618	2.2
139.03932	2.9
142.07718	2.1
145.04974	2.8
145.06451	2.5
145.10132	3.9
147.04416	2.2
147.08018	4.2
147.11674	20.5
148.12030	1.7
149.09631	6.6
151.03867	2.5
151.11183	1.7
153.12685	2.8
155.08530	2.6
157.06473	2.0
157.10117	16.6
161.05962	1.8
163.11194	3.5
165.05528	1.7
165.12758	6.6
171.07983	1.9
173.04456	9.7
175.11174	16.2
177.12781	1.7
187.11203	2.4
191.10703	3.1
193.12213	43.4
194.12537	2.6
201.12704	1.4
211.13263	58.4
211.15268	3.1
212.13626	2.5
227.12775	4.1
229.14374	5.8
235.13173	1.6
249.14784	2.6
267.08994	3.4
267.15891	27.7
271.08041	1.5
273.15018	3.6
285.10181	7.4
285.16943	25.3
286.10275	2.0
295.15714	1.7
301.14276	5.9
313.16571	2.7
319.15262	4.2
324.11520	2.8
324.61636	2.3
337.16397	4.6
355.17496	4.4
367.22681	1.8
385.23892	3.1
393.19058	4.4
411.20026	6.1
429.21185	7.7
438.17984	3.3
438.68430	4.2
459.27344	15.9
477.28320	15.6
495.29388	13.4
585.30646	3.6
603.31091	5.5
604.31140	2.1
621.32654	10.1
632.80792	1.6
639.33698	16.0
640.34119	2.5
719.70514	1.8
747.35968	2.1
783.19269	1.8
783.37506	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	804.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.5
57.43458	0.8
59.05002	1.2
65.03919	3.1
66.59846	0.8
67.05497	51.9
69.03414	5.8
69.07060	13.7
69.36430	9.0
71.04990	5.3
79.05485	32.1
81.03408	66.1
81.07045	51.9
82.07349	1.0
83.04971	12.8
83.08610	13.9
85.02886	2.7
85.06549	4.9
90.18340	1.0
91.05468	55.5
92.13768	0.9
93.07031	33.8
93.07623	1.7
95.04955	27.6
95.08597	18.6
97.02879	3.3
97.06516	6.2
97.10132	4.4
99.04425	2.5
99.08088	1.5
103.05478	1.4
105.04567	1.0
105.07018	44.8
107.04947	9.8
107.08580	30.4
107.09290	2.0
109.06486	9.9
109.10144	42.0
111.04440	2.8
111.08062	7.9
111.56111	1.0
112.25050	0.9
113.05990	2.3
115.05434	1.5
117.07000	7.8
119.04922	1.9
119.08566	18.1
121.06495	8.6
121.10129	10.6
123.04420	1.4
123.08076	4.0
123.11681	7.1
125.09592	4.5
127.07571	2.6
128.06226	1.2
129.06992	11.3
131.08563	14.6
132.24255	0.9
133.06488	5.2
133.10117	56.5
135.08044	5.4
135.11646	4.6
137.09616	2.7
139.07520	1.5
142.07753	2.5
143.08568	5.3
145.06468	1.4
145.10126	6.3
147.08037	4.4
147.11673	7.9
149.09579	6.8
151.11171	28.8
155.08505	1.3
157.10101	8.9
159.08023	2.3
159.11703	2.8
161.09636	6.2
161.13258	2.3
163.07486	1.3
163.11166	4.0
165.09154	1.5
165.12770	1.2
169.10168	1.1
169.12140	4.7
171.11708	2.8
173.09602	2.6
173.13274	2.3
175.11188	9.1
175.14799	1.1
177.09065	1.3
179.10704	3.4
185.09489	1.6
185.13200	1.5
187.11188	1.5
189.12767	1.0
191.10660	1.1
193.12218	19.6
199.11098	1.4
203.14314	1.1
205.12227	2.2
207.13799	1.2
211.13252	1.9
215.12816	3.1
219.13617	1.1
227.12779	2.2
227.17969	1.7
245.19031	3.1
249.14861	1.8
251.12764	1.8
253.14328	100.0
254.14674	2.1
255.17505	1.7
263.20090	4.2
267.15887	62.2
268.16312	1.2
273.15451	1.1
273.18466	20.3
283.15543	1.4
287.19995	9.3
291.16519	0.9
291.19510	24.1
309.20645	2.4
313.21634	1.1
329.21158	1.3
338.61429	1.0
343.22699	1.9
347.22089	5.6
365.23221	32.6
389.23221	3.1
421.25723	2.6
445.25809	18.8
446.26016	1.2
447.28723	1.7
461.25552	1.4
463.26822	22.5
465.30139	4.7
483.30814	2.7
539.33557	15.6
557.34680	79.7
558.35126	3.2
575.35547	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	804.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	12.4
59.04997	1.2
65.03914	1.5
67.05495	32.4
67.05865	1.6
69.03418	8.6
69.07056	22.0
70.63982	2.2
71.04979	4.6
72.21236	0.8
72.86521	0.7
73.02908	0.8
73.71186	0.7
79.05486	29.1
81.03407	67.9
81.07046	27.7
83.04971	7.7
83.08607	18.9
85.02871	1.4
85.06522	1.9
91.05473	25.7
93.07029	18.3
95.01364	0.8
95.04957	23.1
95.08599	12.7
95.23834	0.8
97.02888	9.7
97.06528	3.9
97.10153	12.7
99.04472	1.4
103.05439	0.7
103.90186	0.7
105.03362	1.0
105.07018	20.2
107.04937	9.5
107.07865	0.8
107.08585	14.7
109.06509	6.1
109.10133	9.7
111.04465	1.5
111.08070	5.2
115.05424	2.5
117.07020	7.2
119.04946	1.7
119.08567	19.5
120.05724	0.8
121.06484	6.3
121.10124	10.7
123.04407	1.8
123.08044	4.2
123.11674	1.6
125.09611	9.9
128.06187	1.3
129.06987	9.3
131.08542	12.3
133.06467	5.9
133.10097	11.2
135.08035	3.5
135.11653	3.2
137.09602	3.4
141.07004	0.9
142.07730	2.5
143.08583	4.2
144.09337	0.8
145.06456	1.9
145.10112	6.6
147.08012	6.6
147.11641	6.0
149.02315	1.2
149.09608	4.7
149.13257	1.2
151.11172	3.1
153.09047	1.0
155.08495	0.8
157.06451	1.2
157.10103	10.0
159.11639	2.8
161.06049	0.8
161.09605	2.4
162.10410	0.9
163.11153	2.2
165.12706	1.3
169.10074	1.0
171.11697	1.5
173.13229	0.8
175.11174	8.4
177.12646	1.2
187.11139	0.8
189.09415	1.3
189.11177	5.9
193.04953	1.1
193.12218	14.1
193.13847	1.3
201.12682	0.8
205.12155	2.3
211.13304	1.9
219.13747	4.8
223.13255	16.9
227.12781	8.1
245.18990	1.2
247.05533	0.8
249.14784	4.4
253.14250	5.2
267.15881	81.2
268.16342	0.9
273.18457	11.5
291.19507	74.6
292.19995	2.0
313.21457	2.6
315.18933	0.9
329.99268	1.0
347.22137	1.7
365.23199	49.9
367.22614	1.3
385.23441	1.9
389.22897	1.0
445.25897	5.4
459.27170	5.4
463.26523	1.3
465.30020	1.7
477.28394	3.8
483.30753	1.8
539.33899	6.5
557.34674	100.0
558.35022	4.1
575.35126	2.1
576.18182	0.9
599.35376	0.8
679.49890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.4
59.98528	0.3
60.44524	0.3
69.03398	1.5
71.56480	0.5
71.56884	0.5
73.02908	0.5
81.03390	0.6
85.02895	3.1
87.81630	0.3
90.26349	0.3
97.02861	1.5
101.00820	0.4
109.02856	1.0
119.01906	1.0
120.95418	1.1
121.06236	0.3
127.03901	1.7
131.01866	1.0
135.04309	0.4
138.96419	0.8
143.01874	1.1
145.04933	0.9
148.72581	0.3
152.02437	0.4
155.01878	1.3
156.97453	3.8
161.02927	1.1
163.03889	1.5
173.02908	2.0
174.98517	6.2
179.03384	0.5
179.99181	0.5
180.00687	0.4
180.97398	8.6
182.99013	0.8
185.02995	2.2
188.03471	0.4
189.00676	0.4
194.99068	0.5
197.02876	0.8
198.00227	0.4
198.98511	100.0
199.98621	3.4
201.00078	1.1
203.04002	0.9
210.98505	3.5
211.98679	0.3
213.00079	1.8
215.03937	1.3
216.99570	42.7
217.99689	1.3
221.05099	0.5
222.00092	3.5
222.98503	1.9
225.00095	1.2
227.03995	0.4
228.99574	10.4
229.99690	0.4
234.98535	3.6
240.01276	1.5
240.99567	16.7
241.99651	0.6
243.01247	0.7
245.05046	5.1
247.00742	2.3
252.99548	2.6
259.00604	9.3
260.00925	0.5
261.03098	0.4
263.06177	0.7
264.99548	0.7
269.62122	0.4
271.00458	1.3
275.06009	0.6
277.01663	1.7
282.02139	1.1
283.00601	9.7
292.01233	0.8
292.97733	0.4
294.93152	0.7
295.02451	0.4
301.01657	32.2
302.01785	1.0
305.07059	0.5
318.93253	0.5
319.02722	8.5
320.02750	0.4
330.93039	0.4
333.05377	1.4
342.04309	1.5
343.02567	0.9
359.00568	0.4
373.03754	1.8
382.04355	2.4
382.54233	0.5
407.10590	0.5
414.08203	0.7
414.58301	0.4
441.15332	0.4
463.06949	64.4
463.57306	0.7
464.07159	4.3
481.08029	2.6
504.09537	1.0
652.59332	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	805.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	22.0
65.03923	8.4
67.05500	99.9
69.03419	6.2
69.07048	20.0
69.77505	6.6
69.77916	25.1
71.04991	7.3
79.05493	48.8
81.03373	9.4
81.07053	54.1
83.05012	7.0
83.08598	11.8
85.06525	12.7
86.09704	25.9
91.05472	39.5
93.07037	55.6
95.04951	55.3
95.08600	41.3
97.06514	9.1
98.20823	9.3
103.06557	4.7
105.07021	26.7
107.04928	7.4
107.08594	32.8
109.06495	45.1
109.10152	18.8
111.08071	7.1
113.05996	21.6
113.09640	4.5
115.05440	5.4
117.07015	19.6
119.08538	23.4
121.06516	5.7
121.10105	12.6
123.08051	7.5
124.99964	23.3
127.54543	4.6
129.06958	5.2
131.08534	20.2
133.10101	14.9
134.51460	4.9
135.08035	45.8
135.11650	8.3
143.08510	7.1
145.10121	17.7
147.08022	7.5
147.11668	7.3
149.13242	5.7
159.08075	5.5
159.11674	7.1
161.09579	10.8
163.11128	7.5
171.11662	5.4
175.14882	6.9
177.12813	5.8
184.05774	7.9
184.07333	95.4
185.07745	10.5
189.62599	4.7
217.15901	13.4
227.12714	8.6
243.29793	5.5
259.79047	5.2
273.18518	46.0
284.44131	5.5
291.19504	100.0
313.47168	4.6
335.25732	51.9
347.22125	10.0
359.55603	4.9
365.23343	22.2
492.37720	7.0
549.96484	4.8
569.91669	4.9
607.43524	8.3
614.48389	12.9
625.44684	61.2
626.44269	6.6
654.38885	6.3
655.41150	21.1
765.46979	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
57.07067	11.6
58.06585	3.3
65.03934	8.8
67.05499	5.2
67.36018	0.9
69.03421	1.8
69.07059	1.4
70.06194	1.3
70.06585	24.8
71.04985	1.0
71.08620	3.8
73.45281	0.9
79.05476	2.7
81.03415	2.1
81.07056	4.5
83.08588	1.8
85.10155	1.6
88.07619	29.0
91.05470	2.3
93.07050	2.3
95.04943	1.4
97.02910	0.9
102.09162	21.6
105.03324	1.0
105.07021	1.3
107.08567	2.2
109.10169	2.2
117.07034	1.2
119.08566	1.2
121.02876	2.4
137.09715	1.0
139.03902	3.9
143.82768	0.9
147.04367	1.3
149.02332	100.0
149.03406	8.3
150.02658	1.8
157.10262	1.1
177.05431	2.1
184.07367	2.1
191.06955	1.1
193.04948	43.1
194.05241	1.1
212.23782	1.1
219.06583	1.4
256.26318	65.9
257.26648	1.6
267.15884	1.7
297.04117	1.2
313.07166	2.1
341.06451	4.1
359.07535	2.1
385.09076	8.8
533.11182	1.9
559.36670	1.4
577.13342	25.8
578.13586	1.7
788.36102	1.5
806.37354	83.1
807.37463	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	806.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	22.0
59.04986	7.0
61.02898	5.6
64.34261	1.8
65.03933	5.8
67.05495	100.0
69.03412	8.4
69.07061	19.9
69.24491	23.6
69.81707	1.8
71.01343	3.0
71.04981	11.3
71.26213	2.0
73.02897	4.2
79.05482	48.0
81.03406	73.4
81.07043	61.3
82.33023	2.0
83.04971	26.0
83.08610	29.8
85.02888	37.1
85.06522	4.5
87.04414	2.5
91.03925	3.5
91.05469	53.9
93.07033	39.5
95.04960	34.7
95.08595	28.3
97.02866	7.7
97.06511	8.7
97.10163	16.8
98.21544	3.9
99.04408	2.7
99.08089	3.4
105.06361	3.4
105.07014	37.4
106.07336	3.3
107.04929	12.7
107.08574	23.1
109.06477	9.7
109.09435	3.9
109.10140	61.8
109.52707	2.3
111.04413	4.9
111.08079	15.0
113.05950	4.3
115.05444	2.9
117.06969	6.1
119.08564	27.3
121.06490	4.5
121.10123	15.0
123.08053	4.2
123.11712	2.5
125.09612	16.8
127.07609	2.4
129.05431	2.9
129.06979	13.0
131.08533	19.0
133.06496	4.4
133.10120	23.1
135.08029	3.0
135.11662	7.9
137.09593	3.9
139.07460	2.5
142.07759	3.3
145.10083	8.5
147.08046	5.1
147.11655	16.9
149.02261	2.3
149.09579	8.0
149.47960	2.1
151.11124	2.3
155.10583	4.4
157.10101	20.7
159.11697	2.7
163.11145	11.9
165.12715	4.6
173.11690	14.0
175.11197	16.4
181.12199	3.1
184.07323	2.6
191.10695	3.1
193.04971	3.4
193.12221	59.3
199.13211	5.7
209.11705	7.3
211.13264	76.6
216.01324	1.9
219.97989	1.9
227.12750	5.6
229.12045	2.8
229.14317	51.1
253.14238	2.2
267.15860	30.1
269.17410	3.9
269.48364	1.9
283.15277	4.8
285.16968	53.7
291.19568	2.4
293.20984	2.9
301.16296	10.6
365.22830	1.9
399.23685	17.5
409.25415	3.3
421.25946	12.9
439.26852	40.9
493.27933	2.5
511.28934	6.4
544.42078	2.0
559.35486	6.4
591.34735	2.7
609.36279	35.8
639.48334	2.2
769.22498	2.1
807.39166	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	806.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	15.1
65.03922	6.4
67.05169	3.5
67.05502	65.6
69.03414	8.3
69.07066	27.7
71.04977	19.2
79.05483	51.9
81.03416	61.6
81.07052	79.3
83.04964	19.7
83.08601	24.5
83.72957	3.5
85.02878	20.7
85.06524	5.8
89.96439	3.2
91.05477	62.5
93.07038	58.8
94.85108	2.9
95.04962	28.2
95.08591	35.0
97.02873	9.1
97.06537	17.1
97.10152	7.4
105.07021	41.1
107.04936	15.0
107.08579	41.0
109.06463	10.5
109.10141	10.1
111.04411	5.5
111.08051	11.6
113.05965	4.9
117.06989	8.9
119.08585	40.5
121.06491	9.3
121.10166	20.0
123.08067	3.8
123.11729	5.0
125.09631	4.7
129.05505	4.2
129.06970	12.3
131.08557	26.9
133.06474	4.3
133.10127	22.1
135.08002	5.8
135.11688	7.2
140.70883	3.3
141.27687	3.5
143.08481	4.0
145.10106	9.3
147.08031	3.9
147.11705	20.8
149.09613	17.6
149.13237	9.8
151.09830	3.4
151.11095	5.1
157.10103	14.1
159.11678	12.9
163.11230	6.8
173.13269	4.8
175.11147	10.8
177.12740	4.7
183.11630	3.7
184.07353	4.4
193.12260	36.8
211.13234	31.2
227.12782	10.3
229.14430	6.1
239.18060	3.6
257.19000	5.5
267.15891	27.8
269.17459	11.5
275.20096	21.5
285.17010	41.8
339.17990	4.1
349.23694	9.6
413.21570	10.9
439.26727	13.1
461.28860	38.4
463.10104	7.9
479.30023	100.0
480.30365	5.9
541.34772	11.7
559.36377	30.3
591.38593	13.3
605.32300	5.5
623.33868	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	806.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03170	1.9
57.03431	16.9
57.03702	1.9
57.07063	1.7
59.04998	1.5
61.02907	1.4
65.03935	2.8
65.15648	1.0
67.05498	47.4
67.06913	1.0
69.03413	6.4
69.07060	18.2
70.78627	2.1
70.78954	1.6
71.01338	1.2
71.04974	5.7
77.79494	1.3
79.05482	42.4
80.88084	1.2
81.03409	77.1
81.07047	61.9
82.03792	1.6
83.04975	11.3
83.08610	25.3
85.02892	3.0
85.06533	4.4
91.05469	39.3
93.07033	44.7
93.07619	2.4
95.04961	30.5
95.08594	20.1
97.02877	3.2
97.06506	9.8
97.10156	8.8
99.08061	3.3
103.05447	1.1
105.07018	30.9
107.04949	9.4
107.08572	26.6
109.06487	7.1
109.10144	11.2
111.04436	2.3
111.08064	9.3
113.09538	1.2
114.83951	1.1
115.05437	2.5
117.07011	12.4
119.04957	1.5
119.07790	1.6
119.08574	21.9
121.06487	7.0
121.10131	17.3
123.04411	1.3
123.08051	3.9
123.11678	3.7
125.09639	7.8
127.03920	1.5
128.06247	1.5
129.06996	12.1
131.04918	1.4
131.08554	22.4
133.06485	4.0
133.10112	20.4
134.10432	1.5
135.08049	5.0
135.11653	11.1
137.09619	5.0
141.06989	2.4
142.07747	2.1
143.08548	4.5
145.06499	2.3
145.10103	12.0
147.08022	6.4
147.11674	9.5
149.09579	8.4
149.13246	10.1
151.11145	2.0
155.08522	2.0
157.10109	13.0
159.07967	1.4
159.11678	8.2
161.09610	1.4
161.13203	2.1
163.11179	6.6
165.12738	2.7
167.08514	1.1
169.10144	2.8
171.08061	1.5
171.11656	2.9
173.13307	3.5
175.11137	7.9
177.12785	3.3
179.14240	1.2
183.11668	1.4
185.13222	1.8
187.11174	2.0
189.11253	2.6
193.12216	15.6
195.11685	1.2
195.13864	3.7
197.13316	1.3
211.13260	2.6
213.12749	1.5
217.15820	2.2
227.12663	5.8
239.17957	1.3
249.14804	3.3
251.16379	1.4
253.14284	1.7
255.15834	12.4
257.18976	2.1
267.15887	65.2
268.16171	2.4
269.17444	29.7
270.17816	1.4
273.18604	1.6
275.20062	12.6
285.16943	1.3
291.19232	1.1
298.24417	1.1
349.23688	11.0
351.23474	1.7
367.24802	3.2
369.24118	3.3
387.24957	2.2
421.25882	2.7
435.27670	2.8
439.25937	1.2
443.27805	10.3
447.27402	16.9
448.27557	1.7
449.30359	2.5
461.28937	100.0
462.29175	6.1
467.31522	2.2
493.31601	8.6
501.32269	1.7
523.34174	2.4
541.35229	24.8
542.35883	2.3
559.36365	10.5
573.37054	1.5
587.31860	2.0
605.32495	1.2
659.38361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03171	1.7
57.03434	17.7
57.07061	1.4
59.04976	1.4
61.02903	2.0
62.20779	1.4
65.03952	3.8
67.05497	58.2
67.05860	2.8
69.03425	8.4
69.06708	1.9
69.07061	24.7
71.04987	8.3
79.05484	51.3
81.03407	80.6
81.06564	2.8
81.07047	57.7
83.04959	12.1
83.08607	23.8
85.02887	3.5
85.06542	4.0
91.05468	52.0
93.07031	48.2
95.04960	33.9
95.08598	26.3
97.02867	6.5
97.06520	14.8
97.10149	12.9
98.20776	3.4
99.04441	1.3
99.08073	3.8
103.05474	1.7
105.07015	37.9
107.04941	13.2
107.08582	32.9
109.02890	2.3
109.06504	9.9
109.10139	14.3
111.04451	2.3
111.08079	9.5
113.06014	1.9
115.05452	3.5
117.07010	13.1
119.04923	2.6
119.08575	31.0
119.37640	1.2
121.06482	8.6
121.10123	15.7
123.08054	4.6
123.11699	3.9
125.09635	9.4
129.05515	1.6
129.06992	15.5
131.08551	23.4
133.06485	5.7
133.10124	18.5
135.08046	6.5
135.11681	13.3
137.05946	1.5
137.09604	3.2
141.06938	2.4
142.07764	4.4
143.08566	6.8
145.06490	3.7
145.10086	15.1
147.07990	6.7
147.11655	15.5
149.09613	13.9
149.13257	9.7
151.11186	3.5
155.08461	2.7
157.10103	15.4
159.07999	2.5
159.11673	11.0
161.09598	3.9
161.13237	3.3
163.11180	9.3
165.12689	2.8
169.10078	5.7
171.08003	1.4
171.11714	3.4
173.04427	1.8
173.09605	4.3
173.11835	2.1
173.13278	4.8
175.11157	10.1
177.12753	4.9
181.10185	1.3
181.12276	2.0
183.11618	3.0
185.13210	3.2
187.11249	1.5
189.11214	5.2
189.12698	1.8
191.10733	1.6
193.12212	21.9
195.11728	1.8
195.13803	3.4
197.13145	1.9
199.14813	2.0
211.13214	4.0
211.14970	1.6
217.15848	3.3
221.13225	1.4
223.13141	1.7
227.12706	9.5
229.14240	2.4
233.15474	1.5
245.13672	1.8
247.20555	2.3
249.14877	3.1
253.14359	2.0
255.15854	15.1
257.19067	3.0
267.15900	84.2
269.17450	27.9
273.14783	1.8
273.18484	2.9
275.20032	20.3
282.80487	1.6
291.19577	1.9
293.21097	1.7
299.19858	1.9
301.14304	1.6
309.16913	1.7
349.23740	17.6
351.23047	2.0
365.23196	2.0
367.24915	3.7
369.24030	3.2
387.25262	3.0
405.26556	1.4
411.19904	1.3
421.25854	3.5
431.29251	1.5
435.27206	3.9
437.29190	1.6
443.28027	11.7
447.27307	28.8
449.30527	3.1
461.28955	100.0
462.29654	2.8
467.31552	3.2
475.30954	1.6
493.31708	11.4
494.31195	1.3
501.31812	3.2
503.30194	1.3
515.51227	1.4
541.35266	42.7
542.35217	2.7
559.36328	18.5
569.31311	2.4
591.58563	1.5
714.01611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.2
59.96369	1.3
60.57022	1.4
67.05497	29.1
69.07065	13.6
70.78901	2.4
79.05483	24.5
81.03425	3.7
81.07045	40.6
83.04987	1.5
83.08627	3.7
91.05467	22.6
93.07036	24.3
95.01316	2.7
95.04967	4.9
95.08593	23.5
97.06504	6.9
97.10139	2.3
105.07019	30.8
107.04956	7.5
107.08582	10.8
109.06519	3.5
109.10134	6.6
111.08070	2.7
114.94498	1.3
117.07014	4.8
119.08562	18.8
121.06516	1.4
121.10120	8.5
123.07938	1.6
131.08528	10.2
133.10114	16.5
135.08038	2.5
135.11682	5.4
145.10100	8.2
147.11682	5.9
149.09601	2.6
149.13264	3.8
157.10097	1.7
159.11676	6.0
161.13269	3.9
163.11118	1.6
171.11780	1.7
173.13258	2.6
177.12740	1.6
179.14323	4.8
184.07306	2.8
185.07466	1.6
186.47238	1.4
219.17393	9.6
247.20549	1.8
275.20016	31.3
335.25766	63.2
336.26129	3.1
349.23627	15.6
392.12213	1.5
567.15448	1.4
602.15668	1.6
609.45032	100.0
610.45465	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	808.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	16.9
61.86998	6.8
67.05503	100.0
69.07066	22.7
69.23257	85.5
74.00713	8.4
76.03117	6.7
79.05488	78.1
81.07043	96.6
81.62578	8.3
83.08608	12.6
91.05473	84.5
93.07034	89.1
95.04970	12.6
95.08598	85.1
97.06530	7.3
105.07021	68.1
107.08586	51.1
109.10146	25.9
117.07008	20.9
119.08575	60.4
121.10136	35.2
129.06985	13.0
131.08553	39.3
133.10129	49.9
135.11673	29.8
143.08562	8.3
145.10098	18.3
147.11665	43.6
149.13248	15.8
155.08429	7.3
157.10130	10.6
159.11703	24.1
161.13223	27.0
173.13206	16.5
175.14854	10.7
184.07356	13.2
199.14822	8.8
224.50217	8.1
241.19514	25.8
257.19208	10.9
258.20428	8.3
259.20535	72.4
333.24167	50.6
335.25797	82.6
466.55551	8.5
516.28143	8.2
538.12848	9.4
593.45496	14.3
611.46350	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.0
59.04998	0.8
61.02914	4.8
65.03941	0.7
67.05490	5.5
69.03408	3.7
69.07066	2.5
71.01329	0.6
71.04986	2.1
71.53965	1.2
73.02898	4.1
79.05486	5.4
81.03410	6.3
81.07047	5.1
83.04989	0.9
83.08607	1.9
85.02894	4.6
87.04453	0.9
91.03957	2.9
91.05464	4.8
93.07027	4.6
95.04942	1.8
95.08591	1.8
97.02856	3.9
97.06521	1.0
97.10182	2.2
99.04498	0.8
101.02366	1.7
105.07024	2.7
107.04961	1.0
107.08600	2.7
109.02871	1.0
109.10157	1.8
117.06998	0.9
119.08565	2.0
121.10146	2.6
123.08025	0.7
125.09623	0.9
127.03899	1.1
129.06989	1.3
129.13644	0.7
131.08571	2.0
133.10101	1.2
142.07851	0.7
147.08031	0.9
147.11664	1.4
148.10461	0.6
149.09639	2.1
175.11153	1.1
184.07410	1.7
193.12265	1.2
193.91928	0.7
196.18004	0.7
212.13734	0.7
223.13353	2.4
243.08424	5.1
267.15948	1.3
283.15045	3.5
291.19586	1.5
331.18918	2.2
339.17889	0.9
375.01132	0.7
387.21600	1.1
501.23041	13.4
549.26624	7.3
809.42780	100.0
810.43396	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	809.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	2.0
61.02917	6.0
61.60439	0.7
63.30753	0.7
65.64077	0.8
67.05496	5.9
67.21642	0.7
69.03424	3.0
69.07061	2.1
71.04988	1.9
71.10509	2.3
73.02903	3.2
73.25089	0.7
79.05473	4.3
81.03403	5.5
81.07061	5.9
83.04931	1.2
83.08593	1.0
85.02895	4.8
87.04469	1.0
91.03953	2.2
91.05478	6.8
93.07029	4.1
95.04968	2.7
95.08620	3.8
97.02882	5.2
98.94485	0.8
99.04443	1.2
101.02375	1.4
105.07011	4.0
105.25057	0.8
107.04981	0.9
107.08588	3.3
109.06523	2.0
109.10206	1.5
109.90028	0.8
119.08598	3.4
121.10126	2.1
127.03894	1.4
131.08585	2.7
133.10141	3.5
135.80702	0.8
147.11647	1.9
149.09604	2.2
151.11163	1.2
175.11211	1.0
184.07387	1.4
193.12308	3.0
225.14870	1.4
243.08345	4.1
262.49091	0.8
283.15228	3.6
331.18820	2.7
339.17609	1.5
451.19757	1.4
501.23004	14.1
531.25592	2.5
549.26532	5.1
573.25238	2.0
711.35602	3.1
791.41864	11.7
792.40381	1.0
809.42737	100.0
810.43292	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	810.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48825	0.7
57.03418	6.0
57.07068	2.0
61.02921	11.1
65.03928	1.3
67.05164	1.3
67.05495	18.1
69.03421	19.7
69.07069	7.4
69.47332	6.1
71.04976	3.3
73.00953	0.7
73.02917	3.6
79.05481	10.5
81.03403	9.4
81.07046	25.0
83.01347	0.9
83.04964	1.1
83.08607	5.1
85.02892	100.0
85.06519	1.2
86.03220	1.3
87.04455	1.9
91.03957	3.7
91.05466	10.9
93.07029	28.0
95.04961	4.5
95.08594	48.4
97.02878	29.1
97.03506	1.5
97.06511	4.7
97.10159	2.5
99.04435	6.8
101.02341	1.1
103.03886	0.9
103.05540	0.8
105.07012	25.7
107.08577	30.0
107.65548	0.7
109.02876	8.4
109.06500	3.3
109.10142	42.5
110.10465	0.9
111.04456	1.1
111.08068	4.5
113.06017	2.6
115.03925	1.4
115.05450	1.0
117.06995	6.5
119.08567	30.8
121.06486	4.6
121.10124	25.6
123.08051	8.8
123.11694	9.7
125.09614	2.0
127.03902	24.6
127.07574	1.3
128.06297	0.8
129.07001	3.3
131.08559	15.0
133.06473	1.8
133.10110	20.6
133.11084	1.4
135.08032	4.6
135.11678	15.9
137.09605	8.7
137.13240	3.1
139.07536	2.6
139.11172	1.3
141.09093	5.4
142.07806	1.6
143.08534	7.1
144.09317	2.1
145.04941	30.0
145.10095	17.9
147.07980	4.4
147.11667	19.8
149.09599	3.4
149.13232	7.2
151.11185	1.8
153.09067	4.2
155.08595	2.3
155.10632	7.1
156.09334	1.6
157.10094	9.7
159.08060	2.9
159.11661	21.5
161.09583	6.2
161.13229	13.2
163.06018	11.0
163.07391	1.4
163.11140	3.4
163.14824	2.8
165.09126	3.3
167.10637	2.1
169.10110	4.6
170.10767	0.9
171.11716	7.6
172.12572	0.8
173.09593	3.6
173.13228	15.3
175.11111	5.0
175.14783	9.0
177.09100	1.5
177.12743	2.1
177.16420	2.5
179.10683	2.4
180.08691	2.2
181.10182	2.0
181.12215	4.6
183.11667	4.7
184.07292	1.1
184.81047	0.7
185.09691	2.1
185.13190	6.6
187.11201	4.7
187.14803	9.1
189.12726	3.7
189.16374	3.1
191.10655	1.6
191.14323	2.7
193.12292	2.6
195.11668	2.2
195.13835	2.6
197.13199	4.6
199.11183	2.2
199.14795	6.2
201.12663	4.2
201.16287	6.5
203.10587	1.1
203.14320	2.5
203.17926	2.0
205.12267	2.6
205.15912	2.9
207.11983	1.3
207.13673	4.2
209.13187	2.0
209.15373	3.0
210.82166	0.7
211.14832	3.3
213.12747	1.8
213.16302	3.6
215.14346	4.6
215.17943	3.2
217.12228	1.7
217.15900	2.4
219.13756	3.7
221.13332	1.2
221.15320	6.1
223.14813	2.0
223.16946	2.6
225.12888	0.8
225.16441	2.1
227.14293	1.8
227.18024	2.4
229.15891	3.0
231.13847	1.7
231.17476	1.7
233.15343	10.2
235.14684	1.3
235.16876	7.2
237.16397	1.1
239.17921	1.7
241.15871	1.7
241.19525	1.1
243.17516	3.7
247.16914	14.7
249.16280	1.1
249.18509	3.8
251.17912	2.0
253.15770	0.8
255.17401	1.9
259.16946	3.1
261.18463	18.0
263.17917	1.3
265.19516	1.2
267.17459	1.0
273.18335	4.3
275.20081	4.1
281.18927	1.5
283.20535	1.1
285.18509	1.8
287.20096	3.8
289.21634	1.5
291.21252	1.0
293.22552	1.7
295.20380	1.2
297.22241	0.9
299.20139	1.6
301.21729	3.4
307.20331	0.9
309.22168	2.9
309.25919	1.3
311.20309	0.9
311.23706	1.7
313.21652	1.9
315.23099	5.6
323.23663	1.1
325.11237	2.2
325.21558	1.2
327.23099	6.5
329.24646	8.4
337.25278	1.8
339.23154	1.4
341.24670	2.0
342.14026	2.7
351.23419	0.9
353.24957	1.7
355.26288	4.1
357.27808	1.1
367.26672	1.4
387.30167	0.7
391.26013	1.3
395.29672	1.1
405.31448	7.0
413.26978	1.1
415.29913	5.3
423.32523	13.5
424.33041	1.1
433.30997	25.9
434.31320	1.6
451.31998	27.0
452.32556	1.5
469.33087	29.0
470.33844	1.8
701.14850	0.8
716.51685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58101	0.4
57.03431	1.8
61.02921	4.4
65.03943	0.6
66.66114	0.4
67.05502	5.0
69.03423	3.3
69.07072	1.6
71.01337	0.9
71.04995	2.3
72.93806	0.7
73.02915	3.9
73.35792	0.5
79.05489	6.2
81.03405	5.3
81.07034	6.2
83.04984	1.4
83.08618	1.2
85.02896	4.6
85.06587	0.5
86.09717	0.5
87.04453	0.6
91.03959	2.1
91.05476	5.3
93.07027	4.8
95.04961	2.3
95.08600	3.0
97.02897	4.9
97.06518	0.6
98.20667	0.7
99.04449	0.9
101.02386	2.1
101.78258	0.5
105.07027	3.8
107.04961	0.5
107.08584	2.4
109.06520	0.6
109.10158	0.8
111.08066	0.8
115.05452	0.5
117.07000	0.9
119.08596	2.1
121.10169	1.7
123.08096	0.8
127.03923	1.5
129.07018	1.7
131.08589	2.2
133.10150	1.7
135.11739	1.3
143.08591	0.5
145.05003	0.5
145.10117	0.7
147.11694	2.0
149.02406	0.7
149.09615	1.6
154.75714	0.5
157.10132	1.0
159.11691	0.6
161.13332	0.5
184.07355	2.9
185.04274	0.6
193.12244	0.9
225.14993	0.8
229.68718	0.5
241.98244	0.5
243.08379	2.9
267.06769	0.7
267.16061	0.5
281.17520	0.9
283.06335	1.8
283.15231	3.3
285.07727	0.7
303.19620	0.7
333.20535	1.9
339.17709	0.8
347.59985	0.5
389.23102	0.5
439.19669	1.4
441.21246	0.7
453.21033	1.2
469.20471	1.5
485.15048	0.6
501.23001	11.0
551.28235	8.6
713.36877	0.5
721.36462	0.6
725.92163	0.6
811.44397	100.0
812.44714	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	812.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.6
61.02927	8.8
67.05493	8.5
69.03065	1.9
69.03419	19.8
69.07051	4.6
71.04982	2.6
73.02907	4.1
79.05476	7.9
81.03418	8.8
81.07053	16.9
83.08630	2.4
85.02895	100.0
86.09698	2.5
87.04478	1.5
91.03947	5.4
91.05466	7.5
92.61168	1.5
93.07034	14.3
95.04966	1.7
95.08594	25.9
97.02882	25.7
97.06510	1.9
97.10155	2.0
98.20784	3.8
99.04453	3.1
103.07217	1.4
105.07005	12.1
107.08572	15.9
109.02887	8.6
109.06530	1.5
109.10144	19.4
111.08033	1.9
113.05979	1.5
117.06991	1.5
119.08566	18.5
121.10140	18.0
123.08044	3.6
123.11726	7.1
124.99986	1.8
127.03895	27.5
131.08557	4.2
133.10121	13.8
135.08049	2.2
135.11647	8.7
136.68428	1.3
139.11201	1.5
145.04944	40.8
145.10109	4.1
147.08002	2.9
147.11623	9.0
149.09647	2.3
149.13222	3.7
153.09047	2.6
157.10129	3.0
159.11687	6.1
161.09569	5.2
161.13240	14.4
163.06012	13.4
163.11136	3.1
163.14890	2.9
171.11694	1.6
173.13249	4.3
175.11154	5.6
175.14772	5.1
177.16278	1.9
180.08714	2.3
181.12270	3.5
184.07254	6.5
185.13203	2.2
187.14803	3.7
189.12703	1.5
189.16382	6.0
192.98161	1.3
197.13258	2.4
199.14815	3.0
201.12662	1.5
201.16296	3.6
203.14244	2.5
203.18005	2.8
205.15892	2.2
209.15346	3.6
212.77667	1.4
213.16364	2.2
215.18109	1.4
217.15878	3.5
221.15341	8.0
223.16945	2.6
229.15854	2.2
231.17357	2.2
235.16933	12.7
247.16891	6.6
249.18459	6.8
261.18286	2.0
271.42419	1.6
325.11374	3.8
329.24664	3.5
342.13983	2.3
343.26392	10.2
355.26401	3.4
397.31009	2.3
407.32932	4.2
417.31409	2.1
425.34091	8.5
435.32523	18.3
453.33505	18.2
454.33325	2.0
471.34711	20.0
502.23422	1.4
654.27435	1.4
726.36639	2.2
812.44263	8.9
825.79834	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	814.558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06340	0.2
58.06600	0.4
60.08157	6.5
66.31503	0.2
67.05497	0.4
69.21158	0.5
69.21570	2.3
71.07362	3.6
81.07034	0.2
86.09695	32.1
87.10004	0.3
93.07050	0.3
95.08667	0.2
98.98456	4.2
104.10736	2.8
124.99989	22.3
143.01030	0.4
166.02695	0.3
184.07318	100.0
185.07655	1.0
245.50873	0.2
247.10043	0.2
278.56665	0.2
352.83392	0.2
371.30771	0.2
714.46857	1.2
795.71283	0.3
796.53717	0.6
814.55798	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	820.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	10.7
57.07057	4.0
65.03930	4.4
67.05497	79.1
69.03417	10.0
69.07059	24.8
71.04984	2.1
71.54028	2.0
71.54401	2.1
74.35881	1.8
79.05484	75.6
81.03416	2.0
81.07048	75.2
83.04955	7.5
83.08611	42.7
84.55182	1.9
85.02888	4.0
85.06522	3.4
86.09699	2.7
91.05473	72.7
93.07033	63.4
95.04935	9.3
95.08593	44.3
97.06509	2.6
97.10159	81.9
103.05449	2.9
105.04529	2.0
105.07013	22.5
107.04918	5.7
107.08587	49.9
109.06502	3.0
109.10148	24.4
111.08053	4.5
115.05441	6.1
117.07003	35.7
119.08568	81.3
121.06483	3.1
121.10142	16.2
123.08072	2.1
123.11688	3.4
124.99976	3.0
125.09618	66.4
128.06206	2.8
129.06998	5.4
131.08543	15.2
133.06375	2.5
133.10109	13.4
135.08026	18.5
135.11673	11.7
143.08527	7.5
145.06474	32.1
145.10127	9.5
147.08047	5.8
147.11664	5.2
149.13257	8.7
153.09071	5.2
155.08549	4.8
157.10136	7.0
159.08015	12.6
159.11653	5.4
161.09639	3.8
161.13239	4.1
161.87785	1.9
163.07520	3.2
163.14807	3.2
169.10031	3.9
171.10162	3.4
173.09601	5.2
173.13255	4.2
183.11688	2.3
184.07318	7.5
185.13232	2.1
187.14839	4.9
189.11201	49.2
189.12894	2.7
197.13304	2.7
199.14775	1.9
225.16386	2.7
227.12762	100.0
228.13034	2.1
243.17429	3.7
243.21118	5.4
245.13745	2.6
253.16042	4.5
261.22113	26.6
267.45740	2.2
271.16913	62.3
272.17194	2.8
289.17947	22.6
317.24725	5.2
327.19476	2.4
335.25775	77.6
336.26172	2.9
345.20572	21.0
363.21619	25.4
424.05911	2.3
463.50980	2.2
483.64160	2.2
487.33957	6.5
505.35251	52.1
506.35342	3.8
605.41962	39.8
623.42950	92.1
624.42975	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	820.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
57.03657	1.2
57.07046	1.4
59.04984	2.2
60.00943	1.2
61.02896	1.5
65.03919	2.3
67.05497	40.6
69.03411	5.8
69.07055	14.3
69.19683	1.2
71.04964	2.3
74.25438	1.2
79.05062	1.9
79.05485	35.0
81.07043	36.2
83.04966	6.7
83.08138	1.6
83.08612	25.2
85.06486	1.2
91.05470	37.5
93.07027	28.0
95.04932	3.8
95.08601	19.5
97.06512	2.0
97.10156	56.3
101.09624	1.7
103.05429	1.6
105.07006	13.2
107.04935	2.7
107.08582	30.4
109.06489	1.8
109.10136	14.0
111.08074	2.8
115.05428	5.8
117.06999	26.6
119.08566	60.8
120.08936	1.2
121.06477	2.6
121.10114	7.0
123.11670	2.2
125.09611	51.6
128.06209	2.1
129.06970	3.0
131.08554	8.3
133.10109	5.4
135.08047	8.0
135.11664	6.3
142.51419	1.3
143.08537	5.4
143.10635	2.7
145.06453	23.4
145.10062	6.9
147.08052	3.1
147.11658	3.3
149.13202	3.6
153.09082	4.3
155.08521	3.4
157.10104	4.0
159.08011	6.9
159.11684	5.6
161.09618	2.8
161.13266	2.4
163.07553	2.8
163.14833	1.8
169.10109	2.3
171.07935	1.5
171.10161	2.7
173.09546	3.0
173.13263	3.1
183.11630	2.0
184.07336	4.0
185.09473	1.8
187.14754	1.8
189.11191	38.4
199.14742	1.4
225.16351	2.7
227.12752	100.0
228.13068	1.6
243.17413	3.6
243.21033	3.7
245.13509	1.6
253.15851	2.7
258.24362	1.3
261.18234	1.5
261.19528	1.4
261.22137	12.2
271.16891	61.1
272.17148	1.8
289.17935	15.5
307.18896	1.4
335.25748	30.5
345.20529	11.8
363.21594	19.8
431.31464	1.4
487.33908	5.7
505.35056	12.4
526.47992	1.7
605.42047	20.9
623.42981	48.3
624.43158	3.8
832.42401	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	822.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	23.1
57.07056	4.3
61.02915	8.2
67.05494	68.2
69.03422	11.4
69.07053	43.7
71.04985	23.9
71.11078	9.2
73.02895	6.3
79.05487	69.9
81.03407	100.0
81.07046	68.1
83.04977	11.5
83.08611	28.4
85.02880	8.5
85.06522	8.0
91.05469	63.9
93.07032	53.3
93.81340	4.0
95.04951	45.5
95.08599	29.3
97.02885	8.6
97.06522	62.0
97.10165	12.6
105.07028	49.6
107.04940	19.9
107.08579	37.9
109.06512	20.6
109.10149	16.3
111.04464	7.0
111.08067	16.7
113.06005	4.6
115.07557	15.2
117.07007	19.1
119.08578	39.2
121.06498	14.9
121.10160	24.6
123.08053	14.6
123.11650	7.4
123.78414	3.8
125.09618	12.9
127.03912	7.6
128.06201	3.9
129.07002	22.3
131.08554	32.8
133.06447	5.9
133.10080	28.1
135.08049	14.7
135.11690	13.8
142.07861	4.4
143.08534	7.1
145.06377	4.2
145.10103	16.4
147.08031	12.3
147.11671	16.0
149.09613	12.2
149.13249	12.6
151.11183	4.6
155.08553	6.2
157.10092	18.2
159.08080	6.6
159.11623	8.1
161.09578	10.8
161.13249	4.0
163.11205	8.9
169.10042	6.0
171.11771	4.4
173.09631	7.0
175.11127	11.3
177.12726	4.5
183.11568	4.1
184.07378	9.4
185.13377	4.3
189.11159	9.9
193.12198	28.3
199.14935	4.8
217.15800	5.5
221.15381	5.9
225.14838	4.9
227.12817	11.6
267.08997	5.5
267.15912	70.2
269.17377	20.8
273.18436	22.8
275.20227	4.1
291.19485	18.8
313.21573	4.5
347.22275	9.7
353.55487	4.5
365.23169	13.6
369.24185	5.2
383.24460	9.0
443.27414	5.4
447.28650	9.1
461.28937	29.4
463.30676	22.1
465.29639	7.3
477.28180	6.0
487.30621	7.3
493.31628	5.3
499.30249	4.4
539.33588	18.0
557.34595	51.1
575.35455	25.1
683.36993	5.7
749.90759	4.2
758.01123	4.6
777.19147	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.1
57.07042	0.9
59.04992	1.4
60.08144	1.4
61.02915	1.4
65.03926	1.9
66.23477	0.7
67.05496	48.6
69.03419	6.9
69.07059	29.5
69.07439	1.5
69.51934	5.5
71.04967	2.4
79.05482	37.4
81.03403	4.9
81.07046	43.1
83.04974	4.0
83.08609	9.3
85.02878	1.5
85.06525	1.9
86.09698	7.2
91.03919	0.8
91.05469	20.8
93.07033	34.1
95.04953	6.6
95.08595	29.3
97.02884	8.4
97.06515	4.9
97.10155	10.7
98.98483	0.8
99.08073	0.7
104.10730	1.1
105.04522	1.0
105.07017	16.1
107.04929	4.7
107.08579	19.0
108.05750	0.7
109.02934	0.7
109.06506	2.5
109.10139	15.2
111.08064	2.7
117.07018	8.0
119.04921	1.3
119.08563	14.1
121.06473	1.6
121.10128	13.6
123.08035	3.0
123.11675	2.8
124.99966	4.1
125.09603	7.5
129.06973	3.0
130.07747	1.2
131.08548	10.4
133.06439	1.8
133.10107	9.1
134.07304	0.8
135.08006	2.9
135.11674	7.0
137.09599	2.9
137.13164	1.3
143.08539	3.2
145.10112	7.1
147.08011	4.6
147.11696	3.7
149.09593	1.6
149.13232	5.1
157.10127	2.6
159.11757	3.4
161.09590	2.7
161.13231	2.6
162.10381	1.0
163.11191	1.8
163.14859	1.3
165.09113	1.3
171.10217	0.8
171.11652	1.7
173.13254	1.8
175.11153	2.0
176.22919	0.7
177.12683	2.1
184.07323	29.5
185.13167	1.4
187.11047	0.9
187.14819	1.7
189.11180	4.1
189.12645	0.8
193.12209	1.6
195.13718	1.5
205.12074	1.4
211.13289	1.0
223.13249	14.8
227.12724	4.5
227.17743	0.9
243.21068	3.2
245.19011	1.2
249.14832	2.1
255.17310	1.4
261.22128	7.5
267.15729	1.0
273.18503	13.1
291.19501	100.0
292.19907	2.3
309.20551	1.1
317.24634	2.5
335.25748	91.4
336.26050	2.5
347.22067	1.6
365.23172	49.5
366.23541	1.4
545.38452	4.5
557.37512	1.0
607.43463	1.6
625.44537	92.6
626.44757	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	822.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.6
57.07074	2.1
59.85582	1.3
60.08150	1.5
61.02908	2.3
65.03931	4.7
67.05496	100.0
69.03414	4.9
69.07060	25.5
69.39681	11.7
71.04974	6.9
77.03932	1.3
79.05484	68.3
81.03423	7.8
81.07048	98.5
83.04964	15.0
83.08604	11.8
85.02876	1.8
85.06538	5.2
86.09694	5.7
91.05473	76.3
92.49509	1.3
93.07034	72.4
95.04955	14.2
95.08597	49.2
95.09227	1.8
97.02849	1.8
97.06513	8.6
97.10154	4.1
99.04453	2.2
99.08095	2.5
103.05488	1.3
104.46349	1.5
105.04491	1.3
105.07017	65.7
107.04948	9.6
107.08581	49.3
109.02961	1.5
109.06507	10.0
109.10143	59.0
111.08070	6.0
113.06038	2.0
115.05470	2.3
117.06998	13.6
119.08562	27.2
121.06506	8.6
121.10122	22.8
123.04449	2.5
123.08058	4.6
123.11672	11.2
124.99983	4.5
125.09605	3.6
127.07568	2.5
128.06206	3.7
129.06929	6.3
131.08543	21.6
133.06461	7.7
133.10115	71.4
135.08040	10.9
135.11662	14.4
137.09627	2.9
143.08574	5.9
145.10110	15.6
147.08023	5.5
147.11676	9.4
149.09598	9.6
149.13200	6.2
151.11165	31.6
154.48018	1.4
157.10136	4.7
159.08018	3.7
159.11690	6.0
161.09624	11.3
161.13252	4.7
163.11176	3.2
163.14804	2.4
165.09012	2.7
169.10139	1.7
169.12253	5.8
171.11636	6.4
173.09612	2.1
173.13193	3.7
175.11168	4.3
175.14792	3.1
177.09068	3.2
177.12691	1.8
179.10658	2.3
184.07327	19.7
185.13283	3.0
187.11128	1.4
187.14804	2.2
195.10095	1.7
195.11646	2.1
199.11205	1.6
203.14319	1.6
215.12756	5.1
227.17892	2.8
243.20937	2.9
245.18890	6.9
251.12828	3.9
253.14328	87.8
254.14618	2.1
255.17383	4.9
259.20599	2.2
261.22119	12.1
263.20007	5.1
268.44626	1.4
271.15393	2.1
273.18463	39.7
291.19507	38.3
301.21664	1.4
309.20526	5.1
329.21289	1.3
333.24268	1.4
335.25745	68.7
336.26172	2.3
347.22073	14.2
365.23196	50.7
366.23410	1.5
439.32187	2.5
457.33215	2.3
491.18805	1.5
513.35620	8.3
526.18805	1.7
529.34918	2.9
531.36664	11.3
607.43860	9.2
625.44568	79.3
626.44464	4.5
643.45917	1.8
704.16150	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.4
57.07062	2.6
61.02914	2.9
65.03912	2.7
67.05499	71.6
69.03410	4.3
69.06725	1.6
69.07060	22.1
71.03627	3.3
71.04972	5.1
77.03899	1.4
79.05483	51.6
80.73965	1.4
81.03399	5.0
81.07048	73.4
83.04969	10.9
83.08625	7.2
85.02884	3.0
85.06518	5.9
86.09668	1.3
91.05469	53.2
93.07031	56.0
93.07627	2.7
95.04964	10.7
95.08595	35.8
97.06507	5.3
103.05495	1.8
105.07023	44.8
107.04957	6.5
107.08582	40.1
107.28561	1.1
109.06468	6.8
109.10144	49.6
111.08076	2.2
113.05983	2.8
117.07010	9.0
119.08554	17.1
121.06478	5.5
121.10129	18.3
123.08035	3.5
123.11717	10.3
125.09643	2.3
127.07532	2.2
128.06204	1.3
129.06989	2.8
131.08554	16.3
133.06474	4.0
133.10115	65.4
135.08023	4.2
135.11662	11.9
137.09520	1.8
143.08560	6.1
145.10112	9.6
147.08034	3.0
147.11668	7.6
149.09602	6.6
149.13239	3.8
151.11165	32.1
157.10097	3.8
159.11665	5.2
161.09599	5.2
161.13194	3.2
163.11201	1.8
163.14758	2.2
169.10071	1.8
169.12181	3.8
171.11646	2.2
173.13226	3.8
175.11165	3.3
177.09064	2.1
179.10658	2.8
184.07338	6.3
187.14789	1.5
189.12680	1.8
199.14735	1.7
215.12688	3.3
227.17929	1.9
243.21013	3.2
245.18941	4.7
251.12741	4.3
253.14326	100.0
254.14743	3.1
261.22083	12.8
263.19974	4.9
273.18436	21.2
291.19513	23.1
309.20587	1.8
335.25751	50.6
336.26346	1.4
337.81641	1.4
347.22165	8.7
360.10873	1.4
365.23148	30.9
366.23489	1.7
368.36090	1.2
439.31662	2.2
457.32779	1.7
513.35767	5.9
529.35071	1.9
531.36792	14.9
532.37354	1.7
607.43335	5.2
625.44458	52.0
626.44391	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	824.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	1.0
61.02918	9.6
65.03928	1.6
65.15298	0.8
67.05494	45.7
69.03420	6.2
69.07059	15.4
71.01335	3.7
71.04971	6.5
71.53484	1.9
73.02901	3.9
79.05482	42.5
80.05859	1.2
81.03406	58.5
81.07043	34.0
83.04971	17.4
83.08602	18.9
85.02891	23.3
85.06517	4.5
91.03954	5.6
91.05463	36.6
93.07031	45.7
94.07346	1.5
95.04956	22.1
95.08592	14.5
97.02876	8.1
97.06507	11.5
97.10155	11.4
99.04439	1.6
99.08080	1.8
102.26360	1.0
105.07015	20.9
107.04928	6.9
107.08575	28.4
109.06497	5.3
109.10138	7.5
111.04417	1.3
111.08065	10.1
113.05949	1.9
117.07020	5.0
119.08549	18.4
121.06468	1.9
121.10125	11.0
123.08041	3.0
125.09575	1.6
127.03855	1.4
129.06985	7.5
130.07739	1.2
131.08557	9.4
133.06444	2.3
133.10100	10.2
135.11668	33.0
137.05928	2.0
137.09583	2.3
142.07742	2.0
145.04842	1.8
145.10091	8.6
147.08043	2.7
147.11659	11.9
149.09598	5.6
151.11076	1.3
153.12738	1.9
157.10083	9.5
163.05988	2.4
163.11177	6.9
165.12711	3.3
175.11159	12.2
181.12210	6.9
193.12209	31.7
195.81375	1.0
211.13258	41.5
249.14966	1.4
255.15866	72.5
256.16272	2.0
267.15887	28.8
278.38052	1.0
285.16916	21.1
403.24573	1.5
421.25446	2.8
447.27341	94.4
447.84229	1.2
448.27884	6.0
465.28400	100.0
466.28650	6.7
474.13718	1.2
609.32391	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	824.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	3.4
61.02892	3.4
65.03934	2.9
67.05495	85.5
69.03412	5.4
69.07055	25.6
69.20446	27.9
69.20750	2.4
71.04980	9.8
72.18291	2.2
79.05046	4.2
79.05481	52.3
81.03407	93.2
81.07045	75.3
82.03708	2.2
83.04956	13.9
83.08608	35.7
85.02895	3.4
85.06528	5.7
91.05468	46.3
91.78614	2.7
93.07024	52.9
95.04950	40.9
95.08584	33.0
96.99696	2.4
97.02876	5.0
97.06523	14.5
97.10160	15.8
98.20570	2.5
99.08077	3.1
105.07011	40.1
105.47684	2.6
107.04912	13.3
107.08578	36.6
109.06513	12.3
109.10133	28.3
111.04433	5.7
111.08064	13.6
115.05441	4.9
117.06998	12.1
118.29787	2.4
119.08564	38.1
121.06535	11.0
121.10132	16.0
123.08035	6.1
123.11703	5.9
125.09619	15.0
129.06973	16.0
131.08537	26.2
132.20016	2.6
133.06454	6.7
133.10115	21.9
135.08011	7.2
135.11671	18.2
137.05986	2.4
137.09541	6.6
141.06963	5.6
142.07664	2.7
143.08516	7.1
145.06494	5.0
145.10095	17.5
147.07990	8.4
147.09094	2.3
147.11678	18.0
149.09618	16.7
149.13206	7.6
155.08560	5.1
157.06453	2.9
157.10098	17.6
159.11676	12.7
161.09592	4.0
161.13268	4.0
163.11147	8.3
165.12717	2.6
169.10147	4.7
171.11620	4.2
173.11707	9.2
173.13165	5.2
175.11131	8.4
177.12651	4.5
184.07333	3.0
185.13022	3.1
187.11177	3.2
187.14845	3.6
189.11151	6.1
193.12228	29.1
211.13231	6.7
217.15836	3.6
227.12749	7.0
229.14255	26.1
241.14348	2.5
249.14786	3.6
250.44839	2.3
255.15846	9.2
267.15887	100.0
268.44333	2.5
269.17416	9.6
275.20023	27.0
293.21011	4.8
299.19931	2.4
307.33224	2.7
308.00241	2.5
308.62222	2.2
349.23782	17.5
351.22998	4.6
367.24734	23.2
369.24448	5.3
387.25256	4.0
403.24448	3.1
421.25833	25.6
437.28751	3.6
443.27783	10.5
447.27444	16.4
449.30249	3.4
461.28937	58.6
462.29099	4.9
465.28214	16.7
467.30957	3.3
475.30548	4.4
479.30020	4.1
482.30969	2.7
485.32751	3.7
493.31467	27.6
523.33856	2.8
541.35162	56.8
542.35205	2.7
559.36182	57.3
560.36285	3.5
583.36450	2.9
591.39410	2.6
631.58685	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.8
63.67820	1.8
65.03931	3.8
66.04713	1.5
67.05496	88.5
67.05862	4.5
69.03417	6.5
69.07061	31.5
69.88632	3.7
69.89041	6.6
71.04993	3.2
73.02907	2.0
79.05483	74.0
81.03407	10.8
81.07048	100.0
83.04970	12.6
83.08607	15.3
85.02898	5.6
85.06525	3.9
87.04435	2.0
90.41341	2.0
91.05052	1.3
91.05467	45.1
93.07033	73.8
94.07339	2.2
95.04957	11.2
95.08591	56.8
97.02881	4.6
97.06540	9.5
97.10195	5.8
99.08086	2.5
103.05461	2.0
105.04490	2.4
105.07014	37.9
107.04935	6.1
107.08587	41.0
109.06496	5.4
109.10144	19.7
111.08072	4.0
113.09631	2.1
117.06991	16.0
119.08565	28.6
121.06457	4.2
121.10121	31.1
123.08052	5.3
123.11684	6.9
125.09620	2.0
129.05429	2.5
129.06990	5.8
130.07745	2.3
131.08563	23.8
133.10121	25.9
135.08046	5.6
135.11685	19.8
137.09573	2.7
143.08574	4.6
145.10114	17.0
147.11665	10.4
149.09637	9.0
149.13260	14.0
155.08537	3.1
157.10139	4.3
159.11652	14.4
161.13223	3.8
163.11171	5.2
169.10138	4.6
173.13243	5.7
175.14777	2.1
177.12726	3.6
183.11656	2.6
185.13210	2.8
187.14798	2.7
195.13803	3.5
199.14716	1.8
243.20990	3.0
255.15932	7.7
257.19022	4.3
261.22134	5.9
269.17468	15.4
275.20059	16.5
335.25781	46.4
336.26190	1.8
349.23621	7.8
367.24612	2.4
413.21289	2.6
503.58597	2.4
515.37390	9.2
529.38947	36.6
530.39111	3.3
541.20618	1.9
569.64148	2.0
609.45068	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	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33606	1.9
61.02903	2.6
65.03921	4.1
67.05497	76.9
69.03413	9.9
69.07056	26.0
70.24913	7.9
71.04984	2.5
77.32616	1.9
79.05484	77.4
81.03392	5.6
81.07044	66.9
83.04962	7.6
83.08194	2.5
83.08620	23.8
85.02882	5.5
85.06537	3.8
91.05474	46.8
93.07031	60.8
94.97578	2.2
95.04942	7.0
95.08590	41.0
97.02905	3.6
97.06497	6.4
97.10162	52.6
105.07012	37.1
107.04964	4.9
107.07848	4.5
107.08581	86.2
109.02847	2.7
109.06502	6.6
109.10139	29.7
111.08036	3.3
114.89449	2.0
117.06993	13.7
119.08571	29.9
121.10126	23.9
123.08004	3.9
123.11677	7.1
125.09605	48.9
125.10388	1.9
127.03883	2.5
129.06981	4.7
131.08571	20.4
133.10124	27.4
135.08005	8.6
135.11688	17.3
137.13222	2.3
143.08560	5.0
145.10101	26.4
147.11670	19.2
149.09596	6.9
149.13187	4.9
153.09096	4.3
155.08459	2.8
156.09248	2.3
157.10089	6.3
159.11646	9.9
161.13210	9.8
163.11110	2.3
163.14772	2.8
169.10060	2.8
171.10222	3.4
171.11649	4.9
173.13234	9.2
175.14853	2.8
183.11649	3.6
185.13139	2.4
187.13354	2.2
189.11200	34.1
197.13316	2.8
199.14844	2.9
201.16383	2.4
215.17862	2.3
227.12747	100.0
229.19511	3.1
233.22470	2.4
239.18060	5.2
243.21170	3.3
245.13756	5.9
257.19049	11.9
259.20526	4.4
261.22122	18.0
275.20029	66.0
277.21539	2.6
313.21460	2.5
321.20294	2.7
331.22678	9.5
335.25757	88.3
336.26080	3.0
349.23676	67.1
350.24292	2.4
389.17953	4.7
487.34290	5.0
505.35165	9.8
535.41266	2.5
591.44238	2.9
609.45050	85.7
610.45453	5.0
627.46191	16.3
732.89899	2.4
821.98285	2.5
825.47327	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.7
65.03937	2.8
67.05497	80.5
69.03418	9.5
69.07064	30.9
69.61218	10.8
69.61650	10.1
71.05000	2.6
75.74899	2.3
79.05482	61.1
81.03413	7.3
81.07050	81.0
83.04967	10.3
83.08612	14.8
85.02890	7.2
85.06551	2.7
89.27950	2.4
91.05466	43.8
93.07037	73.4
95.04951	14.3
95.08031	3.5
95.08598	51.7
97.02907	5.4
97.06501	12.6
97.10165	6.6
99.04467	3.1
101.98846	2.4
102.66071	2.5
105.07003	38.4
107.04955	7.4
107.08575	36.8
109.06474	4.8
109.10142	20.1
111.08058	5.8
111.11411	2.3
117.06992	14.7
119.08573	28.1
121.06496	3.8
121.10129	30.8
123.08035	3.9
123.11682	4.5
125.09602	6.3
126.07843	2.4
129.05440	3.1
129.06953	4.1
131.08553	23.4
133.10135	26.5
135.08046	3.9
135.11682	18.5
141.06956	2.9
141.89200	2.3
143.08577	3.9
145.10118	21.1
147.11682	15.7
149.09599	8.6
149.13231	9.3
157.10117	5.9
159.11661	15.0
161.13298	4.2
163.11177	8.4
169.10162	2.9
171.11639	5.9
173.13280	7.9
175.14693	4.2
177.12730	2.8
185.13290	4.3
207.13802	2.9
223.13216	2.9
227.12950	3.0
239.17924	5.0
243.21109	4.2
245.97310	2.5
255.15988	5.2
257.18997	10.2
261.22067	16.0
269.17456	17.6
275.20016	30.7
280.31442	2.6
293.21051	3.1
317.24808	3.2
335.25760	100.0
349.23645	21.7
367.24878	5.9
381.27979	2.6
444.39410	2.8
489.35156	3.8
515.37341	13.7
529.38947	31.0
569.41681	5.5
609.45038	27.8
627.45642	11.1
753.50543	2.7
825.46912	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	826.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	3.5
61.02642	0.7
61.02918	9.0
65.03910	1.0
67.05495	64.1
69.03403	1.7
69.07056	5.7
70.49789	2.1
71.04981	2.7
71.08619	17.5
73.02887	3.1
79.05470	1.0
81.03403	1.1
81.07043	15.6
83.08611	11.2
85.02893	12.5
85.06528	1.9
85.10170	10.2
86.09689	1.6
89.06017	1.7
91.03938	7.0
91.05463	4.2
93.07014	2.2
94.85434	0.7
95.08590	14.0
97.02885	5.5
97.10145	2.8
99.04446	0.9
101.05978	0.7
107.08550	1.3
107.68273	0.6
109.10143	63.7
110.10448	0.8
111.08054	2.5
111.11687	0.9
119.08563	4.3
123.11685	2.3
127.03885	2.5
137.09599	3.5
145.04918	3.9
155.10629	3.3
158.57964	0.7
163.06009	4.2
173.11710	19.6
184.07323	3.4
229.14319	100.0
230.14615	1.0
239.23674	1.8
257.24597	1.4
271.62677	0.7
313.27307	78.3
314.27762	1.7
467.37274	63.8
468.37555	3.0
601.68457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.4
65.68361	0.9
67.05498	6.5
68.41782	0.8
69.03415	4.4
69.07050	2.5
71.54141	1.2
73.02905	4.9
79.05483	4.6
81.03416	2.0
81.07056	7.7
83.08594	0.9
83.94448	0.8
85.02888	6.8
91.03966	3.6
91.05477	3.7
93.07015	5.4
95.04961	1.1
95.08616	3.4
97.02871	4.4
99.04441	0.9
101.02380	2.2
105.07025	2.0
107.08598	3.1
109.06515	0.8
109.10188	1.2
119.08602	1.9
121.10126	1.7
127.03912	1.9
131.08589	1.6
133.10146	1.1
135.11678	1.1
142.27431	0.8
145.10133	1.0
154.62811	0.8
175.67346	0.8
243.08395	2.7
321.21432	0.9
329.17545	1.1
333.20181	3.9
412.01761	1.0
439.19220	1.1
444.20786	1.0
453.21295	1.5
519.29376	8.0
551.28326	5.8
582.60254	0.9
829.50543	100.0
830.50427	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	836.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.3
61.02920	4.5
65.03922	1.4
67.05497	17.7
68.07362	0.8
69.03396	1.5
69.07056	3.9
71.04992	2.0
73.02926	1.3
73.92628	1.0
79.05489	15.6
81.03407	12.3
81.07049	24.0
83.01344	2.9
83.04978	6.3
83.08609	9.6
85.02896	7.7
85.06562	1.0
91.03944	3.8
91.05468	10.7
93.07030	19.4
95.04945	6.6
95.08592	8.8
97.02891	4.7
97.06522	4.4
97.10161	1.5
98.21499	3.5
105.06998	5.1
105.65090	1.0
107.04956	3.8
107.08586	10.5
109.06507	3.7
109.10112	1.3
109.22324	0.9
111.04419	1.6
111.08093	2.6
117.06998	5.0
119.08558	4.8
121.06536	2.2
121.10125	6.7
123.08084	4.8
127.03922	2.5
129.06992	1.4
131.08577	3.4
133.10123	5.1
135.11662	5.8
143.08611	1.2
145.04965	2.1
145.10139	5.8
147.08049	1.1
147.11703	1.7
149.09645	1.3
149.13266	3.7
153.12764	1.2
155.08588	1.1
157.10172	1.1
159.11748	2.0
163.06075	2.5
163.11172	9.8
173.09581	1.2
177.12758	1.2
180.45638	1.0
191.10849	0.9
193.12227	2.8
195.13748	4.9
209.11668	1.2
211.13385	1.3
227.12743	1.2
267.15933	6.7
269.17474	20.2
283.15366	27.6
367.22772	1.0
385.23679	1.4
397.12604	0.9
409.12555	1.0
433.26102	1.8
447.28458	1.0
459.27405	7.3
477.28424	100.0
478.28784	4.4
529.16235	0.9
539.31470	0.9
618.18304	1.1
621.32159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	8.0
65.03922	1.5
67.05496	34.0
69.03424	3.7
69.07066	12.3
71.04987	4.5
71.50798	0.5
73.02909	3.2
77.90784	0.6
79.05482	26.1
81.03407	39.7
81.07045	48.3
83.04970	12.4
83.08607	19.7
85.02893	21.3
85.03263	0.3
85.06506	2.9
91.03945	4.8
91.04885	0.9
91.05466	24.7
93.07030	32.0
94.07345	0.7
95.04955	16.1
95.08591	13.4
97.02887	6.4
97.06509	6.5
97.10136	2.2
99.04436	0.7
99.08073	1.4
105.07013	15.8
107.04951	3.6
107.08578	17.1
108.08892	0.5
109.06498	4.0
109.10142	2.6
111.04411	1.4
111.08068	8.8
113.05976	1.5
115.05428	1.3
117.06989	5.3
119.08572	10.9
121.06470	2.0
121.10124	12.6
123.08032	1.8
123.11688	1.7
125.09544	0.9
127.03899	1.9
129.06975	6.5
131.08546	8.9
133.06467	1.4
133.10107	11.1
135.08018	1.2
135.11685	4.0
137.09633	1.3
138.18442	0.6
142.07791	2.1
145.04924	1.7
145.10098	1.0
147.08000	2.0
147.11670	8.3
149.09608	4.0
149.13235	10.0
157.10098	8.7
159.11661	4.7
163.06004	2.2
163.11084	0.8
165.12750	1.9
175.11148	7.7
177.12717	2.6
193.12222	24.3
194.12564	1.1
195.13788	5.7
211.13266	31.6
212.13628	0.9
213.14832	1.1
249.14822	0.7
251.16423	0.8
267.15869	21.3
268.16064	0.6
269.17438	44.9
270.17941	1.7
285.16913	25.8
400.36288	0.8
413.21930	1.1
435.27359	1.3
443.27902	2.2
461.28922	53.4
462.29208	3.6
479.29977	100.0
480.30374	7.0
530.71130	0.6
605.33319	1.0
623.34033	2.4
783.48584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	94.5
69.07055	26.6
71.53870	13.7
76.52417	7.4
79.05489	69.7
81.03375	13.4
81.07052	100.0
83.04978	7.8
83.08591	10.4
87.04448	11.4
91.05479	69.3
93.07044	73.8
94.30427	8.0
95.04952	13.8
95.08606	49.1
97.06527	12.3
97.10128	9.3
98.81061	7.4
105.02164	8.2
105.07021	69.8
107.08595	46.1
107.09192	7.9
109.10159	24.1
117.06992	34.4
119.08575	50.3
121.10101	28.5
129.06979	13.1
131.08534	34.4
133.10094	43.0
135.11673	26.4
139.27803	8.1
143.08563	23.3
145.10114	23.4
147.11665	27.1
149.09502	13.5
149.13274	10.5
157.10098	18.3
159.11668	17.9
161.13281	11.5
169.10123	8.4
171.11679	20.1
173.13304	10.2
184.07323	11.4
185.13292	13.2
197.13148	11.0
199.11258	8.0
241.19508	9.3
255.15956	18.1
259.20453	31.6
269.17395	20.0
275.20010	18.8
333.24243	27.3
335.25787	10.4
344.57361	9.7
349.23734	11.9
527.37305	41.1
545.38354	10.7
607.43481	19.0
625.43964	25.0
643.45215	11.5
800.60175	9.9
841.45044	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	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.0
65.03924	5.3
67.05495	100.0
69.03423	17.8
69.07055	62.2
71.04989	23.6
73.02900	6.5
75.56379	2.3
79.05479	86.2
81.03398	27.7
81.07044	93.9
83.04959	21.9
83.08603	14.1
83.20344	2.4
85.02876	11.3
85.06520	6.7
87.19794	2.6
91.05469	63.6
93.06461	5.3
93.07027	87.1
95.04952	21.3
95.08593	55.6
97.02853	11.4
97.06514	79.0
97.10125	3.7
99.04439	3.8
99.08060	7.9
105.07027	39.0
107.04917	11.2
107.08569	40.8
109.02852	6.0
109.06518	15.8
109.10141	25.4
111.08061	7.3
113.05991	3.5
115.05461	4.0
115.07546	31.1
117.07001	17.3
119.08551	30.3
121.06461	7.0
121.10121	26.3
123.08063	6.3
123.11695	5.4
127.03943	5.3
128.06200	3.0
129.05487	4.1
129.06989	11.0
131.08542	28.9
133.06418	4.2
133.10088	31.7
135.08044	12.6
135.11700	12.7
143.08524	8.6
145.06509	3.2
145.10085	21.1
147.08043	5.8
147.11671	15.7
149.09589	9.1
149.13229	12.7
151.11090	3.9
151.45680	2.7
157.10092	9.8
159.08040	3.7
159.11667	14.0
161.09534	6.8
161.13269	7.5
163.11133	3.5
169.10109	3.1
171.11671	9.9
173.04459	4.8
173.13210	10.0
175.11122	5.7
175.14723	3.1
177.12706	3.6
183.11577	3.0
184.07332	2.9
185.13237	3.0
187.14825	5.6
197.13251	4.2
197.77924	2.6
199.14705	4.2
217.15898	10.0
229.19519	2.6
233.15305	3.3
245.18896	4.8
253.14201	2.6
259.20615	4.8
261.22156	8.4
269.17392	12.1
273.18466	28.6
275.20084	3.4
291.19449	19.9
335.25760	92.3
336.25885	5.0
337.25967	2.9
347.21884	12.7
365.23245	11.3
372.45056	2.6
529.38812	22.5
555.40088	2.9
585.41675	4.1
607.43835	6.6
625.44482	14.7
643.44952	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	840.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	4.3
65.03909	4.8
67.05498	89.3
69.03423	17.8
69.07060	59.7
71.04636	2.7
71.04987	30.1
73.02897	4.2
78.44651	2.4
79.05483	84.0
81.03406	19.1
81.07050	88.4
83.04971	13.8
83.08608	13.5
85.02889	9.5
85.06511	6.0
91.05470	58.5
93.06454	4.8
93.07032	77.0
95.04968	20.0
95.08597	59.8
97.02888	11.3
97.06519	100.0
97.10165	5.3
98.21541	4.5
99.08067	6.9
105.07017	45.5
107.04930	9.8
107.08575	37.0
109.06507	17.1
109.10141	18.1
111.08047	5.1
113.05932	3.5
115.07561	28.7
117.07011	20.3
119.04906	2.6
119.08567	22.7
121.06496	9.1
121.10133	27.8
123.08070	7.7
123.11694	5.5
123.30997	2.5
125.05931	2.5
127.03903	6.5
128.06203	4.8
129.06966	11.1
129.78033	2.2
131.08562	28.6
133.06473	5.5
133.10120	25.6
135.08022	14.4
135.11678	17.5
137.09572	2.8
141.07060	3.4
143.08510	10.0
145.06375	2.8
145.10133	16.2
147.08049	5.7
147.11658	12.5
149.09612	9.1
149.13237	10.7
151.11169	4.4
157.00873	2.2
157.10078	9.6
159.08047	3.9
159.11627	14.5
161.09569	9.6
161.13229	4.7
163.11115	2.8
169.10092	2.8
171.11652	7.8
173.04486	3.9
173.09589	3.8
173.13257	8.5
175.11157	6.3
177.12708	4.0
179.14284	2.7
184.07382	3.4
185.13254	6.5
187.11160	4.1
187.14839	2.9
195.13799	4.4
199.14781	4.8
201.07576	4.6
201.12857	3.9
217.15892	13.4
229.78328	2.8
233.15327	7.6
235.16832	3.2
243.21077	5.3
245.19008	6.4
253.14259	2.9
255.17543	2.9
261.22116	13.4
269.17505	22.3
273.15457	3.3
273.18445	48.4
275.20020	3.1
291.19443	18.1
297.16818	4.0
307.19119	3.0
329.21054	3.0
335.25751	87.2
347.22214	13.9
365.23260	15.4
383.23904	3.7
515.37567	3.9
529.38812	35.0
567.40088	4.3
607.43573	7.9
625.44403	20.7
643.45245	9.3
648.42511	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	840.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02888	4.3
65.03931	6.3
67.05497	91.2
69.03410	7.7
69.07067	35.9
71.04973	7.4
71.54031	5.7
79.05482	88.3
81.03384	9.7
81.07049	100.0
83.04973	15.0
83.08617	21.3
85.02883	6.6
91.05466	90.1
93.07027	88.2
93.07612	3.5
95.04947	12.4
95.08598	49.9
97.02850	8.0
97.06524	16.7
97.10133	8.3
102.69133	2.8
103.05448	7.1
105.06376	5.9
105.07021	81.2
106.07327	3.5
107.04929	6.9
107.08580	49.2
109.06501	8.0
109.10152	25.1
111.08054	8.8
115.05427	9.1
117.07018	32.7
119.07785	4.5
119.08570	61.2
121.06515	4.5
121.10112	25.2
123.11697	5.7
125.09599	4.1
127.03893	4.3
128.06204	6.6
129.05421	2.9
129.06976	20.3
131.08566	39.6
133.06421	2.6
133.10110	54.6
135.08047	3.9
135.11697	20.5
137.09569	6.7
141.06973	7.4
142.07707	2.9
143.08562	22.2
145.10097	31.8
147.11668	32.8
149.09596	10.6
149.13225	12.6
153.06972	4.7
155.08516	12.4
156.22832	3.5
157.10162	17.4
159.11665	27.9
159.61986	3.6
161.09619	3.4
161.13205	18.8
163.11148	6.8
167.08514	5.5
169.10065	16.2
171.11665	16.2
173.13184	17.7
175.14786	5.5
179.08589	4.0
181.10121	4.0
183.11633	13.4
184.07285	11.9
185.13252	10.4
187.14748	6.9
193.10269	2.9
195.11725	7.3
197.13196	9.0
199.14763	9.2
209.13240	7.4
211.14754	4.2
213.16331	2.9
225.16252	3.2
239.17982	3.1
241.19530	8.7
255.15968	10.5
257.19144	4.2
259.20557	33.9
269.17413	12.2
275.20013	12.6
315.22943	4.6
322.00198	3.6
333.24197	32.5
349.23868	7.6
435.32642	5.6
461.56931	3.2
513.35522	17.9
515.37769	5.0
527.37366	33.2
607.43854	17.4
625.44354	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66289	1.4
67.05485	1.8
69.03413	5.3
69.38268	8.8
70.95884	1.1
79.05480	3.4
81.03382	3.3
82.06552	1.3
85.02882	6.2
87.04502	1.1
89.03913	1.6
91.05441	2.8
93.05775	1.6
93.07030	3.0
94.06551	8.1
95.07354	3.4
96.08125	11.6
97.02897	3.9
97.06492	1.4
106.06542	4.7
107.07338	2.7
108.04488	2.1
108.08109	16.7
109.02844	2.3
110.09673	19.6
118.06528	1.8
120.04445	3.3
120.08105	16.1
122.06013	15.4
122.09659	3.4
124.07589	9.2
127.03875	2.0
134.06030	2.8
134.09641	2.1
136.07567	24.8
137.08432	1.5
138.05473	2.6
138.09119	31.6
144.04440	2.7
146.05984	18.8
148.07552	16.2
150.09125	12.9
152.07063	19.0
160.03957	2.4
160.07570	2.6
162.05455	1.7
164.07040	10.8
166.08624	77.8
172.03914	17.7
172.07576	1.3
174.05528	2.4
174.09135	2.0
176.07050	2.5
182.08138	4.5
190.04970	20.3
197.10725	2.0
198.11565	2.2
204.06540	29.2
210.11528	3.6
211.12160	6.3
212.12965	2.7
218.08061	3.1
220.09622	1.8
222.11401	2.2
223.12241	5.8
225.10289	5.7
225.13675	3.2
226.10893	2.2
227.11766	6.0
231.44910	1.2
235.08743	1.8
235.12251	1.6
236.09363	3.1
237.10194	8.0
237.13829	2.0
238.10918	8.2
239.11775	12.4
241.09622	1.5
241.13429	1.5
243.11102	1.3
245.12923	2.2
246.07651	2.3
248.09517	2.9
249.10196	15.3
250.10913	10.4
251.11798	19.8
252.08945	3.2
252.12544	4.1
253.09726	3.5
253.13304	8.7
255.11168	3.2
256.11978	1.5
257.12799	3.5
259.14484	2.2
263.11761	36.7
264.08789	3.8
264.12485	8.2
265.09708	7.0
265.13330	17.8
266.10522	3.5
267.11267	11.9
267.14249	2.1
269.12912	6.3
270.13208	1.5
271.10947	2.6
271.14401	5.1
273.12289	4.3
275.11905	2.3
276.08774	1.7
277.09772	3.7
277.13092	1.6
278.10425	7.1
279.11258	26.3
280.11899	2.5
281.12823	17.7
282.09973	2.9
282.13214	2.0
283.10693	5.4
283.14209	2.7
284.11514	3.7
285.12299	14.6
287.13754	3.6
291.11252	37.4
292.11981	7.4
293.12814	27.6
294.13123	1.5
295.10846	7.3
295.14005	2.0
296.11475	3.5
297.12314	40.4
298.12827	4.9
299.13864	24.4
305.09195	1.5
305.14963	2.4
307.10684	4.8
309.12320	24.2
310.12616	1.5
311.10257	4.5
311.13867	18.5
313.11926	3.3
315.13351	19.6
316.14410	1.5
319.10745	19.3
321.12247	5.5
323.10248	8.0
324.11108	1.5
325.11804	37.9
326.12421	2.0
327.13351	6.3
334.92603	1.3
337.11789	100.0
338.12134	5.5
339.13367	6.6
339.48376	1.4
341.11560	1.6
343.12842	2.8
344.17383	2.0
351.13339	2.1
355.12857	2.5
357.14407	15.1
358.15161	1.6
362.18503	1.6
369.14673	5.8
371.16287	2.9
373.14020	4.2
386.18716	2.0
387.16061	1.9
401.13400	11.9
402.17950	1.5
404.19675	2.5
418.21524	1.9
430.17456	2.8
432.19287	2.6
444.18939	4.8
446.15915	1.7
446.20782	3.8
448.17505	1.9
448.22537	3.9
449.19333	2.8
450.20099	5.3
458.17029	3.3
459.17200	1.4
461.19952	2.3
462.20309	6.2
464.21951	32.0
465.22327	1.8
472.18872	6.9
476.18112	6.3
477.18567	2.0
482.18906	3.6
487.16980	6.3
490.19708	60.6
491.20023	4.9
492.21344	1.7
494.19107	2.6
508.20728	4.9
514.21399	2.6
522.22241	24.3
523.22430	2.4
587.24701	2.9
593.80023	1.4
603.27618	3.2
608.25604	1.7
611.24884	9.9
612.24396	2.5
624.24988	1.8
626.17432	2.2
626.26984	32.0
627.26880	3.0
629.26111	14.8
633.72937	1.3
634.23651	6.6
635.24524	1.4
643.27667	1.4
647.27002	39.7
649.75623	1.4
652.24969	77.4
653.25116	5.6
654.26093	1.9
679.29706	8.7
684.27405	21.5
685.27252	2.7
791.30902	2.1
809.32458	11.6
841.34589	2.8
868.78558	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	842.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	4.8
63.76565	2.0
65.03934	4.9
67.05498	86.0
69.03426	2.4
69.07059	29.4
71.04991	4.0
71.07323	3.2
77.45906	2.1
79.05481	48.6
81.07049	100.0
83.04960	5.5
83.08605	16.6
85.02919	3.3
85.06503	2.6
86.09690	32.3
91.05466	31.5
93.07035	61.5
95.04959	8.4
95.08593	50.9
97.02924	2.8
97.06512	14.4
97.10171	4.5
98.21504	4.3
98.98436	3.4
99.08113	4.1
104.10735	3.4
105.07018	30.5
107.04951	3.6
107.08591	34.6
109.06499	5.5
109.10141	26.0
111.08041	3.4
117.06973	12.8
119.08566	24.4
121.10136	27.0
123.08043	3.5
123.11691	7.1
124.99989	22.1
125.09650	4.4
128.15260	2.4
128.87064	2.1
130.09689	2.4
131.08556	21.2
133.10115	19.6
135.08034	3.2
135.11678	16.9
137.09604	3.8
145.10103	11.8
147.11676	10.6
149.09616	6.5
149.13194	13.2
149.95227	2.4
157.10155	3.1
159.11638	14.8
161.13216	6.9
163.11197	3.9
163.14783	5.2
169.10144	2.4
171.11708	3.5
172.18697	2.3
173.11826	3.8
173.13295	5.6
175.10982	2.5
177.94786	2.1
184.07324	98.2
184.08969	5.0
185.13208	2.0
195.13823	3.0
226.21738	2.4
227.12770	6.5
229.14302	10.1
243.21100	3.5
257.18958	6.0
259.20645	3.7
261.22107	8.4
269.17465	30.0
270.17950	2.7
275.20007	32.6
293.21078	8.8
317.24542	2.5
335.25760	77.2
336.25894	3.1
349.23724	19.1
367.24731	21.8
459.99454	2.5
473.15070	2.9
489.35559	10.2
529.38800	55.0
530.38995	5.3
548.76807	2.7
609.45068	35.3
627.46265	22.9
726.45795	2.5
843.48120	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	848.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	3.2
61.02914	10.9
65.03926	2.6
67.05492	93.1
68.05833	0.8
69.03419	2.6
69.07057	7.9
69.48769	2.2
69.49200	2.1
71.04978	3.2
73.02901	3.8
77.03909	0.6
79.05479	16.3
79.81761	0.6
81.03417	1.6
81.07045	35.1
82.07413	0.9
82.85588	0.4
83.04978	1.0
83.08607	8.1
83.74487	0.5
85.02403	1.1
85.02890	12.8
85.03400	0.6
85.06544	2.3
91.03945	9.9
91.05468	11.7
93.07030	22.1
95.04953	1.1
95.08591	25.3
97.02877	6.8
97.06514	1.2
97.10121	2.5
99.04451	0.8
99.08083	1.4
103.03922	0.7
105.07015	7.2
107.08575	14.1
107.09277	0.9
109.02886	0.7
109.06490	0.8
109.10139	86.8
110.10478	1.0
111.08044	4.4
113.09608	0.8
115.78155	0.6
117.07010	3.2
119.08559	10.7
121.10126	11.6
123.11674	4.7
125.09637	1.4
127.03931	4.1
131.08578	5.7
133.10109	6.2
135.11671	8.3
137.09596	3.4
137.13223	1.5
145.04971	4.7
145.10097	4.5
147.11649	3.9
149.13217	5.5
155.10608	3.7
159.11702	3.9
161.13213	3.5
163.05997	5.0
163.14792	2.7
171.11742	0.6
173.11743	24.8
173.13237	3.9
175.14789	0.9
176.25146	0.5
177.16345	1.0
184.07245	0.8
187.14804	1.8
189.11186	1.1
189.16350	0.6
201.16409	1.0
227.12753	6.9
229.14316	100.0
230.14684	2.1
233.22604	0.9
243.21040	4.8
261.22095	17.3
262.22556	0.7
277.21573	0.7
277.29205	0.5
317.24612	3.2
318.70724	0.6
335.25745	64.1
336.26013	1.9
379.29584	1.3
397.30786	2.4
415.31924	1.5
449.32755	0.7
471.34525	2.2
489.35675	45.3
490.36026	3.6
507.36697	6.8
539.65674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.0
61.02918	11.5
62.01318	0.5
65.03929	3.2
67.05497	100.0
68.05835	1.1
69.03429	3.3
69.07064	9.6
69.93024	3.3
71.04992	3.8
73.02906	3.7
79.05485	22.5
81.03426	1.6
81.07047	38.8
83.04978	1.1
83.08615	8.9
85.02898	13.5
85.06528	2.9
91.03953	7.9
91.05473	15.7
93.07034	29.9
95.04974	2.9
95.08595	29.1
95.09225	1.1
97.02879	7.5
97.06507	2.1
97.10148	1.7
99.04453	0.8
99.08054	1.3
103.03947	0.7
105.07021	8.8
107.04943	0.7
107.08580	16.7
109.02887	1.0
109.06540	0.9
109.10143	79.8
110.10473	1.4
111.08067	3.9
115.03886	0.7
117.07014	4.2
119.08572	12.0
121.10130	13.6
123.11703	4.2
125.09612	1.3
127.03901	3.2
131.08545	6.1
133.10110	6.0
135.08104	0.7
135.11676	8.5
137.09607	3.4
137.13226	1.6
139.11151	0.8
145.04921	3.5
145.10106	4.2
147.11682	3.9
149.13231	5.4
155.10648	3.6
159.11676	4.3
161.13217	4.2
163.06036	4.3
163.14798	2.9
171.11673	0.8
173.11763	20.3
173.13257	4.1
175.14799	1.5
177.16400	1.4
177.66972	0.6
187.14813	2.2
189.11179	1.0
204.24985	0.6
227.12775	5.3
229.14325	86.5
230.14693	1.8
243.21051	5.7
245.74908	0.6
261.22110	21.7
279.23077	0.8
296.26520	0.6
317.24683	4.3
335.25757	70.5
336.26147	3.1
379.30020	1.0
397.31030	1.0
471.34601	2.1
489.35721	71.0
490.36069	4.4
507.31076	0.5
507.36890	5.8
633.38989	0.7
855.39130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.6
65.32159	0.4
67.05476	0.5
68.05022	0.5
69.03386	0.8
70.06580	24.9
71.08618	4.0
72.08117	0.8
73.40492	0.3
73.76868	0.3
74.06062	0.6
79.05475	0.6
81.07027	0.7
83.08589	0.4
84.08137	0.7
85.10138	1.2
88.07616	29.3
91.05463	0.4
93.07017	0.7
95.04953	0.7
95.08574	0.7
97.02826	0.4
102.09163	22.1
105.03355	0.9
107.08599	0.5
111.04424	0.4
121.02843	2.3
131.04941	0.6
132.01953	0.4
133.02834	0.7
136.01494	0.4
139.03877	3.1
147.04381	2.1
149.02322	100.0
149.03384	5.9
150.02620	0.7
167.03265	0.3
173.04561	0.4
175.03905	2.9
177.05405	1.8
180.04140	0.6
184.07285	0.5
191.06978	2.3
193.04935	50.0
194.05290	0.3
206.93816	0.4
212.23766	0.7
219.06462	3.4
225.05307	0.7
228.23204	0.4
229.68785	0.5
237.07530	10.7
256.26306	73.5
257.26682	1.3
269.04233	0.5
274.03259	0.4
280.66785	0.3
288.75659	0.3
297.03940	1.4
300.28925	1.9
313.07040	1.3
341.06461	4.4
343.08148	1.0
359.07553	2.4
385.09100	7.6
390.57544	0.4
411.10684	1.0
429.11758	1.6
533.10840	1.3
542.90582	0.4
577.13379	9.1
621.15912	15.8
621.26227	0.8
622.16022	0.9
640.34912	1.0
832.38727	2.2
850.39886	90.4
851.40430	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	850.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	5.4
65.03912	3.0
67.05497	41.0
69.03387	2.8
69.07061	8.2
71.04971	2.9
71.56267	2.2
71.56649	1.5
73.02880	2.1
79.05482	59.9
79.36440	1.4
81.03405	43.9
81.07046	37.6
83.04970	17.6
83.08604	17.4
85.02409	1.5
85.02892	17.1
85.06512	2.2
88.71502	1.1
91.03923	3.9
91.05468	55.8
93.07032	55.1
95.04958	27.4
95.08595	21.6
95.71723	1.3
97.02861	4.8
97.06510	5.4
97.10148	5.1
103.05419	2.2
105.04500	2.3
105.07017	37.1
107.04937	10.0
107.08568	15.5
109.06519	6.1
109.10159	5.7
111.04409	1.9
111.08053	7.4
115.05431	2.0
117.07016	7.4
119.08572	25.5
121.04814	1.4
121.06474	3.0
121.10139	8.0
123.08051	5.0
125.09586	1.8
128.06219	1.6
129.06992	18.1
131.08542	10.7
133.06511	2.1
133.10127	13.3
135.08058	2.3
135.11673	2.4
137.09569	2.6
141.37747	1.2
142.07713	2.6
143.08580	7.2
145.04878	1.3
145.10103	7.7
147.08017	4.2
147.11671	31.5
149.09602	3.2
151.03885	2.5
157.10123	8.5
161.09581	4.0
161.13235	6.3
163.05978	1.3
163.11189	1.2
171.11678	18.9
171.55449	1.4
175.11198	7.0
178.60468	1.1
189.12694	5.9
193.12224	20.7
207.13766	20.3
207.17105	1.1
208.14195	1.2
211.13266	22.7
267.15872	37.0
269.17450	2.3
270.04800	1.4
281.17435	100.0
282.17737	2.3
285.16888	23.3
319.11649	1.5
402.45441	1.2
423.16324	3.1
473.28943	95.4
474.29321	4.2
491.29990	97.4
492.30176	4.9
617.29059	4.0
631.31354	1.3
635.30640	5.8
751.46765	1.4
825.86761	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	850.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
67.05164	2.1
67.05499	34.1
69.03410	2.9
69.07041	7.5
71.04984	4.3
71.54627	3.2
71.55311	1.9
73.02914	3.3
79.05490	54.0
81.03410	37.3
81.07049	37.2
83.04977	13.7
83.08601	13.6
85.02894	13.6
85.06529	2.5
91.05477	50.8
93.07039	45.7
95.04966	27.0
95.08605	20.6
97.02876	5.0
97.06509	4.8
97.10157	4.2
105.07020	34.1
107.04927	7.5
107.08566	13.6
109.06509	6.5
109.10156	3.0
111.04420	2.1
111.08074	6.9
115.05460	2.8
117.06989	4.0
119.08566	22.8
121.06522	4.5
121.10113	7.4
123.08070	4.6
125.09592	2.4
128.06174	2.0
129.06984	14.5
131.08568	8.1
133.10104	11.7
135.04404	1.8
135.11638	2.0
142.07736	2.4
143.08566	6.8
145.10130	8.5
147.07979	3.9
147.11684	31.6
149.09581	2.8
157.10112	7.5
161.09554	3.8
161.13225	7.3
171.11650	17.6
175.11154	6.2
189.12654	8.5
193.12238	23.9
205.08047	2.0
207.13773	23.4
211.13254	26.8
267.15887	29.5
269.17480	5.2
272.02112	1.8
281.17453	96.8
281.68677	1.9
282.17575	2.0
285.09900	1.9
285.16959	30.1
313.81799	1.7
349.24478	1.7
423.16205	4.8
473.28973	100.0
474.29407	3.7
491.30002	92.9
492.30170	4.0
599.27954	3.2
617.29584	3.1
635.30627	6.2
653.29919	3.0
657.78400	2.0
709.66278	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	852.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.6
65.03944	0.9
67.05160	0.9
67.05498	16.3
69.03407	3.3
69.07055	3.8
71.04977	2.7
73.02911	1.9
79.05040	1.5
79.05482	18.1
81.03409	35.5
81.07049	19.2
83.01341	5.0
83.04977	11.1
83.08613	17.2
85.02896	19.0
85.03413	1.1
85.06533	0.9
91.03954	5.0
91.05469	22.8
93.07033	18.2
95.04959	16.2
95.08602	7.1
97.02884	5.9
97.06538	4.7
97.10154	2.1
99.04443	2.2
99.08062	0.7
105.07016	13.8
107.04939	7.5
107.08595	9.5
109.02835	1.0
109.06525	5.6
109.10147	2.4
111.04437	2.1
111.08076	6.7
113.05967	1.4
115.05425	1.4
117.06998	4.3
119.08572	13.2
121.06498	2.8
121.10138	7.7
123.08054	5.7
123.11628	0.9
125.05992	1.1
125.09583	0.9
127.03901	1.4
128.06190	0.7
129.06995	6.7
131.04901	1.1
131.08525	7.9
133.06467	1.9
133.10104	6.8
135.08128	0.8
135.11687	6.4
137.09610	1.9
142.07750	1.6
145.04947	1.6
145.06380	0.7
145.10109	9.5
147.08020	2.4
147.11670	7.5
149.09628	3.7
153.12737	2.4
155.08521	1.1
157.10121	7.3
163.06047	1.6
163.11163	11.6
165.05681	0.7
165.12744	2.5
173.09637	1.5
175.11154	7.6
181.12241	1.7
184.07256	0.8
191.10712	1.9
193.12230	21.9
193.14044	1.1
194.12660	1.0
201.16360	0.6
209.11627	3.0
211.13272	31.1
212.13626	0.6
220.40508	0.6
227.12813	2.4
229.25858	0.7
267.15903	8.1
283.15378	35.2
284.15878	1.3
285.16931	26.6
383.22195	2.1
401.23212	1.8
457.25833	4.1
472.02841	0.8
475.26871	14.9
476.27258	0.9
493.27924	100.0
494.28256	5.8
637.31909	1.4
670.91168	0.8
768.66321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
67.05496	18.4
69.03421	7.3
69.07061	22.2
69.88359	1.0
69.88780	2.0
71.04976	1.9
79.05481	17.6
80.05824	0.8
80.69468	0.6
81.03412	7.1
81.07045	17.4
82.03761	0.6
82.96883	0.6
83.04960	3.1
83.08606	7.8
85.01296	0.5
85.02892	1.1
85.06508	0.6
91.05476	13.9
93.07031	14.7
95.01318	0.7
95.04955	5.8
95.08592	7.8
97.02882	10.1
97.06511	2.5
97.10159	9.5
99.04461	0.6
103.05467	0.8
105.07012	9.9
107.04953	5.7
107.08588	9.4
108.05705	0.6
109.02808	0.7
109.06491	1.9
109.10140	4.9
111.04426	0.8
111.08066	1.4
115.05424	1.2
117.07002	5.6
119.04924	1.4
119.08576	9.4
121.06459	2.7
121.10117	4.0
123.04410	0.8
123.08053	3.5
123.11702	0.8
125.09621	8.3
127.03870	0.7
128.06134	0.7
129.06998	3.2
130.07797	1.0
131.04929	0.7
131.08551	6.7
133.06439	2.8
133.10118	3.5
134.07265	1.1
135.08034	3.2
135.11664	2.1
137.09599	1.8
143.08516	2.7
145.06412	0.9
145.10095	4.0
147.08043	4.0
147.11668	3.3
149.09602	1.3
149.13213	1.7
151.11107	0.8
153.09073	0.9
157.10124	2.4
159.08046	1.4
159.11639	2.7
161.09598	2.2
162.10315	0.9
163.11188	1.7
165.09033	1.6
169.12207	1.1
171.11707	0.6
173.09674	0.7
175.11159	2.7
177.12683	1.6
184.07239	0.6
185.09602	0.7
185.13246	0.5
189.11217	3.8
189.12733	0.9
193.12225	1.9
195.13785	1.5
200.24785	0.6
205.12239	1.8
211.13277	2.1
223.13275	15.3
227.12733	4.8
245.18851	1.3
249.14861	3.2
255.17535	1.3
263.20047	1.1
267.15909	1.6
273.18463	13.5
283.15482	0.6
291.19504	100.0
292.19788	2.0
309.20691	0.9
347.22159	3.2
365.23190	47.6
366.23492	1.5
535.32605	0.9
546.38666	0.7
557.34296	1.6
575.35663	1.4
637.40375	1.7
655.41949	43.6
656.42358	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	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02624	0.8
61.02917	11.6
65.03926	2.1
67.05495	31.7
69.03420	6.8
69.07063	10.2
69.49608	5.1
71.04978	7.5
73.02907	3.6
76.17100	0.7
77.03893	0.6
79.05482	35.6
81.03407	100.0
81.07046	38.9
81.07415	0.8
82.03748	0.9
83.04967	24.4
83.08608	32.5
85.02895	51.1
85.06538	3.4
91.03957	7.1
91.05468	44.3
93.07031	25.0
95.04955	37.8
95.05602	0.6
95.08592	13.6
95.84441	0.6
97.02882	9.8
97.06516	5.7
97.10148	5.4
99.04453	1.6
99.08071	1.6
103.05484	0.8
105.07015	35.3
106.07368	0.6
107.04945	11.2
107.08578	10.0
109.02853	0.7
109.06508	7.0
109.10124	2.8
111.04396	3.5
111.08065	13.3
113.06006	3.8
115.05449	2.6
117.06985	2.8
119.04934	1.1
119.08569	27.8
120.08959	0.7
121.06480	2.0
121.10120	14.1
123.08052	4.0
123.11708	1.6
125.05962	1.1
125.09611	2.9
127.03901	2.8
127.07516	0.7
129.06992	18.9
131.08553	18.2
133.06512	4.5
133.10109	15.1
137.09569	2.9
137.13304	0.8
139.11107	0.7
142.07758	4.3
145.04961	2.0
145.06432	0.8
145.10110	3.4
147.08032	6.2
147.11671	22.4
148.12070	0.7
149.09610	9.8
151.11136	0.8
155.08600	0.7
157.10100	22.2
163.06032	2.3
163.11151	1.6
165.12744	4.3
175.11163	22.1
189.11227	1.0
193.12218	65.4
194.12482	1.4
211.13269	99.7
212.13521	2.2
227.12788	0.9
249.14810	2.2
267.15884	51.0
268.16312	1.6
270.94803	0.6
273.14859	1.3
285.16928	89.5
286.17349	2.1
349.21674	0.8
367.22556	3.5
385.23697	5.2
403.24588	2.5
429.21051	0.8
433.25668	2.7
441.26251	1.8
459.27386	35.1
460.27753	1.8
477.28442	40.5
478.28629	2.1
495.29474	97.0
496.29877	5.6
508.38083	0.7
528.35315	0.6
639.33313	2.1
741.08246	0.6
760.79175	0.6
762.58862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	16.1
65.03920	2.7
67.05499	95.9
68.06816	1.8
69.03416	4.8
69.07059	15.1
71.04978	7.0
73.02897	7.3
79.05484	40.0
79.90105	1.7
81.03413	14.0
81.06564	3.8
81.07047	75.3
83.04971	9.3
83.08611	19.5
85.02894	30.4
85.06525	6.0
87.04455	5.0
91.03949	13.2
91.05474	31.4
93.07038	43.1
95.04955	7.6
95.08591	22.5
97.02888	12.3
97.06511	10.2
97.10157	12.4
99.04446	2.4
99.08042	3.2
103.03924	2.6
105.07023	12.5
107.04935	5.0
107.08580	30.9
109.06486	4.4
109.10141	49.0
111.08065	5.5
116.04665	2.4
117.07004	8.4
119.08565	10.7
121.06486	2.5
121.10153	14.5
123.08027	3.4
123.11708	5.1
125.09641	10.8
127.03893	5.6
128.06299	1.9
129.05470	5.2
131.07706	2.2
131.08549	10.6
133.10114	16.3
135.08081	3.1
135.11668	13.3
137.09618	3.5
143.10643	4.1
145.04979	5.4
145.10155	4.5
147.11658	5.7
149.09518	2.1
149.13235	11.9
151.11110	2.1
153.12727	2.5
157.10236	1.8
159.11690	8.8
163.06009	7.8
163.11177	6.1
165.12758	3.3
173.09505	2.2
173.11716	15.7
177.12750	7.2
181.12064	3.0
191.10652	2.8
193.12277	2.8
195.13843	12.1
199.13257	5.3
209.11710	7.1
227.12755	8.5
229.14333	49.6
239.16319	2.8
257.13898	5.6
267.15884	10.7
269.17459	70.5
270.17880	2.5
283.15433	6.1
297.17007	2.8
301.16397	19.8
314.20526	2.1
393.26260	3.7
411.27600	4.9
423.27353	54.8
424.27390	2.1
437.29202	10.4
463.30313	10.0
477.28384	6.5
495.29141	100.0
496.29959	3.8
513.30566	26.6
514.31049	2.2
575.03186	1.8
830.00128	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02678	1.5
61.02923	15.6
65.03921	3.0
65.07034	1.5
67.05497	100.0
69.03411	6.4
69.07065	21.1
69.64665	1.3
71.04974	6.3
71.10443	3.9
73.02901	8.5
79.05048	2.8
79.05484	44.5
81.03406	18.3
81.06565	3.5
81.07045	73.8
83.04968	11.8
83.08617	20.7
85.02897	29.6
85.06526	4.8
87.04457	3.8
90.54931	1.6
91.03947	15.5
91.05474	27.3
93.07029	42.1
95.04957	9.4
95.08607	21.7
95.81046	1.4
97.02865	15.1
97.06512	12.3
97.10146	13.6
99.04473	1.6
101.01614	1.6
103.03928	1.8
104.76892	1.7
105.07005	14.8
107.04931	4.5
107.08585	28.9
109.06487	2.7
109.10138	59.0
111.08062	8.1
117.07014	9.3
119.08572	8.2
121.06480	2.4
121.10131	12.7
123.08054	3.0
123.11670	3.5
125.09618	16.5
127.03897	3.3
129.05437	8.2
129.07028	2.7
131.08559	11.7
133.10120	11.7
135.08090	2.1
135.11679	10.2
143.10602	1.8
145.04918	5.4
145.10109	5.4
147.08014	1.6
147.11667	6.8
149.02338	2.3
149.09624	2.4
149.13234	12.5
151.11139	1.7
153.12753	2.9
159.11662	6.3
163.06026	4.6
163.11168	8.8
165.12738	2.8
173.11710	15.3
175.11066	1.6
177.12764	2.8
179.02679	1.5
193.12234	4.6
195.13831	9.4
199.13272	7.3
209.11702	5.4
211.13223	4.7
213.14801	2.9
227.12640	8.3
229.14339	42.2
230.14635	1.8
239.16403	4.9
257.13666	2.0
259.98392	1.5
267.15881	11.2
269.17444	46.1
283.15387	6.4
294.50131	1.6
301.16385	17.2
308.20813	2.0
313.16479	2.7
323.18420	3.2
341.47849	1.8
357.24283	2.7
411.27258	5.5
422.57013	1.7
423.27374	36.0
430.41138	1.6
431.27991	3.1
477.28586	3.1
495.29456	84.7
496.29941	2.5
513.30627	27.8
640.81183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.2
67.05495	90.6
68.05806	2.4
69.03436	9.2
69.07059	43.1
71.04961	8.5
71.54027	3.3
71.69888	2.1
73.02912	2.4
74.21668	1.8
79.05481	60.9
81.03401	17.9
81.07045	100.0
83.04976	19.7
83.08611	17.0
85.02876	7.1
85.06510	7.0
91.05466	84.6
93.07032	72.9
94.07406	2.3
95.04958	24.1
95.08592	42.0
97.02880	8.1
97.06515	15.5
97.10132	7.0
99.04459	2.6
99.08063	2.7
100.12455	1.8
103.05471	3.3
105.07014	70.0
107.04953	17.4
107.08575	52.2
109.06493	13.6
109.10142	52.0
111.04398	3.2
111.08045	7.7
113.05949	2.5
113.09650	2.9
115.05428	5.3
117.06993	19.2
119.04904	1.9
119.08562	36.6
121.03969	1.8
121.06529	11.6
121.10128	21.3
123.04501	2.3
123.08040	6.0
123.11722	9.8
125.09599	8.0
127.03880	3.2
127.07510	2.0
128.06151	5.4
129.07014	9.3
130.07761	2.6
131.08551	28.9
133.06468	7.0
133.10112	75.4
134.10504	2.9
135.08031	13.3
135.11661	15.2
137.09592	7.2
141.06934	4.1
143.08534	10.4
145.10083	20.0
147.08017	7.7
147.11658	14.0
149.09628	14.5
149.13264	11.4
151.11145	31.2
155.08488	2.7
157.10071	6.5
159.08055	3.8
159.11665	14.4
161.09587	5.9
161.13240	7.7
163.11180	10.4
165.09055	2.8
165.12770	3.2
167.07205	2.1
169.10071	3.1
169.12166	5.6
171.11681	6.6
173.09691	2.0
173.13232	4.3
174.52739	2.4
175.11232	9.1
177.12689	6.5
179.10548	3.6
179.14178	2.2
183.11610	2.8
184.07323	2.9
187.11078	2.5
187.14807	3.8
195.13727	3.5
197.13232	3.6
199.11290	2.3
213.12769	2.0
215.12747	5.2
223.13306	6.1
227.17836	2.5
245.18860	6.6
246.22581	2.0
247.20677	2.4
251.12556	2.8
253.14333	71.9
255.15565	3.2
257.18970	7.0
263.19995	3.3
267.15826	3.6
269.17426	16.9
271.15393	4.1
273.18466	32.5
275.20013	32.7
276.20349	2.5
291.19531	47.5
293.21014	3.0
295.44247	2.1
309.20700	3.3
347.22202	13.3
349.23596	14.4
365.23199	38.3
366.23315	4.1
367.24640	8.5
415.97058	2.0
416.21655	2.6
447.27481	3.5
451.27023	2.0
461.23111	2.0
465.28366	9.6
527.33282	2.2
541.35077	7.1
542.35602	2.3
545.34772	13.5
559.36194	36.3
560.36066	3.0
583.60065	2.0
639.42358	18.8
640.42297	2.8
657.43280	13.0
658.43585	2.5
854.45996	16.2
855.46918	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.2
67.05495	48.5
69.03070	0.9
69.03422	11.5
69.07060	38.2
71.01347	0.9
71.04994	4.5
71.53917	1.3
71.54285	1.3
73.02882	1.0
79.05485	40.1
79.05957	2.1
81.03409	10.9
81.07047	52.9
83.04965	9.3
83.08607	12.6
85.02892	3.6
85.06538	2.7
91.05470	37.1
93.07031	43.5
95.04955	14.0
95.08593	19.8
97.02890	9.1
97.06523	10.8
97.10162	12.9
99.08076	1.8
103.05443	1.6
105.04501	0.9
105.07011	28.1
107.04951	9.8
107.07848	1.4
107.08582	28.0
108.05795	0.9
109.02873	1.9
109.06515	6.4
109.10133	13.9
111.04448	1.5
111.08076	4.3
115.05457	2.4
117.07008	15.3
119.08574	22.0
120.08931	0.9
121.06504	8.5
121.10123	11.3
123.04417	1.8
123.08051	4.2
123.11698	2.9
125.09630	9.5
126.09917	0.9
127.03883	2.0
128.06206	1.1
128.20604	0.8
129.05466	1.3
129.06979	6.3
130.07738	1.4
131.08545	15.7
133.06459	4.0
133.10109	18.4
135.08025	5.6
135.11684	9.8
137.09613	3.4
141.06996	1.6
142.07709	1.0
143.08554	5.0
145.06456	1.8
145.10091	11.1
147.08017	6.8
147.11671	6.2
149.09595	7.1
149.13240	7.6
151.11179	4.7
153.09131	1.1
155.08522	1.8
157.10156	2.9
159.08061	1.0
159.11670	10.7
161.09604	3.9
161.13245	3.2
163.11163	5.3
165.09148	1.8
169.10110	2.5
171.10255	1.2
171.11641	2.3
173.04477	1.7
173.09627	1.3
173.13275	3.1
175.11180	2.8
177.09099	0.9
177.12755	3.7
179.10593	1.0
179.14342	1.3
183.11658	1.6
185.13240	1.8
187.11205	1.1
187.14702	1.0
189.11273	4.1
193.12241	2.1
195.13792	5.6
204.93137	0.9
205.12209	2.2
211.13242	1.5
213.14755	1.1
223.13235	17.9
227.12773	5.6
229.19478	1.4
233.15433	1.1
239.17886	2.0
245.18977	2.2
247.20551	1.8
249.14902	3.1
251.12956	0.9
253.14310	7.7
255.15645	5.4
257.18997	3.4
267.15826	1.7
269.17462	26.8
270.17978	1.5
273.18466	16.7
275.19998	16.9
276.20328	1.2
279.15747	1.0
291.19504	100.0
292.19800	3.6
293.20889	1.6
309.20535	2.2
331.22824	1.2
347.22186	3.7
349.23688	13.4
365.23187	44.8
366.23349	1.8
367.24631	2.6
387.25250	0.9
413.21442	1.4
461.28937	1.9
465.28320	1.8
477.28702	1.1
479.29709	1.3
519.32983	1.0
527.33820	1.4
541.34796	2.5
545.34589	15.3
546.34802	1.3
559.36255	69.9
560.36560	5.9
621.40771	1.3
622.71167	0.9
623.36011	1.0
639.42328	13.0
640.42401	1.5
657.43530	3.1
703.40161	1.6
854.45502	3.5
855.44171	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	854.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.1
65.03926	2.5
67.05495	50.3
69.03419	11.8
69.07060	39.3
69.48806	4.9
71.04417	0.7
71.04996	4.2
71.08647	1.1
73.02888	1.1
77.03889	1.1
78.98722	0.6
79.05482	41.0
80.05818	0.8
81.02976	0.9
81.03411	11.9
81.07046	51.1
82.07374	0.9
83.04971	8.5
83.08609	15.9
83.09100	0.9
85.02879	2.6
85.06527	2.3
91.05469	35.9
93.07030	41.1
94.04190	0.8
94.07342	1.1
95.01295	0.8
95.04360	0.8
95.04958	12.3
95.08596	23.3
97.02882	12.6
97.06521	11.6
97.10157	14.0
98.10442	0.6
99.04426	1.0
99.08074	1.7
103.05472	0.9
105.04505	1.1
105.07014	25.9
107.04944	13.7
107.05622	1.3
107.08578	25.1
109.02848	1.9
109.06506	6.7
109.10152	11.1
111.04424	1.7
111.08054	4.5
113.06005	0.7
115.05421	1.6
117.06998	13.5
119.04902	1.7
119.08560	20.5
120.08930	0.6
121.06494	6.5
121.10127	12.7
123.04436	1.2
123.08056	4.8
123.11682	3.4
125.09613	10.9
127.03917	1.9
128.06195	2.0
129.06949	5.6
130.07811	1.3
131.08551	17.0
133.06482	3.8
133.10114	16.0
134.07204	1.2
135.08051	5.4
135.11658	8.7
137.05963	0.8
137.09573	2.7
139.11110	1.3
141.06978	1.7
142.07780	1.3
143.08539	5.1
145.06396	1.5
145.10114	12.1
146.10522	0.7
147.08000	6.3
147.11653	7.9
149.09592	9.9
149.13246	6.8
151.07559	0.9
151.11183	2.8
153.09071	1.2
155.08498	1.5
157.10144	4.3
159.08025	1.8
159.11673	9.2
161.09596	2.8
161.13208	3.5
163.11140	6.7
165.09102	1.8
165.12650	0.9
167.08551	0.7
168.09570	0.6
169.10118	2.8
169.12198	0.9
171.10266	1.2
171.11661	4.2
173.09592	2.0
173.13216	3.9
175.11105	3.2
175.14845	0.9
177.12688	3.9
179.10677	1.2
179.14268	1.8
181.12314	0.7
183.11676	1.2
185.13261	1.9
187.11151	1.2
187.14784	1.4
189.09454	0.8
189.11197	6.3
189.12733	1.1
193.10349	0.6
193.12239	1.7
195.12050	0.8
195.13795	4.2
197.13306	1.3
199.11305	0.7
199.14760	0.7
205.12288	1.5
223.13261	16.2
227.12750	8.5
227.17937	1.0
229.19458	1.5
233.15364	1.0
239.17952	2.2
239.95369	0.6
245.13615	0.7
245.19012	1.6
249.14825	2.5
253.14386	3.0
255.15723	6.1
257.18961	5.2
267.15903	2.8
269.17447	16.4
273.15875	0.5
273.18448	15.5
275.20047	18.0
275.23105	0.9
291.19501	100.0
292.19894	4.7
293.21149	1.3
309.20541	1.9
318.84961	0.7
331.22598	1.6
347.22049	2.2
349.23697	15.3
350.23947	1.1
365.23203	37.4
366.23434	1.7
367.24719	1.9
413.21500	1.3
461.28906	1.4
499.39651	0.7
511.03955	0.8
527.33173	1.1
541.35303	1.3
543.36578	1.1
545.34717	13.9
546.34741	1.1
559.36230	46.3
560.36670	4.0
599.39087	1.1
621.41071	1.2
639.42529	16.7
640.42865	1.1
657.43512	3.0
852.38806	0.6
855.44141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.8
67.05494	85.8
67.53586	1.1
68.05816	1.3
69.03415	10.1
69.07059	33.5
70.06683	1.3
70.06960	5.4
71.04988	7.4
73.10896	1.2
79.05480	53.8
81.03408	13.0
81.07044	84.2
82.07386	1.3
83.04969	15.4
83.08609	12.1
85.02889	4.0
85.06538	5.4
91.05466	69.9
91.99825	1.0
93.07029	58.4
95.04426	1.6
95.04958	16.4
95.08591	34.1
97.02850	5.1
97.06509	15.7
97.10139	4.5
99.04432	2.0
99.08057	2.4
103.05456	2.7
105.07014	60.8
107.04926	11.9
107.08578	46.2
108.08913	1.2
109.02837	3.5
109.06493	12.6
109.10137	52.0
111.04408	2.0
111.08049	6.8
113.06009	2.0
113.09630	1.8
115.05409	2.8
116.06183	1.2
117.06998	17.2
119.05009	1.4
119.07767	2.3
119.08560	25.7
121.06480	11.1
121.10132	14.4
123.04373	1.6
123.08028	6.8
123.11678	12.0
125.09605	3.9
127.03900	3.7
127.07484	2.4
128.06207	2.5
129.05490	2.1
129.06992	7.5
130.07774	1.2
131.08553	21.5
133.06473	5.6
133.10112	75.1
134.10414	2.7
135.08025	10.8
135.11665	13.6
137.09572	4.8
141.06955	2.3
143.08551	9.1
145.06407	1.5
145.10094	17.2
147.08006	3.9
147.11659	11.3
149.09604	16.8
149.13237	6.1
151.11157	33.6
155.08510	2.9
157.10075	4.7
159.08073	1.8
159.11678	11.6
161.09589	9.4
161.13217	4.8
163.11172	10.5
165.12825	2.3
167.22958	1.0
169.10144	2.6
169.12193	5.3
171.11627	5.6
173.04431	3.5
173.09592	1.8
173.11864	1.1
173.13248	4.8
175.11163	4.4
177.09003	2.5
177.12741	4.1
179.10609	2.3
179.14297	3.0
181.10121	1.3
181.12263	2.4
183.11664	2.1
185.13213	2.6
187.11180	2.4
189.12717	2.3
195.13757	4.4
197.13258	2.0
199.11197	1.7
201.12701	1.9
201.16283	1.3
201.72450	1.3
203.14214	1.2
205.12256	1.2
209.11705	1.9
213.12822	1.3
215.12703	5.9
215.14565	1.2
217.12143	1.1
223.13129	1.3
227.12729	1.7
227.17998	2.1
229.19414	2.2
233.15346	1.4
239.17870	3.3
245.18929	3.5
247.20496	2.5
250.74622	1.4
251.12698	1.8
251.16438	1.3
253.14313	100.0
254.14740	2.9
255.15668	6.5
257.18976	7.5
263.20038	3.4
267.15900	2.0
269.17438	17.2
271.15472	3.3
273.18475	25.5
275.20004	24.0
291.19489	25.6
293.21173	1.4
309.20428	1.7
329.21005	1.8
347.22220	9.7
349.23715	18.3
365.23193	29.6
367.24557	3.3
447.27344	6.9
451.26788	3.3
463.26910	1.6
465.28421	12.9
527.33624	2.9
541.34839	6.5
545.34637	18.7
559.36249	37.1
560.36493	1.4
563.35663	1.3
621.41302	1.7
639.42548	11.4
657.42902	4.3
792.63031	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	854.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.8
67.05494	85.8
67.53586	1.1
68.05816	1.3
69.03415	10.1
69.07059	33.5
70.06683	1.3
70.06960	5.4
71.04988	7.4
73.10896	1.2
79.05480	53.8
81.03408	13.0
81.07044	84.2
82.07386	1.3
83.04969	15.4
83.08609	12.1
85.02889	4.0
85.06538	5.4
91.05466	69.9
91.99825	1.0
93.07029	58.4
95.04426	1.6
95.04958	16.4
95.08591	34.1
97.02850	5.1
97.06509	15.7
97.10139	4.5
99.04432	2.0
99.08057	2.4
103.05456	2.7
105.07014	60.8
107.04926	11.9
107.08578	46.2
108.08913	1.2
109.02837	3.5
109.06493	12.6
109.10137	52.0
111.04408	2.0
111.08049	6.8
113.06009	2.0
113.09630	1.8
115.05409	2.8
116.06183	1.2
117.06998	17.2
119.05009	1.4
119.07767	2.3
119.08560	25.7
121.06480	11.1
121.10132	14.4
123.04373	1.6
123.08028	6.8
123.11678	12.0
125.09605	3.9
127.03900	3.7
127.07484	2.4
128.06207	2.5
129.05490	2.1
129.06992	7.5
130.07774	1.2
131.08553	21.5
133.06473	5.6
133.10112	75.1
134.10414	2.7
135.08025	10.8
135.11665	13.6
137.09572	4.8
141.06955	2.3
143.08551	9.1
145.06407	1.5
145.10094	17.2
147.08006	3.9
147.11659	11.3
149.09604	16.8
149.13237	6.1
151.11157	33.6
155.08510	2.9
157.10075	4.7
159.08073	1.8
159.11678	11.6
161.09589	9.4
161.13217	4.8
163.11172	10.5
165.12825	2.3
167.22958	1.0
169.10144	2.6
169.12193	5.3
171.11627	5.6
173.04431	3.5
173.09592	1.8
173.11864	1.1
173.13248	4.8
175.11163	4.4
177.09003	2.5
177.12741	4.1
179.10609	2.3
179.14297	3.0
181.10121	1.3
181.12263	2.4
183.11664	2.1
185.13213	2.6
187.11180	2.4
189.12717	2.3
195.13757	4.4
197.13258	2.0
199.11197	1.7
201.12701	1.9
201.16283	1.3
201.72450	1.3
203.14214	1.2
205.12256	1.2
209.11705	1.9
213.12822	1.3
215.12703	5.9
215.14565	1.2
217.12143	1.1
223.13129	1.3
227.12729	1.7
227.17998	2.1
229.19414	2.2
233.15346	1.4
239.17870	3.3
245.18929	3.5
247.20496	2.5
250.74622	1.4
251.12698	1.8
251.16438	1.3
253.14313	100.0
254.14740	2.9
255.15668	6.5
257.18976	7.5
263.20038	3.4
267.15900	2.0
269.17438	17.2
271.15472	3.3
273.18475	25.5
275.20004	24.0
291.19489	25.6
293.21173	1.4
309.20428	1.7
329.21005	1.8
347.22220	9.7
349.23715	18.3
365.23193	29.6
367.24557	3.3
447.27344	6.9
451.26788	3.3
463.26910	1.6
465.28421	12.9
527.33624	2.9
541.34839	6.5
545.34637	18.7
559.36249	37.1
560.36493	1.4
563.35663	1.3
621.41302	1.7
639.42548	11.4
657.42902	4.3
792.63031	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	856.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
65.03922	1.8
67.05495	31.0
69.07070	8.2
69.31739	7.4
69.32161	6.1
71.05006	3.1
79.05479	25.0
81.03407	41.8
81.07044	19.0
83.04958	6.2
83.08609	12.4
85.02872	5.5
85.06543	3.2
91.03933	1.8
91.05476	16.9
93.07034	31.4
95.04949	15.9
95.08578	5.6
97.02873	3.6
97.06528	8.7
97.10149	6.3
99.08044	1.7
105.07039	10.5
107.04954	4.4
107.08574	20.7
109.06478	1.9
109.10139	3.6
111.08039	3.5
115.55753	1.4
117.06992	3.6
119.08565	10.6
121.06450	3.3
121.10126	5.7
129.06967	5.0
129.47556	1.4
131.08508	5.6
133.06470	1.9
133.10110	6.3
135.11682	24.0
135.14597	1.6
137.09598	2.3
145.05083	1.5
145.10112	5.8
147.08034	2.4
147.11699	2.8
149.09613	3.8
153.12717	1.5
157.06467	1.3
157.10120	5.7
163.11147	4.8
175.11182	5.6
181.12177	5.6
193.12216	10.9
211.13258	2.6
249.14847	2.2
255.15880	56.8
267.15878	37.7
268.16129	1.6
269.17474	2.3
285.16971	2.8
421.25751	7.7
447.27374	100.0
448.27612	6.2
461.28745	3.8
465.28293	4.0
479.29816	9.0
489.28174	2.9
497.31351	1.7
641.99457	1.4
679.98657	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	856.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	2.0
65.03926	4.9
67.05494	77.8
68.05812	1.4
69.03417	10.4
69.07058	41.1
71.01350	1.3
71.04992	7.8
73.02890	1.6
74.09712	0.9
74.16870	1.0
77.03920	1.7
79.05482	65.8
81.03411	19.0
81.07043	100.0
83.04970	16.9
83.08148	1.1
83.08609	18.3
85.02885	5.9
85.06532	5.4
87.04450	1.4
91.05466	60.7
93.07029	73.9
94.07342	1.1
95.01337	0.9
95.04948	16.4
95.08592	41.0
97.02867	7.5
97.06512	21.7
97.10163	9.2
99.04439	2.6
99.08067	4.1
103.05442	1.7
105.04483	1.2
105.07015	48.5
107.04936	11.9
107.08575	48.7
109.02853	2.9
109.06513	9.2
109.10136	17.3
111.04440	2.2
111.08058	9.7
113.09624	1.7
115.05445	3.4
116.06222	1.3
117.07001	22.7
119.04951	1.7
119.08562	36.9
121.06482	7.1
121.09312	1.5
121.10126	21.4
123.04359	1.1
123.08056	6.1
123.11687	7.0
125.09592	7.2
126.85587	1.1
127.03880	4.1
127.07547	1.2
128.06195	2.2
129.05460	2.0
129.06996	11.4
131.04872	1.1
131.08543	30.7
133.06509	3.0
133.10115	33.1
135.08026	6.8
135.11676	23.3
137.09547	5.5
137.13264	1.2
139.07507	1.6
139.11171	2.4
141.06998	3.6
143.08575	8.4
144.09325	1.8
145.04938	1.5
145.06461	3.7
145.10095	24.4
147.08029	3.4
147.11662	17.4
149.02336	2.3
149.09586	20.2
149.13248	13.6
151.11145	3.6
153.09016	1.5
155.08539	6.2
156.09225	1.0
157.10130	10.1
159.08049	2.0
159.11665	21.5
161.06142	1.0
161.09584	4.0
161.13205	5.4
163.11169	13.5
163.14830	1.9
165.09091	1.9
165.12668	2.9
167.08537	2.1
168.09222	1.1
169.10115	5.8
171.10344	1.5
171.11656	8.4
173.04431	3.8
173.09602	2.1
173.13217	9.1
175.11139	2.4
175.14749	1.8
177.12726	6.7
179.14326	4.9
181.10071	2.1
181.12302	2.2
183.11647	6.0
185.09692	1.2
185.13202	3.5
187.11145	2.9
187.14711	2.5
189.11198	2.6
189.12720	2.3
191.14255	1.2
193.04996	1.5
193.10191	1.2
193.12177	1.4
195.11771	1.9
195.13768	8.6
197.09523	1.2
197.13197	5.4
199.13173	1.2
199.14841	2.5
201.12579	1.9
201.16360	1.9
203.14247	2.0
205.12334	1.1
207.11661	1.4
209.13248	2.2
213.16524	1.9
219.13831	1.4
223.14793	1.2
227.12720	7.8
229.14259	2.0
229.19473	3.5
233.15384	1.7
235.16966	1.5
239.17998	6.0
245.13689	1.8
247.20526	3.3
251.16362	2.2
253.14313	2.7
253.18036	1.0
255.15765	16.4
257.18985	15.7
259.20667	1.5
263.20227	1.1
265.14209	1.2
267.15765	5.0
269.17426	42.6
275.20010	47.1
276.20331	1.3
293.17828	1.7
293.21121	4.3
303.15970	1.8
313.21567	1.2
321.24503	1.9
331.22650	3.5
349.23682	38.1
353.24686	1.2
365.23276	1.5
367.24792	7.0
395.20786	1.6
413.21625	2.4
419.28757	1.0
431.27921	1.8
433.30496	2.2
435.27368	3.0
445.29346	1.9
447.31094	2.3
449.28925	28.0
451.32132	1.7
463.30472	29.5
465.28488	1.2
469.32858	2.5
503.33496	1.4
511.34164	1.2
515.37030	2.2
525.35718	5.5
529.35126	12.8
543.36774	38.0
544.36853	1.9
547.35950	2.0
561.37744	8.1
607.34674	2.0
623.43250	7.1
641.43805	5.0
687.40912	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	856.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.1
65.03921	3.6
67.05495	78.8
69.03414	9.8
69.07060	41.0
71.01317	1.5
71.04974	7.4
71.08292	1.3
71.08645	2.9
72.45348	1.0
73.02889	1.8
75.95267	1.1
79.05486	67.0
81.03415	14.5
81.07046	100.0
83.04970	17.0
83.08610	18.4
85.02891	6.0
85.06545	5.4
91.04876	1.7
91.05469	53.3
93.07031	72.8
95.04955	18.1
95.08595	42.2
97.02871	5.9
97.06518	22.7
97.10143	10.9
99.04427	1.9
99.08068	4.3
103.05415	2.2
105.04520	1.7
105.07015	51.4
106.07341	2.0
107.04948	12.4
107.08582	44.0
109.02900	1.7
109.06499	9.8
109.10139	16.9
111.04446	1.8
111.08059	7.6
113.09670	1.8
115.05406	2.6
117.07008	25.2
119.04910	1.7
119.08564	37.7
121.06472	7.7
121.10125	23.7
123.04478	1.4
123.08047	6.2
123.11688	5.7
125.09656	6.3
127.03884	4.1
128.06219	3.1
129.05452	2.2
129.06996	8.6
131.08551	31.2
133.06439	2.2
133.10107	30.7
135.08017	7.1
135.11664	25.9
137.09607	3.6
139.07533	1.1
139.11217	2.7
141.06955	2.9
142.07809	1.2
143.08549	8.5
144.09274	1.4
145.06413	2.5
145.10120	22.9
147.08031	2.9
147.11674	17.9
149.09589	16.0
149.13260	19.4
151.11134	4.0
155.08521	4.5
157.10120	9.2
159.10388	2.1
159.11670	21.8
161.09628	3.0
161.13248	5.2
163.11150	14.3
165.12738	3.2
167.08598	1.6
169.10088	4.4
171.11708	8.3
173.04427	4.2
173.09595	2.9
173.13225	8.4
175.11125	2.0
177.12727	6.8
179.14307	4.3
181.10136	3.4
181.12170	2.6
183.11649	5.2
184.07101	1.2
185.13261	4.1
187.11124	2.8
187.14804	2.3
189.11189	2.0
195.12022	2.0
195.13782	10.3
197.13219	3.8
199.13104	1.4
199.14844	2.6
201.12775	1.6
201.16412	1.5
209.13177	1.4
211.14804	2.4
215.14395	2.4
215.17883	1.7
217.15753	1.4
227.12645	7.0
227.17992	1.4
229.14301	2.1
229.19499	3.4
239.17932	5.3
245.13760	1.9
247.16699	1.5
247.20535	4.1
251.16273	1.8
253.14282	2.8
255.15891	19.8
257.18967	14.1
267.15884	4.3
269.17456	52.5
273.18567	2.0
275.20020	55.4
291.19241	1.6
293.21024	6.3
303.15991	1.4
309.01685	1.3
321.24350	2.2
331.22610	4.1
349.23697	41.4
357.24213	1.4
367.24701	10.5
413.21951	1.8
433.30615	2.0
435.27295	3.4
445.29315	5.0
449.28992	31.3
451.31915	2.9
463.30524	43.6
464.31094	1.6
481.83563	1.5
503.32959	1.6
515.37390	2.7
525.35522	5.9
527.37805	1.3
529.35193	6.4
543.36707	37.1
561.37836	7.2
607.34601	2.5
623.42603	4.9
641.43475	4.6
659.44531	2.3
835.66504	1.3
856.44489	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.8
65.03934	3.6
65.15248	0.4
67.05497	100.0
68.05825	0.8
69.03416	3.2
69.07061	14.6
71.01353	1.4
71.04989	3.0
71.08624	0.5
71.45320	1.0
72.87001	0.4
73.02903	3.3
77.03917	0.8
79.05485	42.6
80.05819	0.5
80.16989	0.5
81.03411	9.1
81.07049	54.9
82.07369	0.6
83.01340	1.1
83.04975	6.6
83.08617	11.4
85.02892	10.2
85.06555	2.2
87.04468	3.2
87.92496	0.4
88.54614	0.5
91.03971	1.2
91.05471	25.2
92.05769	0.4
93.07033	38.4
95.04962	6.5
95.08597	32.9
96.08939	0.7
97.02872	5.0
97.06522	4.9
97.10159	11.3
99.04472	1.0
99.08041	0.9
103.03957	1.1
105.04508	0.8
105.07020	14.5
107.04948	2.4
107.07923	0.4
107.08581	22.7
109.06531	2.9
109.10143	45.8
110.10504	0.7
111.04440	1.4
111.08064	2.7
113.06050	0.5
115.05493	0.6
116.04729	0.5
117.07003	5.6
119.08570	11.4
121.06522	1.2
121.10127	12.2
123.08042	2.4
123.11683	4.0
125.09616	10.3
127.11224	0.5
129.05487	2.3
129.07007	2.0
130.07816	0.5
131.08557	9.2
131.09497	0.7
133.06453	0.4
133.10117	5.6
135.08102	1.3
135.11671	9.2
137.09604	3.0
137.13266	0.8
139.11139	0.6
143.08623	1.0
143.10719	1.0
145.10107	7.2
147.08047	0.9
147.11673	4.6
149.09639	1.2
149.13257	3.6
151.11153	0.5
152.01312	0.5
153.12772	2.2
155.08601	0.7
155.10684	2.1
157.08743	0.6
157.10172	1.4
159.10493	0.6
159.11682	3.5
161.13231	2.5
163.11177	5.2
163.14865	1.7
165.12782	1.1
168.23117	0.5
171.11678	0.9
173.09607	0.9
173.10080	0.8
173.11760	11.8
173.13292	3.1
175.11217	0.5
175.14870	1.1
177.16365	0.8
181.12262	1.2
185.13307	0.6
185.97563	0.4
187.14882	1.5
189.11246	0.6
189.16362	0.7
191.10732	1.7
193.12357	1.4
197.13258	0.5
199.13216	3.9
199.14876	0.4
201.16498	0.9
209.11711	3.6
209.13371	0.5
211.13297	1.0
217.14296	0.6
227.12718	4.1
229.14320	26.6
230.14601	0.7
243.21053	2.7
257.13849	0.6
259.20709	0.6
261.22128	9.7
267.13492	0.5
267.15891	2.3
277.21585	0.6
283.15512	1.8
285.17081	0.5
301.16422	8.0
301.19501	0.6
315.23618	0.6
317.24927	1.5
335.25766	43.3
336.26297	1.4
351.25238	0.6
363.25443	1.1
389.26779	0.5
395.61383	0.5
399.23740	9.5
407.27484	0.5
415.32733	0.5
477.35797	3.1
489.35724	9.1
490.36588	0.6
517.73566	0.6
543.36707	0.8
561.37909	3.3
579.39093	1.0
609.00262	0.5
659.45001	9.9
660.45715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.6
65.03923	4.5
67.05494	80.1
69.03409	4.0
69.07057	25.3
70.79792	3.8
71.04978	9.2
78.14259	1.2
79.05479	55.3
81.03396	11.8
81.07040	80.3
82.07370	1.5
83.04973	8.1
83.08595	14.3
85.02879	3.2
85.06498	4.1
85.40876	1.2
91.05462	43.1
91.24352	1.3
93.07026	65.8
95.04951	10.9
95.08592	47.1
97.02873	2.9
97.06512	12.0
97.10145	5.7
99.08077	3.1
103.05412	2.3
105.04489	1.4
105.07014	32.9
107.04927	3.8
107.08575	34.0
109.06493	5.6
109.10132	31.6
111.04449	1.7
111.08069	7.0
115.05452	1.6
117.06981	15.6
119.08556	25.2
121.06464	3.3
121.10111	27.3
123.08063	3.6
123.11658	7.2
125.09593	4.5
127.03890	1.5
127.07487	1.5
129.06985	4.6
131.08557	21.7
133.06485	1.5
133.10103	18.9
135.08047	4.4
135.11665	12.8
137.09596	2.2
141.06970	1.7
143.08528	4.0
145.10109	15.8
147.11668	9.5
149.09605	6.0
149.13202	11.9
151.11115	1.8
155.08453	1.6
157.10075	4.8
159.11673	16.0
161.13231	5.5
163.11186	3.7
163.14796	2.4
165.12672	2.3
169.10039	2.4
171.11583	3.3
173.11682	4.1
173.13252	6.9
175.11111	1.5
175.14842	2.4
177.12730	4.2
183.11671	3.5
185.13196	2.4
187.14806	4.2
195.13741	2.6
197.13420	1.5
201.12921	1.3
201.16356	1.3
206.80196	1.2
213.14792	1.7
217.15866	1.6
227.12781	3.8
229.14316	18.5
239.17822	3.1
243.21092	2.4
247.20570	1.6
257.18945	5.5
261.22101	9.7
265.14914	1.4
267.15842	5.6
269.17438	10.1
272.10822	1.7
275.20007	19.7
292.71564	1.2
293.21082	1.4
317.24734	2.0
331.22800	2.3
333.24176	2.1
335.25754	62.0
336.25983	2.0
339.17963	2.2
349.23624	16.2
381.26132	2.1
405.26459	1.5
413.21707	6.8
437.33896	2.2
457.28552	1.4
489.35660	11.8
511.37732	2.7
515.37280	1.8
527.37115	2.0
529.38800	100.0
530.38904	4.9
545.37720	2.4
569.41779	12.6
570.13409	1.5
609.35968	2.0
609.45087	27.1
610.45093	1.9
627.45782	2.1
637.40619	1.5
641.47693	10.4
655.42212	2.6
673.42999	11.4
691.44098	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	857.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17217	0.2
69.07060	0.3
70.66523	0.8
95.04953	0.5
96.04423	0.3
108.04475	1.8
108.32687	0.2
117.70341	0.2
119.58682	0.2
122.05984	0.5
136.07562	0.3
138.05460	1.0
140.07066	1.1
146.05974	0.7
147.04373	0.4
148.07536	1.1
150.05423	0.4
163.03918	0.4
166.04909	0.7
166.08662	0.4
168.06535	2.8
174.05482	0.7
181.08922	0.2
196.11188	0.4
199.08727	0.4
204.06490	0.4
206.08105	0.6
210.11406	0.3
211.08653	4.0
211.12224	0.9
212.09283	1.2
213.10255	1.1
221.10631	0.7
222.09122	0.9
222.11305	0.3
223.08682	0.4
223.12299	0.6
224.10970	1.6
225.10190	4.5
226.10841	0.7
227.11621	0.3
229.09503	0.3
239.07990	0.6
239.09216	0.4
239.11749	7.4
239.14168	0.5
240.08788	0.3
240.10320	0.2
240.12497	0.7
241.09683	1.3
241.13382	1.1
249.10159	0.9
250.08574	1.4
250.10892	0.5
251.08189	0.7
251.11734	0.3
252.08600	1.6
253.09662	4.7
254.10280	0.7
255.11186	0.4
257.12802	1.0
267.11252	11.2
268.09470	0.4
268.11972	0.6
269.09784	0.3
269.12823	1.3
269.15503	0.2
277.09744	0.4
278.08304	0.2
280.08347	0.5
281.09317	0.4
284.11493	0.6
285.09186	0.3
285.12283	1.6
295.10715	6.0
297.12405	0.5
313.11780	34.2
314.12158	1.7
323.10251	0.7
327.13281	0.5
341.11301	8.3
342.11572	0.6
355.12961	1.3
359.12302	3.8
373.13898	100.0
374.14240	4.6
375.15186	0.4
417.11816	0.7
627.23669	0.4
645.25623	0.9
659.27045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01355	3.5
61.02911	11.5
62.36288	3.6
65.03922	4.8
67.05494	54.8
67.18494	3.4
68.43221	3.9
69.03410	13.1
69.07050	11.6
71.04991	5.8
71.12269	7.7
71.12607	6.2
73.02911	5.5
79.05492	53.6
80.05835	3.9
81.03411	82.4
81.07050	60.1
83.04948	21.1
83.08617	37.9
85.02895	36.3
85.06551	7.3
86.09708	3.6
87.04444	8.6
91.03967	4.9
91.05473	67.9
93.07039	35.9
95.01306	11.5
95.04961	51.7
95.08580	26.8
97.02905	18.7
97.06502	9.1
97.10166	9.8
99.00835	6.3
105.07020	47.8
107.04944	21.5
107.08578	21.9
109.02863	9.6
109.06490	15.2
109.10207	18.3
111.08067	18.0
113.05985	7.5
117.06985	12.8
119.04964	5.5
119.08573	45.1
121.06475	16.5
121.10095	12.8
123.04407	11.6
123.08023	9.5
127.03909	5.7
129.06982	26.6
131.04932	7.2
131.08543	24.8
133.06483	9.7
133.10124	48.0
135.04398	11.2
135.08063	9.1
137.06029	5.6
137.09711	6.0
139.03870	5.6
143.08575	9.5
145.06447	7.9
145.10124	10.6
147.04359	20.2
147.08025	9.8
147.11679	26.4
149.09575	14.8
151.03885	13.7
151.11148	6.3
155.08511	5.9
157.10101	29.6
158.71643	3.7
158.86288	4.7
159.11636	6.0
161.05978	6.5
161.09618	11.0
161.13234	3.7
163.03856	9.2
165.12692	4.0
169.04965	6.5
171.08058	5.3
171.11592	5.1
173.05931	8.9
173.09529	6.0
173.11723	6.5
175.03903	8.6
175.11235	20.4
179.03288	9.1
184.07271	5.8
185.09546	6.3
187.11147	6.9
189.09116	7.6
193.12230	52.1
197.09708	4.4
199.11140	4.9
203.03407	5.3
205.12251	5.1
211.13258	58.2
215.10622	4.2
217.12163	6.1
225.09068	6.0
227.10732	6.2
233.11630	5.2
237.86337	4.0
245.11717	4.8
259.13272	5.0
267.15881	58.3
269.11691	6.7
285.16907	59.2
287.12701	27.5
289.14240	7.5
299.14865	44.1
305.13812	12.3
315.12289	13.3
333.13251	25.5
351.14288	11.1
369.15591	5.3
407.16818	34.5
425.17902	19.3
438.48514	4.7
443.18854	8.2
459.27661	7.2
477.28464	7.9
491.26401	16.8
509.27484	84.0
557.27399	11.8
591.32178	4.6
599.28491	60.1
617.29364	76.8
635.30554	100.0
636.31647	7.8
653.31665	39.2
670.73828	4.6
695.02612	4.5
725.35443	5.5
757.20764	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	870.432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	17.8
67.05498	55.6
69.03396	16.0
69.07061	15.1
71.57414	7.4
73.02901	11.2
79.05482	42.3
81.03410	93.5
81.07040	44.5
83.04972	22.8
83.08601	44.2
85.02908	39.0
91.03933	9.3
91.05467	47.2
93.07033	39.4
95.04948	48.5
95.08585	25.8
97.02884	21.9
97.06530	13.2
97.10146	18.5
105.07008	31.4
107.04916	12.2
107.08578	23.4
109.06509	10.8
109.10146	19.4
111.04414	9.1
111.08050	23.8
113.05980	5.5
117.07019	8.3
119.08556	31.4
121.06496	6.1
121.10126	24.7
123.08058	12.7
125.09589	10.9
129.05457	22.2
129.07014	13.4
131.08537	22.6
132.28488	5.1
133.06509	8.0
133.10103	27.9
135.11630	10.2
145.05029	5.2
145.10065	12.6
147.11662	20.0
153.12865	5.7
154.77895	4.8
157.10126	13.6
163.11156	16.1
175.11162	27.2
181.12117	8.4
184.07312	10.5
189.11235	7.5
193.12195	84.8
199.13274	16.3
209.11774	10.7
211.13264	100.0
227.12735	17.5
267.15918	40.5
283.15292	31.0
285.16919	72.4
301.16367	45.3
330.57782	7.1
339.38400	5.1
439.26791	19.8
459.27356	6.5
475.26892	14.3
493.27875	37.9
494.28622	11.5
511.28976	69.6
514.73401	6.2
732.51025	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	870.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.7
65.03914	1.1
67.05492	26.6
68.05829	0.9
69.03413	2.1
69.07059	9.1
71.04978	3.2
71.53764	0.8
71.54172	0.7
73.02907	1.2
79.05478	19.0
81.03404	49.2
81.07040	36.4
82.07364	1.0
83.04983	5.3
83.08606	14.8
85.02892	2.7
85.06532	2.4
91.03938	1.9
91.05463	16.5
93.07026	27.0
95.04954	17.2
95.08579	10.7
97.02869	2.8
97.06509	5.5
97.10163	2.5
99.04457	0.9
100.35291	0.7
105.07018	10.9
107.04951	3.6
107.08578	14.7
109.06511	2.4
109.10139	2.9
111.04432	1.2
111.08065	7.0
117.06977	4.9
119.08569	10.0
121.06485	2.8
121.10136	8.5
123.04411	1.5
123.08025	1.6
123.11722	1.3
125.09637	1.7
129.06987	4.6
131.08549	9.7
133.06458	2.2
133.10112	8.3
135.08026	2.2
135.11652	5.5
137.09572	0.8
142.07750	1.2
145.06526	0.7
145.10109	1.8
147.04366	0.8
147.08047	2.2
147.11652	4.8
149.09639	2.7
149.13216	11.5
157.10120	6.4
159.08049	0.9
159.11668	6.5
163.05988	0.8
165.12708	1.7
169.10168	0.8
175.11140	5.5
177.12723	3.1
179.04980	0.7
189.05641	0.9
189.12773	0.8
191.54930	0.7
193.12224	13.9
195.13773	6.2
196.91577	0.8
211.13280	1.5
213.14894	1.1
249.14728	1.4
266.91675	0.7
267.15872	45.7
268.16232	1.2
269.17441	41.0
270.17825	1.1
301.14600	1.4
310.26993	0.8
369.24557	1.8
387.25171	0.8
435.27502	4.2
443.27924	3.7
461.28925	100.0
462.29202	5.2
479.29956	2.8
503.29971	3.3
511.32614	1.0
569.31311	1.1
587.32159	2.0
605.32849	1.6
809.38898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.2
65.03906	1.0
67.05496	38.6
68.05826	1.4
68.21074	0.5
69.03412	1.8
69.07058	11.6
71.01313	1.4
71.04985	3.6
71.53307	1.1
73.02905	1.9
79.05480	29.5
81.03396	2.5
81.07046	28.7
83.04978	8.1
83.08595	4.0
85.02889	7.0
85.06521	1.5
91.03952	3.6
91.05466	14.1
93.07030	42.2
94.07359	1.0
95.04949	5.3
95.08595	20.6
96.81061	0.6
97.02869	3.6
97.06514	7.0
97.10158	5.0
99.04438	1.1
99.08038	1.2
105.04517	0.8
105.07016	7.5
107.04934	1.0
107.07854	1.3
107.08582	23.4
109.06511	1.3
109.10148	8.9
111.08051	1.3
117.06982	4.3
119.08564	6.8
121.10124	12.1
123.11692	2.2
125.09594	1.5
127.03911	1.1
129.07011	0.9
131.08551	4.7
133.10117	6.2
135.11671	31.4
136.12013	0.7
137.13101	0.7
143.08617	0.7
145.04939	1.7
145.10083	8.3
147.11656	3.0
149.13234	3.6
151.11215	0.7
153.12732	2.8
159.11673	2.8
161.13261	1.9
163.05959	1.6
163.11163	4.6
163.14792	1.8
173.13258	2.2
175.14784	1.0
181.12192	7.2
184.07323	0.8
187.14819	1.5
199.13263	1.7
227.12772	1.5
227.20007	0.8
232.82654	0.7
243.21112	2.5
253.14235	1.5
255.15881	53.5
256.16220	1.6
259.20636	0.7
261.22104	9.8
317.24808	2.6
335.25742	48.9
336.26114	1.9
423.32510	2.2
441.33566	2.1
459.34555	1.4
497.36234	1.2
502.64990	0.6
515.37262	100.0
516.37598	6.8
533.38202	4.8
653.72235	0.7
705.18359	0.7
874.46002	1.7
875.45026	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	880.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	7.8
65.03924	0.6
67.05500	10.8
69.03407	2.1
69.07061	5.6
69.41664	4.5
69.42078	1.4
71.04972	1.6
71.08622	13.2
72.95027	0.6
73.02909	2.9
74.21964	0.6
75.00063	0.5
79.05480	8.1
81.03412	5.5
81.07052	13.5
82.73379	0.6
83.01329	5.2
83.04975	4.9
83.08126	0.7
83.08611	10.4
85.02410	0.7
85.02904	12.1
85.10176	7.4
89.06026	0.7
91.03954	6.6
91.05460	5.3
93.07032	11.4
95.04942	2.6
95.08591	12.4
97.02882	6.7
97.06505	2.7
97.10151	2.5
99.04434	1.7
105.07042	3.7
105.07619	0.7
107.04950	3.5
107.08585	6.7
109.02853	0.7
109.06495	4.3
109.10143	5.1
111.04420	1.6
117.06973	3.9
119.08557	3.8
121.06454	1.4
121.10131	4.1
121.78182	0.6
123.08067	4.7
123.11693	1.9
125.05997	1.2
125.09624	0.7
127.03896	2.5
129.06995	0.9
130.07843	0.8
131.08543	2.0
133.10167	0.9
135.08061	0.7
135.11667	7.1
137.09581	0.8
137.13187	0.6
139.11127	0.8
145.04912	3.3
145.10103	7.5
147.08040	1.4
153.12726	0.9
153.49779	0.6
155.08517	1.1
163.06010	3.7
163.11169	14.5
173.09645	2.1
181.12186	2.0
191.10640	2.0
209.11688	3.9
226.95099	0.6
227.12744	2.7
239.23715	1.5
257.24680	1.9
282.56906	0.7
283.15366	100.0
284.15726	2.7
313.27325	74.1
314.27618	2.7
404.52130	0.6
427.19727	0.7
431.19156	0.6
521.38336	51.7
522.38434	2.7
602.05908	0.6
667.06140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.8
67.05494	12.8
69.03386	1.4
69.07059	8.9
69.38927	5.6
71.04942	2.0
71.08621	17.0
71.08983	0.7
73.02874	2.5
79.05483	14.7
81.03359	1.5
81.07047	21.7
83.04932	2.4
83.08601	12.3
85.02894	4.3
85.06505	1.1
85.10173	9.7
89.06000	1.0
91.03910	2.7
91.05463	4.2
93.07030	21.3
93.99866	0.6
95.04963	3.5
95.08591	37.3
97.02866	5.5
97.06483	2.7
97.10152	4.3
99.04453	3.4
103.07547	0.9
105.06385	0.6
105.07009	4.2
107.04955	6.2
107.08574	20.1
109.06473	1.6
109.10136	7.8
109.91778	0.6
111.04385	1.2
111.08002	1.2
111.11662	0.8
113.05959	0.7
117.06982	5.3
119.07905	0.5
119.08559	6.5
121.06495	3.1
121.10117	10.3
123.11654	2.3
125.05932	2.0
127.03844	0.8
130.07750	1.6
133.10057	2.0
135.07983	1.3
135.11670	38.3
137.13173	0.6
139.07561	1.2
143.08481	0.8
145.04959	0.8
145.10095	22.6
159.88730	0.6
163.06029	1.0
163.11157	50.7
164.11484	1.3
181.12195	9.9
209.11716	1.3
227.12746	55.9
228.13113	1.2
239.23611	2.0
254.42636	0.6
257.24713	1.5
267.16086	0.6
283.15350	92.9
284.15637	2.1
313.27313	90.5
314.27692	2.9
337.99777	0.6
363.21854	0.6
501.62775	0.8
521.38306	100.0
522.38538	5.6
692.41180	0.6
695.87244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94427	1.0
82.99849	1.3
84.03867	1.2
96.83516	1.2
101.00892	3.8
119.01898	15.5
121.02888	2.5
127.03905	1.4
131.01874	4.1
137.02946	2.3
137.07343	1.2
143.01871	11.6
145.03468	7.1
155.01894	8.9
157.03458	3.7
161.02940	17.7
162.02997	1.3
163.04457	1.1
166.01422	1.2
167.01952	5.9
169.03476	3.2
171.05025	2.2
172.01398	2.0
173.02939	17.4
178.01459	2.8
178.51547	2.6
179.01561	2.1
184.01460	5.8
184.51424	7.6
185.01349	4.2
185.02936	32.8
187.04517	4.3
190.01436	2.1
190.51488	3.3
191.01382	3.1
191.04019	1.3
195.04973	2.4
197.02919	18.6
199.01990	2.4
200.01892	2.3
203.02136	2.4
203.03973	10.8
205.01952	1.9
211.04585	2.2
215.02251	1.8
215.04019	12.4
220.52484	1.5
221.02928	6.8
221.05074	4.1
227.04099	6.9
233.02910	1.4
235.53128	2.2
236.02940	1.6
239.03989	8.0
239.06137	3.2
245.05055	100.0
246.05223	5.1
251.03409	1.5
256.88702	4.5
257.05063	11.9
263.03613	2.1
263.06119	21.1
266.03995	2.3
275.06122	45.2
276.06348	1.9
281.04813	2.4
287.06055	2.4
291.76971	1.5
293.07156	5.3
295.04773	1.5
295.55569	1.2
296.05151	2.1
297.33154	1.2
298.07370	1.2
305.07138	18.1
316.90616	1.9
317.07278	7.8
335.08301	5.7
346.56845	2.8
347.07849	4.8
359.08276	3.9
365.09274	31.6
376.07681	2.9
376.57700	3.8
377.08661	6.2
377.57843	1.2
383.10123	3.5
397.58093	2.7
398.08173	2.1
407.09967	2.3
425.11380	54.9
426.11670	3.2
427.59808	2.7
428.09241	3.2
437.11319	3.9
455.12506	8.5
457.10385	2.2
457.60516	3.4
458.10181	6.3
458.60260	2.8
485.13217	5.5
527.15082	1.5
538.62408	1.6
539.06580	2.1
539.14557	32.8
539.22821	1.3
540.14307	3.2
545.15540	1.9
547.63330	1.6
772.55511	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	882.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	0.8
67.05495	18.3
67.94967	0.3
68.05780	0.3
69.03120	0.3
69.03418	3.6
69.06721	0.6
69.07058	8.4
70.11638	1.1
71.04986	3.1
71.08624	18.7
73.02906	2.8
73.06535	0.4
75.04497	0.3
76.55936	0.3
79.05484	13.8
81.03408	40.4
81.07047	23.6
83.04479	0.5
83.04972	9.8
83.08608	20.1
85.02893	25.8
85.06505	1.1
85.10170	10.7
87.04437	0.9
89.06001	1.2
91.03389	0.5
91.03946	7.1
91.05466	17.8
92.05811	0.4
93.06470	0.5
93.07033	10.3
95.04957	15.5
95.08595	18.8
96.39361	0.3
97.02882	8.5
97.06523	2.2
97.10152	5.1
99.04427	0.8
99.08058	1.0
99.11722	0.8
103.07563	0.8
105.07021	13.5
106.07270	0.4
107.04929	4.0
107.08580	4.4
109.02851	0.6
109.06506	2.8
109.10142	7.2
111.04420	1.3
111.08066	7.3
111.11672	0.6
113.06026	1.6
115.05447	0.9
117.05419	0.4
117.06991	1.1
117.09042	0.4
119.04873	0.4
119.08571	11.2
121.06445	1.1
121.10132	6.1
123.08036	1.5
123.11704	3.5
125.09648	0.9
127.03909	2.5
127.07495	0.5
129.06982	8.3
131.08556	7.0
133.06465	1.7
133.10109	7.4
137.09566	1.5
137.13231	1.4
142.07800	1.9
145.04935	2.4
145.10060	0.8
147.08026	2.3
147.11668	10.5
149.09618	4.6
151.11157	0.3
157.10104	9.0
163.06010	3.2
163.11115	0.7
165.12749	2.1
175.11166	9.5
175.12668	0.5
187.16832	0.4
193.12216	30.9
194.12578	0.6
211.13269	49.2
212.13586	1.2
229.14209	0.4
239.23586	1.8
249.14973	0.4
257.24802	1.1
267.15900	17.4
280.59238	0.3
285.16928	68.5
286.17258	2.0
301.88028	0.4
313.27322	68.5
314.27490	2.3
381.53302	0.4
462.71283	0.4
468.13065	0.4
505.38828	14.4
506.39114	1.1
523.39880	100.0
524.40295	5.7
667.44135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50828	0.9
67.05495	9.9
69.03414	2.4
69.07068	5.6
70.61076	1.5
70.61450	1.4
71.04977	1.6
71.08622	11.2
73.02879	1.0
79.05491	8.4
81.03405	26.4
81.07047	15.7
83.04952	5.5
83.08607	14.6
85.02898	13.4
85.10168	7.3
87.04470	1.1
91.03928	5.3
91.05469	9.5
93.07037	6.4
95.04958	9.6
95.08587	11.3
97.02863	3.9
97.06519	1.4
97.10157	3.3
105.07025	6.5
107.05016	1.1
107.08582	3.0
109.06452	1.1
109.10152	5.8
111.08067	3.0
113.05962	1.1
113.81015	1.0
119.08556	6.0
121.10131	3.4
123.08064	1.6
123.11678	3.0
126.48882	1.0
127.03876	1.4
129.06984	3.5
131.08549	3.4
133.06488	1.6
133.10097	4.2
145.04916	1.6
147.11650	4.8
149.09616	3.0
157.10095	5.9
163.06018	1.4
165.12720	1.6
175.11150	6.5
179.62737	1.1
193.10583	1.7
193.12242	19.2
193.13991	1.1
197.42900	0.9
203.95517	1.0
211.13272	28.1
239.23532	1.3
267.13235	1.5
267.15887	13.6
285.16928	30.2
291.04562	0.9
313.27319	36.5
314.27524	1.7
505.39044	8.6
523.39868	100.0
524.40192	4.1
607.39264	1.0
858.55249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	13.7
69.03414	2.8
69.07056	7.2
71.04971	2.9
71.08618	14.3
71.53545	0.9
71.53924	1.2
73.02911	2.3
73.38503	1.1
79.05476	8.0
81.03404	22.5
81.07046	15.8
83.04980	5.0
83.08609	12.8
85.02894	17.4
85.10163	8.5
87.04458	1.5
91.03932	5.6
91.05468	11.2
93.06567	0.8
93.07052	6.6
95.04948	9.0
95.08022	1.6
95.08588	13.2
97.02869	4.2
97.06513	1.4
97.10155	3.2
105.07002	8.3
107.04928	3.4
107.08569	2.8
109.06510	2.0
109.10144	5.1
111.08074	3.8
111.38726	0.9
113.05940	1.1
119.08556	8.2
121.06474	0.9
121.10141	2.9
123.11671	2.1
127.03921	2.0
129.07004	3.1
131.08557	3.6
133.06505	1.4
133.10110	4.9
137.09569	1.0
142.07747	1.5
145.04901	1.2
147.08009	1.0
147.11679	5.2
149.09583	2.7
157.10138	5.3
163.05989	1.5
165.12677	1.1
166.59163	0.8
175.11157	4.5
193.12219	18.2
211.13271	24.1
239.23630	1.4
267.15857	12.2
284.14880	1.0
285.16916	40.1
286.17056	1.0
313.27316	70.1
314.27701	3.5
329.20709	1.2
505.38815	16.5
506.38730	1.4
523.39893	100.0
524.40082	7.5
591.86951	1.1
846.44830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.5
68.99783	11.3
69.03403	1.5
71.53848	2.4
73.49622	1.2
81.03399	3.2
83.04941	2.7
87.13209	1.3
89.03936	1.7
91.05492	2.0
95.04961	2.3
96.90405	1.3
99.04411	1.6
105.03367	1.8
107.04935	3.7
109.02862	4.5
111.00782	10.4
111.04412	5.0
115.05409	1.7
119.04957	1.3
121.02861	2.5
123.04410	39.3
127.03896	100.0
131.04912	2.7
133.02789	2.6
135.04385	31.9
137.02310	2.3
139.03874	64.3
147.04390	12.1
149.02310	4.0
149.05980	2.4
151.03880	28.5
153.05444	1.5
155.03358	3.8
155.04727	1.2
159.04405	3.4
161.05962	3.5
163.03879	40.0
165.05420	4.5
165.06700	1.7
166.05251	1.2
167.03375	4.6
169.04996	2.5
169.06433	2.1
171.04283	2.3
173.05988	2.6
175.03838	11.9
177.05424	8.6
178.31053	1.6
179.03371	34.2
181.04948	2.2
181.06459	1.5
185.05939	3.5
187.03889	5.3
189.05482	4.8
191.03368	9.8
193.04918	2.8
197.05997	2.0
197.37448	1.3
199.03862	4.3
201.05466	5.5
203.03384	21.3
205.04936	1.8
213.05418	5.2
215.03351	3.1
215.06996	2.2
217.04918	7.9
229.04904	10.9
231.06387	2.5
233.04424	4.4
241.04886	4.6
243.06409	2.0
245.04416	80.6
246.04715	1.5
247.05995	16.8
255.06490	3.3
257.04367	14.9
259.06009	8.7
261.07574	1.4
263.05438	26.3
265.04984	1.8
267.06418	1.7
269.04477	7.4
270.82095	1.4
271.05978	10.8
273.07626	1.8
274.04602	2.6
275.05438	23.0
277.06970	1.8
281.04410	3.7
283.06000	9.5
285.07257	1.8
287.05444	41.0
289.07025	17.1
291.08630	10.7
295.05826	2.9
297.03836	2.3
299.05371	9.0
301.07025	9.7
303.08585	2.5
305.06366	7.8
309.03632	1.7
323.05402	2.5
331.08096	1.7
351.04858	3.3
361.07019	2.4
365.06403	2.0
379.08105	3.6
383.07587	2.9
386.32755	1.5
389.06738	2.2
393.05930	4.4
405.06003	3.9
407.07529	27.6
409.09113	17.3
411.10910	2.1
413.08554	4.3
419.07455	5.5
421.09183	2.1
423.07101	1.8
425.08594	12.2
427.10165	10.7
437.08560	5.2
449.08484	4.1
450.49817	1.6
451.09982	3.7
467.09369	2.7
543.09033	1.6
545.10480	3.7
557.10925	2.3
575.11743	1.9
579.14777	2.4
587.11926	1.8
593.12524	2.0
695.13141	2.2
713.14618	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	883.206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	3.0
68.99773	9.3
70.66284	7.9
75.38174	1.9
83.04951	2.5
107.04922	5.7
109.02846	3.7
111.00764	13.1
111.04415	13.3
121.02928	3.8
123.04414	61.9
127.03895	73.0
135.04387	44.9
136.04799	2.1
137.02330	3.6
139.03883	81.7
140.04333	2.6
147.04390	7.5
149.02309	10.2
151.03879	45.0
155.03401	2.8
161.05965	2.0
163.03885	39.7
165.05461	7.3
167.03363	4.6
169.06387	2.8
173.05989	3.3
175.03880	7.8
177.05478	6.7
179.03369	38.9
181.04973	4.1
185.05975	3.7
187.03906	6.0
189.05461	7.5
191.03400	12.4
193.04991	4.5
195.05435	1.9
196.95898	2.2
201.05432	7.0
203.03352	24.1
205.04945	4.7
211.03772	2.6
215.03407	3.5
217.04971	3.6
223.02394	3.2
229.04869	11.6
230.05385	2.2
231.06497	6.6
233.04504	7.0
241.04956	6.1
243.06445	3.6
245.04419	100.0
246.04794	3.6
247.05946	51.3
247.08386	2.6
253.04906	3.9
255.06729	2.3
257.04367	21.7
258.04791	2.2
259.05899	10.0
261.07626	4.5
263.05475	12.2
265.09927	1.8
269.04459	7.7
271.05948	14.1
275.05441	35.1
276.05695	2.0
281.04599	3.2
283.05917	5.9
287.05460	45.3
289.07013	25.6
291.08633	15.1
297.03958	3.6
299.05524	13.2
301.07083	4.7
305.06595	13.9
311.05676	2.6
317.06570	15.2
328.39957	2.2
329.06558	2.9
349.06442	2.6
351.04840	2.9
364.72000	2.1
389.06247	2.1
393.06006	6.4
397.09100	10.5
399.06781	2.3
405.06039	8.6
407.07666	6.6
407.35416	2.0
409.09064	7.4
419.07788	2.6
421.09378	3.0
423.07037	21.4
425.08694	14.1
426.08691	2.1
427.10263	6.8
435.06696	3.3
437.09021	4.0
441.08026	7.5
443.09720	20.6
451.09705	2.2
453.08102	8.8
545.10321	2.8
557.10889	3.4
595.13928	4.4
710.23163	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	886.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.2
67.05494	14.3
69.03417	3.1
69.07041	3.2
69.97808	1.7
69.98231	0.9
71.04957	1.9
71.33153	0.4
73.02902	0.9
79.05479	14.7
81.03404	62.6
81.06567	0.8
81.07039	13.8
82.03733	1.1
83.04961	6.7
83.08605	16.9
85.02412	0.7
85.02895	9.4
85.06533	0.9
91.03935	1.5
91.04889	0.5
91.05468	18.6
93.07033	10.1
95.04955	21.8
95.08586	6.0
97.02869	3.3
97.06511	2.3
97.10165	4.0
99.08129	0.7
103.05393	0.5
104.42296	0.4
105.07008	13.6
107.04943	6.3
107.05622	0.7
107.08570	5.7
109.06512	3.8
109.10139	2.9
111.04459	2.1
111.08064	7.0
113.06017	0.6
115.05440	1.4
117.07001	1.5
119.04919	0.8
119.08561	13.4
121.06499	4.2
121.10122	6.2
123.04454	0.7
123.08047	2.7
123.11703	0.9
125.09625	2.9
127.07635	0.4
128.06168	0.5
129.06989	8.1
131.04930	0.7
131.08542	9.6
133.06442	3.4
133.10117	6.2
135.08022	1.2
135.11656	1.0
137.05956	0.8
137.09607	1.4
141.06978	0.5
142.07736	2.3
143.08554	1.4
145.04823	0.4
145.05299	0.5
145.06458	5.0
145.09108	0.4
145.10115	2.2
147.08041	3.6
147.11656	9.4
149.09601	4.1
151.11171	0.4
153.09152	0.4
155.08493	0.9
157.06480	1.0
157.10104	10.6
159.08018	0.9
159.11693	0.7
161.05974	0.9
161.09607	0.8
163.06024	0.8
163.11166	1.4
165.12711	2.5
167.08508	0.6
169.10150	0.9
171.08026	1.5
171.11636	1.2
173.05956	0.6
175.11148	10.6
177.12720	0.5
181.10159	0.5
183.08018	0.6
183.11697	0.5
185.09581	0.7
185.13245	1.0
187.11116	0.5
189.11162	1.2
189.12691	0.8
193.12212	29.0
195.11646	1.2
197.09476	0.5
197.13258	0.7
199.11134	0.5
203.14302	0.5
205.12228	1.1
211.11266	0.7
211.13239	12.6
215.14136	0.6
222.10310	0.4
223.13332	0.7
225.12646	0.6
227.12621	1.1
227.14534	0.7
229.14247	0.7
231.13789	1.0
233.15346	1.5
235.13313	0.6
237.12596	1.1
249.14670	1.9
255.13879	2.0
259.13373	0.6
267.15869	100.0
268.16162	3.3
273.14825	3.8
285.16907	12.0
285.61536	0.4
286.17044	0.5
299.16086	0.4
301.14203	0.8
339.23224	1.0
341.20993	1.1
345.38934	0.5
349.21683	2.6
357.24185	1.1
367.22577	8.0
368.22797	0.6
385.23645	10.1
403.24667	2.8
405.24039	0.5
415.24576	0.9
433.25812	15.8
434.26248	0.7
441.26288	7.7
442.26849	0.5
459.27344	78.4
460.27594	5.0
477.28400	47.3
478.28662	2.5
491.29932	0.6
501.28299	1.8
509.31241	0.6
519.29608	2.9
525.27905	0.7
567.29468	0.6
573.30670	0.8
582.92023	0.5
585.30389	1.9
603.31439	1.6
605.13483	0.6
621.32220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66064	0.7
65.03904	1.6
66.91851	0.6
67.05494	47.7
69.03395	1.3
69.07056	15.6
70.69421	0.6
71.04972	3.5
71.45403	1.2
73.02878	1.7
74.28725	0.7
79.05482	29.0
81.03392	3.3
81.07044	60.0
82.07359	0.9
83.04957	3.4
83.08136	0.7
83.08605	8.5
85.02885	8.2
85.06502	2.0
91.03956	4.3
91.05463	15.1
92.81796	0.6
93.07030	45.2
94.07339	0.7
95.04967	3.1
95.08593	26.2
97.02863	4.4
97.06516	7.8
97.10126	2.3
99.04403	0.9
99.08043	2.6
105.07023	9.2
107.07874	1.4
107.08578	25.8
109.06500	1.9
109.10139	10.0
111.08070	2.9
113.05973	0.7
113.09608	0.9
115.11352	0.7
117.06982	7.8
119.08557	6.1
121.10120	18.6
123.08025	0.7
123.11704	2.9
125.09576	1.2
127.03860	1.9
129.06921	0.7
131.08559	8.9
133.10110	8.1
135.07999	1.1
135.11676	10.9
137.13219	1.0
139.11096	1.2
145.04889	2.0
145.10086	3.7
147.11642	3.4
149.13240	18.7
151.11111	0.9
159.11676	9.3
161.13234	1.8
163.05960	2.2
163.14764	1.3
173.13210	2.4
175.14716	0.9
177.12735	3.8
177.16441	0.7
187.14772	2.0
195.13783	7.4
195.40456	0.7
213.14760	1.5
229.14264	0.6
243.21072	2.5
261.22159	9.2
267.15875	2.1
269.17435	96.1
270.17764	2.3
317.24728	2.7
326.67166	0.7
335.25745	53.7
336.26157	1.0
412.85092	0.7
437.34186	1.6
455.35226	1.5
473.36847	0.7
511.37531	1.1
529.38812	100.0
530.39178	5.5
547.39667	3.5
579.65430	0.7
604.98755	0.7
628.82794	0.7
869.14563	0.8
888.49640	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	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.6
67.05498	57.9
69.03412	4.5
69.06711	1.2
69.07056	15.5
71.04967	4.6
71.08616	1.3
73.02900	4.2
75.08760	0.9
79.05486	40.7
79.05945	2.2
81.03391	2.9
81.07047	77.2
82.07372	1.2
83.04983	5.7
83.08607	14.5
85.02893	17.9
85.06525	3.8
91.03953	11.6
91.05470	25.9
93.07036	55.1
95.04976	5.3
95.08597	35.4
97.02879	8.4
97.06510	7.5
97.10149	2.3
105.07030	13.9
107.08586	30.1
109.06500	1.9
109.10132	15.1
111.08062	3.1
117.06987	7.6
119.08556	10.3
121.06518	2.0
121.10127	19.5
123.11688	7.0
125.09571	2.1
127.03908	4.1
129.06931	1.5
131.08554	11.1
133.10110	17.6
135.08046	1.6
135.11667	13.2
137.09613	1.1
145.04903	3.7
145.10089	4.4
147.11726	5.1
149.13220	14.8
151.11150	1.2
159.11700	9.1
161.13161	2.1
163.05959	3.4
163.11180	1.1
163.14819	2.1
169.09999	1.5
173.13261	2.9
175.14859	1.3
177.12730	3.7
177.16295	1.2
178.31329	1.1
187.14789	2.1
195.13777	12.7
213.14920	1.8
229.14285	2.0
243.21027	2.2
261.22150	12.0
267.15967	2.6
269.17444	79.8
270.17667	2.2
281.33765	1.0
289.21744	1.6
291.19589	2.2
317.24625	3.1
335.25766	70.2
336.25964	2.2
349.92413	1.2
388.62271	1.2
390.32745	1.2
437.34082	3.9
455.34879	1.5
493.99731	1.2
511.37851	2.5
529.38831	100.0
530.39166	5.0
547.39630	4.4
653.99670	1.4
673.42596	1.4
888.50140	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	888.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.4
67.05497	98.9
69.03406	7.6
69.06712	4.0
69.07059	36.7
70.53398	3.0
70.93538	6.7
70.93845	4.1
71.04975	17.8
79.05482	74.5
80.05841	3.2
81.03418	17.8
81.07046	100.0
83.04962	14.5
83.08600	23.0
84.04499	13.1
85.02881	8.7
85.06521	5.7
91.05473	65.1
93.07033	93.0
95.04955	23.0
95.08595	51.3
97.02873	5.8
97.06497	25.0
97.10158	12.4
98.82545	3.1
99.08057	4.0
105.07027	54.4
107.04956	11.0
107.08581	50.1
109.02845	3.6
109.06494	9.8
109.10137	36.8
111.08073	6.8
117.06992	26.0
119.08562	49.3
121.06534	7.8
121.10123	29.3
123.04440	3.9
123.08057	5.8
123.11642	6.5
125.09609	8.4
129.06990	11.8
130.07736	4.9
131.08557	32.9
133.10106	38.1
134.10350	4.4
135.08022	8.2
135.11656	17.4
143.08490	11.0
145.10106	30.7
147.07985	5.0
147.11679	17.0
149.09583	16.1
149.13242	10.8
151.03873	4.0
155.08546	6.7
156.09312	3.5
157.10120	10.6
159.11658	24.1
161.09540	5.0
161.13217	6.5
163.11198	8.6
165.12669	5.3
169.10133	6.6
171.11679	9.8
173.04428	7.0
173.11714	9.7
173.13240	9.5
175.11099	5.6
175.14781	4.0
177.12720	5.7
183.11600	9.7
185.13240	5.4
187.11098	3.4
187.14854	6.6
189.12700	4.7
193.09898	3.4
195.11732	5.7
195.13753	9.3
197.13252	7.7
207.65839	3.8
211.14844	6.0
221.15349	7.8
227.12723	11.2
229.14294	17.6
233.15273	4.3
255.15797	4.3
257.18967	8.2
269.17465	24.0
275.20047	42.8
331.22662	8.3
335.42767	3.6
349.23590	35.1
409.25751	8.6
413.21515	7.1
423.27454	32.7
424.26862	4.2
445.29202	10.4
449.29031	20.1
463.30457	28.6
469.32922	3.7
503.33469	9.7
507.84592	4.9
515.36859	4.9
525.35620	10.3
529.35052	9.3
543.36749	59.8
561.38055	17.2
575.39020	6.1
607.34448	10.1
623.42389	7.3
889.47174	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	899.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.2
67.01864	0.9
67.05510	1.0
68.99783	10.9
69.42208	7.7
77.03955	0.8
81.03408	2.7
83.04961	0.8
91.05472	1.1
95.04940	1.3
99.04460	1.0
105.03371	1.8
109.02883	7.6
111.00797	10.6
111.04440	2.6
119.04961	2.0
121.02862	1.9
123.03676	0.7
123.04411	30.5
127.03901	72.7
133.02847	4.0
135.04419	6.7
139.03885	78.3
140.04199	1.7
145.06454	0.9
147.04378	9.4
149.02295	4.4
150.03117	1.3
151.03886	52.9
153.01752	1.9
155.03383	11.4
155.04813	1.2
157.06514	1.5
159.04427	1.5
161.02406	0.9
161.05960	2.8
163.03880	11.3
165.05452	4.7
167.03398	2.5
167.04726	0.9
169.04927	2.1
171.04382	3.2
173.05946	1.1
175.03888	10.6
177.01805	0.9
177.05502	7.5
179.03375	49.2
180.03670	0.9
181.04880	2.1
183.04358	0.8
185.06004	2.3
187.03897	2.3
189.01787	1.1
189.05443	5.3
191.03383	10.0
193.04938	2.3
197.05905	1.8
199.03859	5.0
201.05482	3.0
203.03375	23.1
204.49364	0.9
205.04935	1.4
211.00839	0.8
213.05440	8.2
215.03377	2.4
217.04955	7.7
219.06552	1.3
221.04399	1.5
223.02292	3.9
225.05602	1.5
227.03308	1.7
229.04887	6.6
231.06558	2.4
233.04361	4.0
241.04961	6.4
243.06532	1.4
245.04430	100.0
246.04848	3.0
247.05984	5.8
251.05489	2.3
253.05055	1.3
257.04428	18.2
258.05014	1.7
259.06012	6.5
263.05481	37.4
264.06006	1.0
269.04431	7.5
271.02448	0.8
271.05957	4.3
273.03870	0.9
275.05453	24.8
277.07034	3.8
281.04501	3.0
283.06189	1.5
285.04001	1.1
287.05475	56.7
288.05853	1.6
289.06989	2.0
291.08606	13.2
295.06064	1.1
297.03870	2.1
299.05481	14.1
301.06970	1.6
305.06525	26.5
307.02432	0.9
307.05905	1.8
309.03848	1.9
311.05530	2.1
317.06512	14.0
321.07504	1.5
323.05283	2.0
327.05164	1.1
329.06601	2.4
331.06091	1.2
339.04929	1.3
347.07574	1.1
349.06909	2.3
351.04929	3.4
377.06543	2.2
379.07886	1.0
381.06235	1.3
393.06042	5.7
395.07596	1.9
405.06009	7.8
407.07797	1.9
409.09250	5.7
411.07016	1.5
413.08603	5.0
417.05936	1.4
419.07843	1.4
423.07065	20.5
425.08661	10.5
427.10138	4.3
435.07001	4.9
437.08499	1.3
441.08002	10.4
443.09659	16.5
447.07010	1.4
451.10327	1.6
453.08228	4.0
455.09909	1.1
465.08182	2.7
483.09488	1.4
492.25687	0.9
543.09308	1.2
545.11084	2.1
561.10065	2.4
567.10907	1.6
573.10162	1.3
587.11121	1.7
591.11200	1.8
595.14587	4.5
605.12543	0.9
609.11908	1.1
731.15863	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	899.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
68.99776	13.7
69.00114	1.3
70.92683	2.2
77.03912	0.8
81.03399	4.6
83.04960	1.7
85.02835	0.6
91.05472	1.5
95.04949	1.8
99.04437	1.3
105.03384	2.9
109.02854	5.3
111.00793	14.6
111.04419	1.7
115.05428	0.8
119.04931	1.6
121.02798	1.2
123.04404	33.0
123.05307	1.6
127.03895	100.0
128.04272	0.9
131.04910	1.0
133.02835	5.3
135.04395	4.1
137.02319	1.1
139.03876	77.6
140.04213	1.7
141.06920	0.9
143.04979	0.9
147.04388	12.9
147.69640	0.7
149.02325	5.9
150.03137	0.9
151.03876	50.8
152.04271	0.8
153.01785	2.2
153.05440	1.3
155.03366	8.4
157.02866	0.9
157.06419	1.3
159.04402	3.0
161.02296	1.4
161.05981	4.0
163.03889	12.3
165.05476	4.5
167.03331	2.2
169.04961	3.9
171.04379	3.4
173.05956	2.5
175.03883	14.7
177.05452	10.6
179.03366	70.2
181.04874	1.9
183.04408	1.1
185.05959	2.3
187.03896	1.8
189.05460	6.7
191.03381	11.2
192.73529	0.8
193.04910	3.8
197.05934	2.3
199.03842	6.7
201.05434	5.4
203.03377	28.1
205.04929	2.1
207.06505	1.4
211.03981	1.2
213.05469	7.4
215.03317	2.0
216.04044	1.1
217.04922	9.0
219.02928	1.3
219.06459	2.7
221.04463	1.2
223.02313	2.9
225.05402	1.8
227.03342	3.0
229.04936	6.3
231.06505	4.3
233.04385	6.0
236.60637	0.8
241.04915	5.6
243.06450	1.5
245.04416	96.9
246.04703	2.3
247.05946	5.4
251.05402	1.6
253.04984	2.5
257.04404	20.1
258.05176	1.9
259.05991	5.5
263.05460	49.5
264.05774	1.4
265.04996	1.0
267.06393	1.0
269.04471	7.9
271.05972	5.6
273.03799	1.0
273.07574	1.1
275.05423	28.8
277.06955	4.3
281.04388	2.3
283.05914	2.2
287.05457	82.4
288.05768	2.7
291.05316	1.1
291.08585	19.9
295.05881	1.3
297.03970	3.6
299.05460	19.6
301.06964	1.1
303.05450	0.9
303.08752	1.1
305.06497	27.0
307.05862	1.1
309.03925	1.8
311.05417	2.7
317.06470	15.8
321.07501	1.5
325.07062	0.9
327.04950	0.8
329.06540	2.3
331.05695	0.9
339.04932	1.3
347.07553	2.1
349.06989	2.3
351.04950	2.6
361.07004	1.0
363.04855	1.4
377.06219	1.8
393.06082	3.9
395.07413	2.3
399.07123	1.2
405.06088	9.4
407.07605	1.0
409.09079	6.8
411.07193	1.2
413.08530	8.3
417.05826	2.5
423.07053	26.0
424.07309	0.9
425.08533	14.1
427.10193	8.2
435.07147	5.2
437.08469	1.7
441.08023	12.6
443.09726	11.7
447.06827	1.6
451.10022	2.3
453.08133	5.0
455.09204	1.1
465.08093	3.4
467.09775	1.5
469.11163	2.0
483.09134	1.1
543.08923	2.8
549.09473	1.4
561.09955	3.3
567.10870	1.5
573.09851	2.7
587.11835	1.2
591.11200	1.3
595.14362	8.5
605.12708	1.5
609.11816	1.1
695.13110	0.8
713.14417	1.6
731.15479	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	899.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.6
67.01863	0.6
67.05465	0.9
68.99777	10.6
69.03413	0.6
69.53959	4.4
74.23669	0.5
75.33875	0.5
81.03410	4.2
81.26485	0.6
83.04975	1.1
85.02861	0.8
89.03896	1.0
91.05470	0.7
92.07102	0.6
95.04951	1.9
96.13536	0.6
97.02895	0.8
98.21507	0.8
99.04453	0.9
105.03377	2.0
107.04939	1.0
109.02864	7.4
111.00790	10.2
111.04436	3.2
115.05424	1.0
117.03419	0.6
119.04935	2.3
121.02837	2.1
123.04416	30.3
127.03899	100.0
128.04211	1.2
129.06960	0.7
131.04909	1.0
133.02815	5.7
135.04427	5.9
137.02327	1.5
139.03885	70.4
140.04192	0.8
143.04886	0.9
145.06496	1.0
147.04384	11.3
149.02312	4.5
149.06000	0.8
151.03883	41.3
151.95215	0.7
152.04230	0.8
153.01759	1.3
153.05426	0.9
155.03362	6.3
155.04645	1.1
157.06470	0.9
159.04404	2.6
161.02332	1.1
161.05943	3.2
163.03891	14.4
163.05196	1.0
165.05492	6.1
167.03403	3.6
167.04651	0.7
169.04939	2.7
169.06302	0.8
171.04417	2.1
173.02982	0.8
173.05981	1.8
175.03886	13.5
177.01822	1.2
177.05444	6.5
179.03372	56.3
180.03783	1.0
181.04938	1.8
183.04370	1.3
185.05991	1.8
187.03880	2.1
189.05431	5.8
191.03368	8.4
193.04967	3.5
197.05881	1.3
199.03902	5.0
201.05423	4.3
203.03374	23.7
205.04973	1.5
207.06522	0.9
211.04063	0.9
213.05403	5.6
215.03371	1.9
215.06934	0.8
217.04942	8.5
219.03072	0.7
219.06474	1.8
221.04480	1.2
223.02365	2.1
225.05380	1.5
227.03427	1.8
227.06883	0.7
228.78148	0.6
229.04962	5.7
230.05707	0.7
231.02831	0.7
231.06488	3.9
233.04387	5.1
234.05815	0.6
237.05348	0.7
241.04909	4.3
243.06589	1.0
245.04431	40.0
247.05989	7.3
251.05556	1.8
253.04912	1.6
257.04395	18.2
258.05038	1.7
259.06012	4.4
263.05469	42.4
264.05847	0.7
265.05014	0.6
269.04404	6.3
270.04956	0.6
271.05972	5.9
273.03775	1.0
273.07474	1.2
275.05463	21.8
275.08417	1.3
276.05725	0.6
277.06931	2.8
281.04401	3.0
283.06024	1.8
285.03986	1.2
285.07672	0.7
287.05463	56.8
288.05820	1.8
289.06998	2.2
291.08600	18.4
292.09091	0.8
295.06021	1.3
297.03946	2.2
297.07062	0.7
299.05447	13.6
301.07028	1.6
303.08725	2.0
305.06546	23.5
307.05450	0.7
307.08478	1.0
309.03937	1.8
311.05511	2.3
317.02811	0.9
317.06540	18.8
321.03961	1.2
321.07623	1.3
323.05463	1.7
327.67773	0.6
329.06573	1.3
331.05811	0.9
339.04822	1.3
350.41321	0.6
351.04980	3.8
361.07312	0.8
363.05054	0.8
377.06619	0.6
379.08487	0.7
381.05923	1.1
391.07996	1.0
393.05859	6.2
394.07541	0.8
395.07578	2.1
399.06854	3.2
405.05933	4.6
407.07294	1.2
409.09155	8.2
411.07031	2.2
413.08661	2.4
417.06161	1.2
419.07605	0.8
423.07037	12.5
425.08548	13.2
427.10062	6.4
435.07135	4.7
437.08646	2.3
439.10226	1.0
441.08176	8.1
443.09714	17.2
447.07004	0.8
451.10233	3.4
453.07962	2.8
455.09619	1.4
465.08167	2.5
467.09006	0.6
469.11209	2.1
483.08456	0.7
543.09290	2.2
545.10657	2.7
549.10339	4.8
557.10730	0.7
559.11407	0.7
561.10315	3.8
567.11060	2.0
573.09833	1.1
579.10864	0.7
585.10205	0.6
587.11359	1.6
595.14880	3.9
605.12561	1.4
695.13422	1.0
713.14459	2.2
731.15918	2.8
737.40338	0.7
743.84845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03243	2.1
63.70907	2.1
65.03916	2.1
67.05495	30.7
69.03414	6.2
69.07062	11.2
69.48639	2.0
69.84845	13.0
70.59041	2.3
71.04964	7.2
73.02897	3.8
74.67495	2.1
79.05480	33.4
81.03409	100.0
81.07048	39.0
83.04971	25.4
83.08600	29.5
85.02503	2.6
85.02902	29.3
85.06546	2.5
91.03944	3.3
91.05468	53.9
92.05796	2.3
93.07034	24.1
95.04958	43.4
95.08601	17.3
97.02866	12.1
97.06509	8.9
97.10146	9.0
99.04445	2.2
99.08100	2.8
105.07020	32.7
107.04943	13.2
107.08591	12.1
109.06488	9.6
109.10143	5.9
111.04417	6.9
111.08049	13.8
113.06000	3.2
115.05389	2.6
117.06981	4.4
119.04874	2.4
119.08566	29.8
121.06467	4.8
121.10125	15.8
123.08047	5.9
123.11706	2.8
125.09577	3.7
127.03905	4.2
129.06981	16.3
131.08533	20.4
133.10121	21.0
135.07976	2.5
137.09601	5.5
142.07726	2.9
145.06483	3.2
145.10098	4.9
147.08040	6.7
147.11649	27.2
149.09576	8.1
151.11156	2.7
157.10115	25.3
163.11107	4.8
165.12761	6.4
174.54918	2.2
175.11168	23.2
193.12218	58.3
203.14270	2.7
211.13266	55.0
249.14886	3.1
255.13737	2.8
267.15887	72.2
285.16925	34.1
299.14917	4.6
353.35184	2.3
355.17514	3.4
385.23645	3.1
411.20160	3.2
429.20859	6.1
433.25946	4.6
445.25989	3.3
459.27335	58.8
477.28400	51.1
495.29495	50.7
621.32898	11.7
639.33618	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.3
65.69893	0.9
67.05497	37.7
69.03409	1.5
69.07051	7.8
69.28078	9.9
71.04968	1.2
73.02898	1.4
79.05483	44.6
81.03394	2.9
81.07047	32.4
83.04964	7.2
83.08620	6.4
85.02895	4.8
85.06512	1.6
87.27236	1.1
91.03949	2.4
91.05467	25.7
93.07031	38.5
95.04964	10.1
95.08593	21.9
95.42506	0.8
97.02903	3.0
97.06485	1.5
97.10144	2.3
105.07018	21.7
107.04955	2.9
107.08571	13.3
109.06499	4.1
109.10128	7.7
111.08041	1.1
115.05452	0.9
117.06994	4.6
119.07768	1.5
119.08562	13.9
121.06500	1.5
121.10123	7.5
123.08070	2.8
123.11711	2.1
128.06206	1.7
129.06989	7.5
131.08528	3.8
133.10118	7.8
135.08031	1.0
135.11670	4.7
143.08540	4.0
145.10110	8.0
147.11671	18.3
148.93996	0.8
149.13226	1.7
156.09340	1.1
159.11674	2.5
161.09564	2.0
161.13228	7.1
171.11670	12.0
173.13353	1.2
189.12685	4.8
207.13780	16.8
243.21083	1.9
261.19730	0.9
261.22025	4.5
279.15891	3.1
281.17438	54.6
282.17673	1.5
297.00311	0.8
313.27240	1.1
327.33176	1.1
332.53485	1.0
335.25772	38.9
336.26233	2.1
471.15933	1.0
541.38843	100.0
542.38989	7.1
559.39661	3.9
740.02289	1.1
908.51184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	15.9
69.03402	2.9
69.07050	6.7
71.04988	1.7
71.08265	2.0
71.08623	21.2
71.54444	1.9
79.05484	12.5
81.03405	66.3
81.07046	19.4
83.04958	4.6
83.08604	19.3
85.02898	6.9
85.10174	12.4
86.09680	2.6
91.03948	4.1
91.05468	13.0
93.07020	8.0
95.04962	17.6
95.08598	15.5
97.02879	6.0
97.06530	1.9
97.10155	5.2
105.07014	10.6
107.04942	5.7
107.08578	3.7
109.06519	1.8
109.10167	7.2
111.04435	1.8
111.08074	4.0
117.07025	1.7
119.08567	10.2
121.06502	2.4
121.10120	6.0
123.04433	1.8
123.11727	1.5
124.99992	3.0
127.03881	2.2
129.06978	6.3
131.08560	7.8
133.06442	1.3
133.10123	2.5
135.11646	1.9
142.07701	2.2
145.10089	2.4
147.08011	3.2
147.11703	5.7
149.09637	5.0
157.10127	7.7
163.03876	1.7
163.05960	4.3
175.11130	7.3
184.07335	9.1
193.12227	20.4
205.81847	1.5
207.70531	1.6
211.13231	2.6
235.13133	2.0
237.35605	1.4
239.23666	1.7
241.12102	1.5
255.09766	1.5
257.24783	2.1
267.15881	100.0
302.51559	1.5
309.16919	3.5
313.27325	98.9
314.27591	2.3
319.15054	1.6
333.13278	2.9
335.25842	1.5
425.18265	2.4
505.38821	82.0
506.39249	2.0
523.39600	3.1
532.59521	1.4
547.39734	5.9
601.40552	2.6
708.40991	2.3
719.81262	1.6
821.46747	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	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51247	0.7
65.03896	2.0
66.93827	0.7
67.05499	46.7
69.03421	3.4
69.07064	11.4
69.34164	6.2
71.01335	1.7
71.04991	4.2
71.08601	1.1
73.02898	4.8
77.03889	0.8
79.05489	40.2
81.02977	0.9
81.03410	13.3
81.07050	53.3
82.03706	1.1
83.01337	7.3
83.04974	9.2
83.08616	14.5
85.02898	19.6
85.06488	1.8
85.10166	0.9
91.03950	11.7
91.05473	25.7
92.05766	0.9
93.07036	49.6
95.04456	1.0
95.04964	11.6
95.08597	38.1
96.04482	0.7
97.02884	11.6
97.06523	6.2
97.10172	4.9
98.06020	0.9
99.04397	2.8
99.08066	0.8
103.05430	1.2
105.04498	1.5
105.07023	19.2
107.04948	7.4
107.08586	28.5
108.08886	1.1
109.02829	1.7
109.06516	6.1
109.09460	0.9
109.10144	14.4
111.04385	1.9
111.08028	2.8
115.05428	0.7
117.06331	0.8
117.07014	9.7
117.90331	0.6
119.07797	1.0
119.08569	17.1
121.06506	3.2
121.09312	1.3
121.10139	22.7
123.08074	7.1
123.11710	5.0
125.05964	1.5
125.09610	3.1
127.03912	4.4
129.06955	2.3
130.07779	0.9
131.07578	0.7
131.08565	11.8
133.06421	0.7
133.10126	7.8
135.08020	2.0
135.10661	1.1
135.11684	21.8
137.09583	2.0
137.13228	1.3
139.07542	0.9
139.11125	1.0
143.08496	2.5
145.04909	6.1
145.06400	1.1
145.09041	1.1
145.10118	21.5
147.08029	1.5
147.11681	6.8
149.09547	2.0
149.13251	7.2
151.11133	0.8
153.12727	4.4
155.08475	2.0
157.10069	1.9
159.11716	6.2
161.13257	5.1
162.07573	0.7
163.06009	7.2
163.11171	22.2
163.14828	4.6
171.11617	1.3
173.09590	2.9
173.11894	0.8
173.13248	5.8
175.14778	1.2
177.12605	1.0
181.12253	3.2
183.11693	1.0
185.13237	1.8
187.14766	3.6
189.11160	1.9
191.10645	2.7
191.14406	0.8
193.12192	1.8
197.13228	0.8
199.14783	0.8
201.16315	1.4
209.11670	6.1
209.13371	0.9
211.13280	2.1
219.13885	0.6
227.12749	13.2
227.20061	1.3
243.21048	6.2
259.20499	2.0
261.22131	20.4
267.15857	5.8
268.16235	2.5
269.16507	1.4
283.15381	100.0
284.15686	2.8
285.16928	1.1
299.23672	6.1
313.27402	3.6
314.27731	2.4
315.23575	0.7
315.28091	1.8
317.24731	6.4
333.24176	2.6
335.25772	99.2
336.26193	2.9
423.32620	1.1
427.19562	2.6
433.30905	2.1
451.32077	4.1
469.33188	3.7
487.34225	1.5
506.39111	2.1
507.39545	2.2
515.37366	1.2
525.35608	7.1
526.35773	1.1
529.38928	1.7
543.36774	95.5
544.37128	5.1
561.37769	5.3
593.66156	0.7
650.07104	0.8
687.40735	1.1
705.42065	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	902.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72819	0.6
65.03883	2.0
67.05496	32.8
69.03407	1.1
69.07061	10.0
69.85512	3.7
70.45419	0.6
71.04951	2.3
73.02865	2.4
79.05485	29.9
79.31098	0.6
81.03419	3.1
81.07045	39.9
83.04953	3.0
83.08148	0.8
83.08605	10.2
85.02892	4.4
91.03892	2.2
91.04888	0.7
91.05468	15.5
93.07034	43.6
94.07327	0.9
95.04452	0.6
95.04961	8.3
95.08596	48.7
97.02891	4.2
97.06519	4.5
97.10133	2.0
99.04444	3.5
99.75027	0.6
103.05363	0.8
105.07018	11.5
107.04956	5.7
107.08579	32.8
109.06455	1.6
109.10146	9.8
111.04397	1.0
111.08043	1.4
113.05936	0.8
117.07009	8.1
119.07797	0.8
119.08569	13.4
121.06487	5.1
121.10133	17.0
123.11660	2.4
125.05907	2.6
127.03865	1.0
129.06973	0.8
130.07719	1.7
131.08563	4.8
133.10101	6.8
135.07994	2.3
135.11673	48.2
136.11958	1.1
137.13144	0.7
139.07463	1.5
142.44644	0.7
143.08501	1.2
145.10103	26.0
145.11259	1.5
146.10416	0.7
147.11629	2.4
149.09621	0.7
149.13268	3.3
153.12677	0.9
159.11676	2.1
161.13284	1.5
163.11162	54.5
163.14774	1.8
164.11478	1.1
173.09583	1.1
173.13205	2.1
181.12219	9.5
187.14824	0.8
191.10591	0.6
209.11716	2.1
227.12755	72.2
228.13087	0.9
243.21103	2.5
261.22079	10.0
283.15363	100.0
284.15656	2.1
317.24710	2.7
335.25760	84.6
336.26041	2.7
427.19672	0.8
469.33133	0.7
543.36755	86.3
544.36871	4.0
561.37476	1.0
687.40649	0.8
705.41730	1.2
890.13306	0.7
890.30664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.1
67.05492	29.4
68.03738	0.3
69.03401	1.2
69.07058	9.3
70.11633	1.6
71.04983	2.5
71.08572	0.4
73.02882	1.1
77.03885	0.7
79.05479	25.5
80.05794	0.4
81.03409	2.5
81.07043	30.8
81.77872	0.4
83.04958	1.6
83.08129	0.5
83.08601	7.1
85.02879	2.6
85.06503	1.2
91.03919	1.3
91.04887	0.3
91.05464	11.1
93.07027	35.9
94.07338	0.5
95.04950	4.6
95.08591	38.3
96.08916	0.5
97.02869	3.9
97.06496	3.3
97.10129	1.4
99.04433	3.0
99.08052	0.5
101.81104	0.4
102.45803	0.3
103.05437	0.4
105.04484	0.5
105.07007	8.0
106.07326	0.4
107.04933	4.7
107.08577	23.1
109.06504	1.7
109.10138	10.1
110.10410	0.5
111.04411	1.0
111.08038	1.3
113.06009	0.5
113.09621	0.5
115.05408	0.5
117.06999	6.6
119.08560	10.0
121.06483	4.0
121.10120	16.6
123.08022	0.8
123.11685	2.5
125.05924	1.9
127.03901	0.4
127.07522	0.5
129.06992	0.4
130.07736	1.0
131.08553	4.0
133.10106	6.2
135.08081	1.6
135.11673	34.8
136.11993	0.4
137.09578	0.6
137.13234	0.8
139.07513	0.8
143.08575	0.7
145.10100	18.9
146.10376	0.5
147.11658	2.2
149.13246	3.0
153.12724	0.7
155.08539	0.5
159.11653	1.6
161.13176	1.8
163.05949	0.7
163.11157	41.2
163.14815	1.3
164.11555	0.7
173.09555	0.7
173.13258	2.1
175.14793	0.9
177.12709	0.5
179.14247	0.4
180.54893	0.4
181.12189	7.0
185.13188	0.5
187.14775	1.1
201.16321	0.4
209.11729	1.4
227.12746	48.3
228.13074	1.1
243.21030	2.5
261.22119	8.2
267.15799	0.6
283.15353	55.4
284.15710	1.4
317.24597	1.9
334.52145	0.4
335.25742	100.0
336.26102	4.4
427.19507	0.6
529.39050	1.2
543.36719	95.0
544.37018	5.2
575.38849	0.4
687.41119	0.8
705.42480	0.7
757.69861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.9
67.05495	42.1
69.03421	3.8
69.07061	10.4
69.85744	2.4
69.86149	1.3
71.01344	1.1
71.04980	3.5
71.08609	1.5
71.22709	0.7
73.02911	4.6
79.05481	39.3
81.02970	0.9
81.03408	12.9
81.07044	50.1
83.01331	8.9
83.04963	10.9
83.08604	15.1
85.02891	21.7
85.06516	2.1
87.04414	0.7
91.03937	11.5
91.04881	0.9
91.05461	23.3
93.07027	46.3
94.07355	0.9
95.04942	8.6
95.08590	32.4
97.02878	10.6
97.06520	5.5
97.10159	4.7
99.04414	3.9
99.08063	0.9
103.05428	0.9
105.07011	18.1
107.04936	7.5
107.08582	24.6
109.02888	1.7
109.06498	6.6
109.09433	1.2
109.10139	14.8
110.65823	0.6
111.04420	2.4
111.08082	3.5
113.06013	0.7
113.19228	0.7
115.03892	0.8
115.05425	0.8
117.07006	12.4
119.08564	17.2
121.06501	3.7
121.09296	1.5
121.10123	19.6
121.10998	1.1
123.08055	8.1
123.11694	4.5
125.05965	1.6
125.09595	2.9
127.03901	4.3
128.06186	1.1
129.06970	3.1
130.07751	1.0
131.04948	0.7
131.08542	12.0
133.09184	1.1
133.10089	9.2
135.07999	2.7
135.11671	18.1
137.09602	2.1
137.13214	1.5
143.08546	2.2
144.49312	0.7
145.04898	4.1
145.06509	1.0
145.10098	20.6
146.10486	0.8
147.08018	1.9
147.11673	5.9
149.09529	1.7
149.13222	5.7
153.12727	2.9
155.08478	1.7
157.10109	1.9
159.11655	5.7
161.13211	3.1
163.06013	5.5
163.11154	20.9
163.14760	2.6
165.12688	1.0
171.11678	1.1
173.09621	2.6
173.13199	3.6
175.11165	0.7
175.14804	1.7
177.16299	0.9
181.12206	3.7
185.13242	1.0
187.14752	3.6
189.11270	1.5
191.10643	2.3
191.14363	0.8
193.12228	2.1
197.13216	0.8
199.14758	1.1
206.48955	0.7
209.11658	7.9
211.13188	1.4
227.12738	13.6
243.21098	4.5
244.57465	0.7
253.55869	0.7
259.20517	1.4
261.22086	14.4
267.15909	4.4
268.16275	2.2
273.22018	1.0
277.21457	0.7
283.15356	100.0
284.15686	2.6
285.16687	1.4
299.23706	6.2
313.27341	2.1
314.27585	2.3
317.24570	3.9
333.24152	2.8
335.25757	70.1
336.26047	2.5
433.30957	1.9
451.32364	3.7
469.32947	2.3
487.34067	2.1
505.38641	0.9
506.39191	1.4
507.39795	1.6
515.36823	0.9
525.35651	6.3
543.36737	60.8
544.36896	4.7
561.37982	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	903.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10070	0.9
85.02880	1.3
85.17440	0.9
98.97572	1.7
99.04462	1.1
127.03884	1.1
131.01842	1.1
134.99886	4.5
138.01576	1.2
146.99591	0.9
153.00935	4.1
162.99373	9.1
173.02950	2.3
176.98927	1.9
186.03163	1.1
186.99376	1.5
189.00883	3.1
190.98813	1.7
191.56209	1.0
201.00908	8.0
203.02420	2.2
204.00475	1.4
205.00444	6.5
213.00987	5.7
215.02510	3.6
217.00401	1.8
219.00021	1.3
219.01987	14.9
220.02144	1.3
220.52522	1.2
225.00877	5.0
227.02394	5.9
229.00468	3.4
229.03920	1.3
229.60765	1.3
230.99756	1.1
231.01958	18.2
232.01863	2.3
237.00868	12.4
237.02980	2.0
239.02542	6.5
241.00314	3.1
241.04111	1.2
241.69054	1.1
243.01967	26.9
244.02130	2.1
245.03566	4.3
247.01436	1.8
249.00877	9.9
250.01028	1.3
251.02458	1.7
253.04033	2.8
255.01981	67.8
256.02057	6.4
257.03546	5.9
259.01395	2.3
261.03018	7.5
263.02594	1.3
264.02441	2.2
265.00360	2.8
265.03906	1.9
267.01962	63.1
268.02130	4.4
269.03589	6.2
271.01456	1.3
271.05035	1.4
273.03070	10.4
278.03442	2.3
279.01859	24.3
280.02084	2.1
281.03659	6.0
283.01450	17.2
285.03027	41.5
286.03229	2.9
290.03818	1.3
291.01947	5.3
295.01379	2.9
295.04761	1.7
297.03061	41.2
298.03214	3.4
299.04562	1.4
303.01599	1.2
303.04153	15.8
304.03839	1.2
305.03647	1.6
308.04715	1.1
309.03024	11.8
310.03137	1.5
315.04205	17.1
316.04300	1.4
320.04709	1.2
321.02792	8.0
325.02551	1.9
325.06085	1.2
327.04050	53.5
328.04138	5.2
333.03009	5.8
333.05688	1.7
337.02487	1.3
339.04092	18.6
340.04370	1.7
345.05179	70.1
346.05472	5.8
351.04022	8.1
354.05701	1.3
357.05093	19.5
358.05383	1.5
363.06461	5.2
368.06888	3.2
369.05157	19.8
370.05286	1.5
375.06171	5.3
380.06769	1.1
381.04935	6.8
382.05426	1.2
387.06180	38.6
387.11053	2.3
388.06128	2.4
397.04379	2.4
399.06216	13.4
405.07242	30.2
406.07278	3.2
411.06226	2.9
417.07169	1.9
423.05963	1.5
428.09171	1.9
429.07211	7.2
441.07355	8.9
447.08353	14.1
453.07059	1.7
459.08371	12.1
460.08591	1.5
465.09329	11.9
471.08545	1.8
477.09244	2.8
480.09036	1.3
483.09512	1.4
489.09167	3.4
495.10431	1.1
501.09305	7.7
507.10425	100.0
508.10678	11.1
519.10425	13.4
520.10437	1.7
525.11383	2.0
543.10797	2.7
549.11591	7.3
561.11188	6.2
567.12561	6.3
579.12543	2.0
597.13489	4.7
609.13293	1.6
621.13208	7.1
633.13641	6.9
634.13531	1.6
651.13989	2.8
705.15240	2.8
723.16498	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	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
65.05585	0.8
67.05496	30.0
69.03403	3.0
69.07065	7.7
69.22260	8.7
71.04976	2.2
73.02892	1.8
79.05479	24.7
81.03408	24.9
81.03889	1.3
81.07044	33.1
83.04971	8.3
83.08192	1.0
83.08618	11.1
85.02888	14.1
85.06526	2.1
86.09688	2.5
91.03934	2.5
91.05466	20.0
93.06452	1.3
93.07033	24.7
95.04948	13.4
95.08595	20.5
95.09095	0.4
95.58043	0.7
97.02881	4.9
97.06503	3.1
97.10150	3.1
99.04446	0.9
99.08113	0.9
105.06365	1.1
105.07020	14.7
107.04917	2.4
107.08575	12.4
108.08913	0.8
109.06491	4.1
109.10136	9.0
111.04412	0.8
111.08090	4.1
111.08733	0.8
112.89786	0.7
113.05989	1.3
117.06981	2.8
119.08568	13.6
121.06513	1.7
121.10130	13.5
123.08064	1.2
123.11713	3.4
124.99957	1.9
125.09647	1.2
127.03832	0.8
129.06993	4.7
131.08562	9.9
133.06482	2.0
133.10114	9.2
135.07999	1.2
135.11681	5.3
137.09608	2.0
145.04895	0.8
145.10120	4.2
147.08064	1.4
147.11687	10.6
149.09610	3.2
149.13211	2.8
151.11145	1.6
157.10112	5.4
159.11647	2.6
161.13255	2.1
163.11137	1.0
163.14737	0.7
165.12741	2.4
173.13289	2.2
175.11143	6.1
176.13568	0.8
178.72960	0.8
184.07324	6.7
187.14699	1.0
193.10419	0.7
193.12216	18.7
211.13255	20.8
227.12766	1.3
243.21114	2.7
261.22034	6.5
267.15869	10.5
283.15350	1.4
285.16940	29.2
317.24744	1.0
329.64868	0.8
335.25760	48.4
336.26105	2.4
386.38031	0.8
429.20844	1.0
435.32578	0.9
436.77341	0.8
437.69894	0.8
453.33502	1.1
471.34583	1.9
527.37219	8.7
545.38287	100.0
546.38507	3.1
689.42462	1.5
707.43616	1.0
904.49103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.8
67.05495	41.6
68.05819	0.5
69.03423	3.7
69.07056	10.5
69.23697	3.2
71.04981	4.0
71.07348	0.4
71.08611	0.5
72.45300	0.3
72.49814	0.3
73.02902	2.8
77.03893	0.7
79.05479	33.8
79.21373	0.3
80.05794	0.3
81.03406	36.6
81.07043	44.4
82.03749	0.5
82.07378	0.3
83.04968	9.2
83.08604	16.0
85.02892	24.1
85.06516	1.7
86.09691	4.7
86.10159	0.4
87.04455	0.5
91.03944	5.9
91.05465	29.6
92.05780	0.6
93.07027	33.7
94.07345	0.3
95.04954	16.5
95.08591	28.9
96.04504	0.4
97.02872	7.1
97.06515	3.4
97.10145	3.3
98.20761	0.5
99.04472	0.9
99.08073	0.9
103.05465	0.4
104.10673	0.4
105.04537	0.7
105.07013	21.5
106.07346	0.3
107.04946	4.0
107.08575	18.0
109.02895	0.5
109.06499	4.0
109.10139	11.1
111.04411	1.4
111.08064	7.1
112.28885	0.3
113.05991	1.3
113.09612	0.4
115.03886	0.6
115.05479	1.0
117.06989	4.6
119.04915	0.3
119.08564	16.9
120.00842	0.3
120.08943	0.3
121.06496	1.5
121.10120	15.9
123.08045	2.6
123.11688	4.4
124.99989	2.9
125.05942	0.3
125.09606	1.3
127.03874	2.5
128.06210	0.7
129.05548	0.4
129.06985	7.1
131.08545	12.2
133.06502	1.8
133.10110	11.7
135.08081	0.5
135.11670	7.4
137.09607	1.4
137.13246	1.0
139.11157	0.3
142.07721	1.7
143.08524	1.1
145.04907	2.6
145.10083	4.9
147.08025	1.9
147.11664	11.6
149.09610	3.8
149.13232	3.5
151.11185	0.9
153.12761	0.4
155.08632	0.4
157.10098	9.3
159.11652	2.8
161.13231	3.1
163.06035	2.1
163.11172	0.8
163.14813	1.5
165.12762	2.3
169.10181	0.4
171.11693	0.6
173.13220	3.5
175.11169	8.9
175.14848	0.9
177.12825	0.5
177.16252	0.4
181.12280	0.3
183.11766	0.4
184.07307	15.7
185.13284	0.7
187.14743	1.4
189.11217	0.6
193.12212	26.8
197.13330	0.4
199.14816	0.4
201.16360	0.5
211.13254	34.8
212.13551	0.7
219.17331	0.4
227.12767	1.4
229.14323	0.5
239.18001	0.4
243.21010	2.1
249.14835	0.4
259.20361	0.5
261.22107	9.0
261.24808	0.6
267.15884	11.1
269.17368	0.4
279.23203	0.6
283.15411	0.4
285.16919	43.0
286.17313	0.7
291.19409	0.6
301.25134	0.6
317.24789	2.5
333.24268	0.3
335.25748	69.9
336.26117	1.9
413.15366	0.3
417.31363	0.5
435.32629	1.9
453.33694	1.5
471.34402	0.9
509.36261	0.9
527.37238	13.9
528.37231	0.4
545.38275	100.0
546.38654	4.0
563.39001	0.4
661.10754	0.4
689.42407	0.7
904.47754	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	904.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.6
67.05496	38.6
69.03418	5.5
69.07059	9.7
71.04984	4.0
73.02905	3.2
73.06511	0.5
77.03916	0.7
79.05482	34.3
81.03407	45.8
81.07043	43.9
81.07742	0.8
82.03745	0.6
83.04974	11.9
83.08606	18.4
85.02894	27.9
85.06493	1.8
86.09688	4.8
87.04433	0.5
88.23007	0.6
91.03410	0.6
91.03949	8.8
91.05466	29.9
93.07028	29.1
93.07565	0.6
95.04955	21.7
95.08592	26.4
97.02878	8.2
97.06512	4.0
97.10160	3.8
98.20683	0.8
99.04424	1.2
99.08062	1.4
99.13091	0.5
105.04472	0.7
105.07018	23.2
106.07304	0.7
107.04946	4.5
107.08576	17.2
109.06490	4.4
109.10136	11.9
111.04401	2.0
111.08060	8.4
113.06011	2.6
115.05401	1.3
117.07014	4.0
119.08562	19.8
121.06466	1.6
121.10123	17.7
121.11015	0.7
122.10471	0.5
123.08040	2.8
123.11676	5.0
124.99972	3.7
125.09560	1.7
127.03909	3.3
129.05460	0.8
129.06987	9.0
131.08546	13.0
133.06427	2.2
133.07362	0.6
133.10098	12.5
135.11664	6.7
137.09547	2.1
137.13176	0.9
139.11157	0.5
142.07715	1.8
143.08516	1.1
145.04950	3.5
145.10107	5.4
145.48532	0.5
147.08015	2.1
147.11662	14.8
149.09596	5.1
149.13220	3.3
151.11191	1.0
153.12759	0.6
155.08496	0.5
157.08932	0.8
157.10115	11.1
159.11676	3.3
161.09622	0.6
161.13219	2.2
163.05998	3.7
163.11154	1.0
163.14813	1.8
165.12695	2.6
169.10013	0.6
171.11684	0.7
173.13260	3.2
175.11162	11.2
175.14651	0.7
177.16331	0.6
184.07320	15.9
185.13235	0.5
187.14790	2.0
193.12216	36.4
194.12439	0.9
211.13258	64.0
212.13570	1.1
227.12732	0.8
229.14359	0.7
243.21091	1.9
261.22098	9.1
263.67740	0.6
267.15909	14.9
269.12296	0.8
285.16922	74.8
286.17264	1.7
301.25323	1.4
303.23135	1.1
317.24484	2.9
335.25751	65.9
336.25934	2.3
417.31644	0.6
421.25839	0.5
435.32330	2.9
447.31055	0.7
453.33560	2.6
471.34409	1.5
473.32910	0.5
509.36203	0.8
527.37213	14.5
528.37408	0.6
545.38293	100.0
546.38586	5.8
759.93591	0.5
769.40094	0.6
904.47919	1.2
912.92712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03883	1.8
67.05495	60.9
67.05833	3.0
67.05985	1.7
69.03368	2.4
69.07057	8.2
71.04979	13.5
73.02849	2.0
77.03863	0.8
79.05481	24.0
81.03348	2.4
81.07046	27.9
83.04969	3.1
83.08604	5.6
85.02891	8.8
85.06486	1.9
91.03942	4.9
91.05468	16.7
93.07034	27.5
95.04947	3.3
95.08592	22.8
97.02879	3.8
97.06528	3.6
97.10101	1.7
99.08035	1.0
105.04444	0.7
105.07003	7.2
107.04880	0.7
107.08573	15.2
109.06434	1.5
109.10138	47.3
111.07996	2.2
117.06997	3.8
119.08559	12.7
121.10123	11.3
123.11633	2.0
125.09589	0.8
127.03805	1.5
129.06906	0.8
131.08551	5.2
133.10106	6.1
135.11679	12.6
137.09595	7.4
137.13078	0.6
139.11073	0.9
143.08447	1.2
145.04860	1.9
145.10092	5.6
147.11650	4.0
149.13248	3.3
155.10571	2.4
157.10063	1.0
159.11702	3.3
161.13228	2.8
161.14386	0.5
163.06064	2.6
163.11133	1.9
163.14778	1.0
169.12172	1.0
173.04390	0.8
173.11739	6.8
173.13127	1.2
175.14763	1.2
181.12199	1.6
184.07256	2.3
185.13156	0.9
187.13188	1.3
187.14713	1.3
196.73654	0.5
211.13293	0.6
213.14777	1.3
229.14311	1.5
243.15921	1.3
255.15903	4.9
261.22122	2.9
267.15622	0.6
285.16788	0.8
287.18469	15.0
317.24603	1.0
335.25751	24.4
335.29831	1.2
397.31152	1.2
423.32480	0.7
431.22650	0.8
471.34598	3.5
489.35681	90.2
490.36157	3.9
497.36426	1.0
503.37308	2.8
515.37231	18.6
521.38391	0.8
529.38440	0.7
533.38470	1.3
547.39868	100.0
548.40198	6.9
659.42017	0.9
691.43872	1.3
906.50085	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	906.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03859	2.3
67.05415	70.0
67.05991	2.3
68.05765	1.2
69.03344	3.1
69.06979	7.2
71.04900	14.1
71.05329	1.2
71.54008	1.3
73.02824	2.7
79.05396	24.9
79.05888	2.1
81.03335	2.3
81.06958	30.6
81.07484	1.8
83.04891	2.3
83.08517	4.7
85.02891	9.1
85.03361	1.3
85.06437	3.1
86.09644	0.7
87.04398	0.9
91.03946	5.8
91.05463	20.0
93.07030	32.4
93.07590	1.5
95.04929	4.3
95.08591	21.6
96.04397	0.6
97.02886	4.6
97.06525	3.3
97.10104	1.5
99.04333	0.8
99.08025	0.9
105.07018	8.7
107.08576	16.8
109.06421	1.9
109.10138	54.6
109.10849	1.8
110.10401	1.0
111.08038	4.0
117.06985	3.6
119.08558	13.6
121.10123	12.9
123.07987	1.1
123.11591	2.4
124.99981	0.8
125.09502	0.7
127.03783	2.0
129.06912	1.1
131.08545	5.4
133.10126	6.4
135.11673	15.4
137.09605	8.5
139.11009	0.9
143.08455	0.7
145.04819	2.3
145.10078	6.0
147.11682	4.1
149.13223	3.0
151.10977	0.7
153.12686	0.7
155.10541	1.7
157.10037	1.3
159.11725	3.0
161.13145	2.6
163.05898	2.6
163.11041	2.5
163.14760	1.0
165.12651	1.1
167.99706	0.7
169.12201	1.3
171.11610	1.0
173.11609	7.5
173.13147	3.2
175.14804	1.3
181.12094	2.0
184.07201	2.9
187.13219	1.0
187.14749	1.4
191.58691	0.7
202.04008	0.6
213.14742	0.9
229.14247	1.4
243.15782	1.5
243.20866	1.9
255.15869	5.2
259.20547	1.0
261.21927	2.4
282.27182	0.8
287.15497	1.1
287.18488	16.4
288.18637	0.7
334.77856	0.7
335.25763	22.7
336.25961	0.9
363.43973	0.7
377.27319	0.6
386.34079	0.6
397.30832	1.2
423.32327	1.4
431.22559	0.8
453.34357	0.8
471.34625	3.0
489.35675	91.6
490.36133	6.0
497.36493	1.1
503.37256	3.4
515.37286	17.7
516.37531	0.7
547.39874	100.0
548.40289	5.8
566.13074	0.8
633.39905	0.8
691.44153	2.3
906.50403	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	909.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.6
69.03424	3.1
69.07063	0.6
71.01350	0.7
71.04989	0.7
71.54504	0.4
73.02906	3.5
79.05486	2.3
81.03407	2.3
81.07051	3.0
83.08604	0.6
83.21116	0.2
85.02892	6.3
87.04459	0.3
91.03940	3.4
91.05478	1.6
93.07029	3.2
95.04978	0.5
95.08591	1.9
97.02875	5.6
99.04459	1.0
103.03950	0.4
105.07031	1.2
107.08599	1.2
109.02856	0.9
109.10175	1.0
115.03920	0.5
119.08601	0.8
119.90470	0.3
121.10126	1.4
127.03857	1.6
131.08571	0.6
133.10168	0.8
135.11673	0.6
140.61568	0.3
145.05028	0.3
145.10176	0.3
147.11761	0.3
149.13284	0.4
149.82451	0.2
157.10167	0.3
157.45407	0.3
159.08072	0.3
175.11250	0.4
184.07327	0.4
185.04263	0.7
203.05330	0.6
214.25035	0.3
221.09021	0.3
243.08392	1.5
251.12830	0.4
269.12457	0.4
335.25964	0.9
347.09534	1.3
355.62717	0.3
363.08966	0.4
365.10806	0.9
405.13617	4.2
421.13141	0.4
469.20377	3.5
519.29120	5.0
520.30383	0.3
597.02460	0.3
631.25818	2.5
681.34363	6.3
747.43085	1.2
850.16864	0.3
909.48029	100.0
910.48462	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	909.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13969	0.3
67.05503	3.2
69.03418	3.6
69.07055	0.7
71.01340	0.6
71.04980	0.5
71.31129	0.7
73.02917	4.8
73.11986	0.3
78.28547	0.3
79.05482	2.6
79.19794	0.3
81.03413	2.9
81.07047	2.9
83.04967	0.6
83.08627	0.6
85.02895	7.4
87.04446	0.5
91.03938	3.8
91.05462	2.7
93.07023	2.8
95.04976	1.0
95.08601	2.0
97.02882	6.9
97.10185	0.4
99.04470	1.1
105.07035	1.0
107.04992	0.3
107.08584	1.2
109.02884	0.9
109.10171	1.2
112.99373	0.3
115.03949	0.7
119.08582	0.9
121.10146	1.1
123.11715	0.5
127.03894	2.2
130.16341	0.3
131.08612	0.7
133.10150	0.9
135.11736	0.7
140.35324	0.4
145.04935	0.4
147.11702	0.8
184.07431	0.7
185.04257	1.0
193.12386	0.4
201.03955	0.3
203.05255	0.6
243.08380	2.0
251.12743	0.6
261.22180	0.4
269.12463	0.7
276.40536	0.3
335.25790	0.5
347.09464	2.5
365.10599	0.8
398.14783	0.3
400.98917	0.3
405.13565	5.4
462.49023	0.3
469.20395	3.7
485.22552	0.4
519.29224	5.7
631.25555	3.0
681.34473	6.2
736.52283	0.3
747.42767	1.9
909.48065	100.0
910.48285	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	914.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14187	0.4
67.05490	8.5
69.03371	1.5
69.07055	4.3
71.01318	0.7
71.04931	1.2
71.08621	15.8
73.02864	1.3
79.05473	5.4
81.03406	42.7
81.07041	11.9
81.85681	0.4
83.04967	2.3
83.08605	14.4
85.02895	4.0
85.06501	1.0
85.10171	9.4
89.05984	0.8
91.03944	3.3
91.04970	0.6
91.05469	8.5
93.07024	4.3
95.04951	13.7
95.08590	13.3
97.02870	3.2
97.06452	0.5
97.10159	3.5
98.74130	0.4
99.11708	0.7
105.07007	5.5
107.04279	0.4
107.04946	2.7
107.08565	2.1
109.06454	1.7
109.09447	0.5
109.10140	6.3
111.04401	1.0
111.07484	0.4
111.08069	5.0
111.11697	0.7
115.03895	0.5
115.05437	0.6
116.06239	0.5
117.06963	0.6
119.04888	0.7
119.08562	7.4
121.06435	1.4
121.10137	2.5
123.04381	1.1
123.08005	0.8
123.11707	2.6
127.03842	1.3
128.50513	0.4
129.06987	4.4
131.08560	4.0
133.06427	1.4
133.10098	2.5
135.11615	0.6
137.09557	0.8
142.07709	1.3
143.08556	0.6
145.04930	1.7
145.10101	1.2
147.04332	0.8
147.07996	1.8
147.11684	4.1
149.09595	3.1
157.10088	5.6
163.06021	2.3
163.11169	1.1
165.12762	0.6
166.51620	0.4
175.11157	6.3
193.12219	20.1
211.13234	1.0
235.13190	1.0
239.23648	1.4
249.14792	1.5
257.24741	1.6
259.13257	1.4
267.15869	100.0
268.16214	1.7
273.14767	0.6
301.14340	2.0
309.16946	2.6
313.27310	92.4
314.27689	2.6
319.15469	0.9
375.17996	0.7
393.19107	0.8
398.71970	0.5
435.22934	0.4
505.38806	82.9
506.39566	2.8
523.39758	0.6
547.39935	6.4
589.41064	0.8
601.40771	1.9
613.40833	2.2
631.41876	1.9
649.43146	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	915.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.6
67.05503	1.7
68.99781	13.5
69.78124	4.5
70.15108	0.8
75.93819	0.7
77.81137	0.7
81.03410	5.1
83.04952	1.6
85.02920	1.2
93.03401	1.0
95.04948	1.6
98.20736	1.1
99.04479	0.8
105.03364	1.6
107.04995	0.9
109.02868	7.4
111.00793	15.6
111.04437	1.7
115.05471	1.4
119.04973	1.1
121.02833	1.7
122.43063	0.8
123.04424	19.4
127.03902	99.6
128.04239	1.3
131.04953	1.1
133.02838	6.7
135.04388	3.2
136.06145	0.7
139.03886	100.0
140.04219	1.0
141.06990	1.0
145.02773	1.3
147.04401	8.7
149.02359	3.8
149.06001	1.7
151.03886	52.4
152.04225	1.1
153.01816	1.7
153.05409	1.4
155.03386	6.4
157.02853	1.0
157.06462	1.2
159.04401	1.9
161.02368	1.7
161.05960	3.1
162.03093	0.8
163.03897	13.7
163.56279	0.7
165.01807	0.9
165.05457	3.1
167.03360	3.0
169.04927	4.0
169.06300	1.0
171.04401	3.6
173.06013	1.0
175.03883	14.3
177.01797	0.8
177.05431	9.2
179.03377	74.8
180.03778	1.9
181.04910	4.8
183.04419	0.9
185.06001	2.0
187.03899	2.0
189.05461	6.9
191.03389	12.1
193.04976	3.1
197.05989	0.9
199.03899	6.6
201.05486	3.8
203.03366	26.7
204.03780	0.8
205.04916	2.7
211.03993	0.8
213.05484	8.0
215.03372	1.6
216.04205	0.9
217.04941	9.8
219.03049	0.8
219.06383	1.8
221.04382	2.1
223.02423	3.9
223.85556	0.8
225.05405	1.5
227.03293	2.8
229.04889	5.8
231.02815	0.9
231.06592	3.8
233.04398	5.6
235.06100	0.8
237.05383	1.0
241.04939	6.5
243.06535	1.3
245.04428	97.2
246.04912	1.5
247.02295	0.9
247.06049	1.8
251.05482	1.2
253.04886	1.9
257.04453	17.9
258.05148	2.1
259.05981	5.2
261.03973	0.9
263.05481	54.1
264.05905	1.6
269.04401	7.6
270.05093	0.9
271.06006	3.8
273.03772	1.6
274.04559	0.9
275.05469	24.0
277.07056	2.6
279.06470	1.0
281.04401	1.8
283.05725	1.1
285.03891	2.3
286.04755	1.0
287.05466	65.4
288.05826	3.3
289.06961	2.5
295.05969	2.2
297.03836	1.9
299.05484	22.7
300.84479	0.9
303.04984	1.6
305.06522	25.3
307.02515	0.7
307.05167	1.1
307.08194	17.0
309.04019	1.0
310.52786	0.7
311.05399	2.9
317.06528	16.9
321.03979	1.0
321.07550	1.9
323.05457	1.4
329.06546	1.7
331.05878	0.9
335.05133	1.4
337.06934	1.0
339.04947	1.5
347.07852	1.5
349.07016	1.4
351.04846	2.4
361.06961	1.1
377.06479	1.9
381.05954	1.6
393.05923	2.9
395.07495	2.0
399.06757	1.2
405.06146	6.8
407.07510	2.9
411.07455	1.3
413.08655	7.0
417.05966	2.0
423.01761	1.4
423.07101	20.4
424.07715	1.1
425.08636	20.0
435.07065	6.3
437.08682	2.3
441.08066	11.3
443.09637	19.4
444.09998	0.9
447.07016	2.2
449.08472	0.8
453.08020	3.9
455.09613	1.4
465.07880	3.3
467.09845	4.5
543.08771	2.2
549.09790	2.6
561.10187	3.6
567.11041	1.8
573.09576	1.7
585.09991	2.0
603.10541	1.0
611.13446	1.6
621.12225	0.9
631.32245	0.9
711.13062	1.0
729.13763	2.3
747.15137	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	915.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.6
67.05482	1.6
68.99776	11.1
69.67279	2.2
69.67690	4.8
70.12006	1.1
77.03493	0.9
77.03946	1.5
81.03411	3.9
82.34869	1.2
83.04946	1.5
85.02879	1.2
91.05464	1.5
98.21451	2.0
105.03400	2.1
107.04950	1.1
109.02852	8.1
111.00776	12.4
111.04405	1.7
111.36351	1.3
119.04919	1.9
121.02819	2.4
122.77198	1.2
123.04420	19.2
127.03902	74.0
128.04276	1.5
133.02820	7.1
135.04391	4.9
136.06200	2.0
137.02318	1.0
139.03883	100.0
140.04266	1.9
147.04388	8.1
149.02356	5.4
150.03036	1.3
151.03888	63.9
153.01761	1.7
155.03368	12.3
155.04567	1.5
159.04384	1.7
160.07510	1.2
161.05957	2.3
163.03908	14.2
165.05457	3.1
167.03348	3.8
169.04939	3.4
171.04372	2.4
175.03889	14.1
177.05466	8.3
179.03368	66.3
181.04953	3.6
183.04517	1.7
185.05878	1.9
189.05383	5.6
191.03349	8.2
193.04956	3.0
197.05997	2.2
199.03848	5.2
201.05392	2.1
203.03354	24.8
205.05002	2.7
211.03888	1.3
213.05446	9.4
215.03253	2.1
217.04964	8.9
219.02892	1.6
219.06523	1.6
223.02394	3.2
227.03322	1.9
229.04956	8.4
231.06473	4.5
233.04391	4.1
235.06056	1.2
241.04893	5.3
242.05696	1.2
245.04422	73.9
246.04701	1.5
247.05933	2.3
251.05472	1.9
253.05009	2.5
257.04422	20.4
258.05063	2.3
259.05954	4.3
263.05481	43.9
265.05011	1.3
269.04446	7.9
271.05975	5.8
275.05466	24.3
277.07028	5.2
283.05969	2.1
285.03937	2.1
287.05463	69.5
288.05716	3.2
289.06979	3.5
295.06088	2.2
297.03903	2.8
299.05505	19.8
303.06400	1.5
305.06522	28.1
306.06851	2.2
307.08200	12.0
309.03741	1.9
311.05530	3.4
317.06540	20.6
321.07541	2.7
329.06454	3.7
347.07773	1.3
349.06903	1.7
351.04999	2.0
361.07083	1.5
369.16202	1.3
377.06342	2.1
393.05972	4.2
395.07455	1.9
399.07080	2.6
399.30286	1.4
405.05972	8.0
407.07199	2.8
413.08606	4.4
417.05905	2.2
423.07062	22.0
424.07767	1.4
425.08655	18.5
435.07141	6.0
437.08380	1.8
441.08102	16.8
443.09698	30.5
444.09955	1.8
453.08087	3.1
465.08185	3.9
467.09631	4.5
483.09384	1.8
485.10632	2.1
542.35498	1.2
561.09882	5.1
567.10992	3.2
573.09760	1.9
603.10553	1.6
611.13171	2.2
711.12848	1.9
729.14185	1.9
747.15228	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	915.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.5
67.58569	0.9
68.99783	12.0
69.03423	1.3
69.83186	1.9
69.83585	3.5
72.48352	0.9
73.02898	1.0
81.03391	4.8
83.04977	1.7
85.02892	1.8
95.04956	2.4
97.02873	1.4
105.03388	1.5
107.04893	1.0
109.02880	7.3
111.00794	11.7
111.04412	3.8
116.98574	1.3
117.74212	0.9
119.04939	1.4
121.02824	2.5
123.04423	17.7
127.03899	100.0
128.04242	1.0
133.02863	5.6
135.04375	4.4
136.06149	1.7
137.02345	1.3
139.03886	94.3
145.02910	1.8
147.04373	8.2
149.02266	2.5
151.03882	49.0
153.01797	1.7
153.05380	1.4
155.03366	8.5
157.06451	1.4
159.04355	2.2
161.02342	1.4
161.05923	2.3
163.03883	18.3
164.04176	1.5
165.05486	2.9
167.03362	2.7
167.04803	1.1
169.04941	3.2
171.04376	2.5
173.05995	1.4
175.03902	13.6
177.05463	7.1
179.03368	64.7
180.03664	1.2
181.04919	2.5
185.05864	2.1
187.03955	1.5
189.05484	5.1
191.03365	9.5
193.04929	3.8
195.06500	1.0
197.05836	1.6
199.03867	5.9
201.00557	1.4
201.05478	3.9
203.03381	23.2
204.49156	1.1
205.04868	2.3
211.03911	1.3
213.05446	8.2
215.03511	1.8
217.04863	10.3
218.68701	1.0
219.06523	1.8
221.04527	1.1
223.02432	1.9
225.78215	1.1
229.04968	6.9
231.06526	3.8
233.04251	5.8
241.04915	4.0
245.04433	45.0
246.04790	1.4
247.05966	1.8
251.05403	1.5
253.04968	1.6
257.04401	21.4
258.05023	1.3
259.06067	5.4
263.05475	53.0
269.04395	8.3
271.05948	3.5
275.05493	19.1
277.07007	3.5
281.04361	2.1
283.06021	1.8
286.45004	1.0
287.05466	61.4
288.05731	1.9
289.07001	2.2
293.04315	1.1
295.05795	1.5
297.03772	1.3
299.05457	16.4
305.06546	26.8
306.07025	1.4
307.08224	14.0
309.03772	1.6
311.05441	2.3
317.06531	21.5
321.07382	1.5
323.05386	1.2
329.06598	2.3
331.06277	1.5
337.07434	1.4
349.06870	1.4
351.04987	3.9
363.05176	1.2
381.05771	2.5
393.05786	6.8
395.07343	3.3
399.06915	2.8
405.06207	5.6
407.07693	2.8
411.06961	1.6
413.08194	3.2
417.05856	3.6
423.07123	11.1
424.07742	1.4
425.08597	18.5
435.06857	5.3
437.08661	2.3
441.08252	11.2
443.09698	31.6
447.07007	1.6
453.07919	1.8
465.08112	2.1
467.09473	4.1
485.10550	1.6
543.08929	3.2
549.09882	4.5
561.10223	7.8
567.10327	3.4
573.09851	1.5
611.13666	1.7
621.12744	2.1
711.13379	1.8
729.14569	4.9
747.14923	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	916.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	5.2
67.05498	76.5
69.03424	4.4
69.07058	16.8
71.04970	3.8
79.05484	50.9
81.03416	11.2
81.07046	64.4
83.04968	4.9
83.08607	18.4
85.02917	4.6
85.06512	2.5
89.86905	1.9
90.27500	1.7
91.05468	32.5
93.03387	2.3
93.07034	52.4
95.01325	16.0
95.04956	15.1
95.08593	45.5
97.02879	3.1
97.06492	2.6
97.10158	26.8
97.93791	1.9
105.07027	30.3
107.04968	9.3
107.07947	3.0
107.08588	34.0
109.02872	2.6
109.06490	6.6
109.09547	2.4
109.10145	23.6
111.08080	4.0
115.05461	3.4
117.07008	13.2
119.04903	2.8
119.08552	16.7
121.02827	5.2
121.06466	5.1
121.10133	18.3
123.04408	11.0
123.08028	5.2
123.11665	5.3
125.02300	2.6
125.09611	22.1
127.03913	3.5
129.06975	9.6
131.04890	3.5
131.08513	20.6
133.06488	4.9
133.10092	13.8
135.04434	14.0
135.08028	7.2
135.11647	15.1
135.12526	2.2
137.02307	3.4
137.05948	4.0
139.03906	3.4
139.51208	1.7
141.06943	5.5
142.07773	2.9
143.08536	7.6
145.06445	6.4
145.10114	17.3
147.04375	8.2
147.11659	11.2
149.02327	4.8
149.05981	4.0
149.09599	3.3
149.13214	5.6
151.03897	33.5
153.09119	4.7
154.07730	2.1
155.08493	7.1
157.06485	2.5
157.10118	10.7
159.04390	3.6
159.08046	3.4
159.11673	9.0
161.05978	5.3
161.09590	3.4
161.13188	6.3
163.03882	25.7
163.11140	3.4
165.01788	5.2
165.07007	2.9
167.03339	4.8
167.08537	5.2
169.04993	3.1
169.06465	2.5
169.10115	8.0
171.04401	3.6
171.07988	3.1
171.11653	7.0
173.04445	2.8
173.05986	3.5
173.09587	4.0
173.13220	7.5
175.03871	8.1
175.11147	3.5
175.14806	2.7
177.01810	3.2
177.05450	4.8
179.03305	5.2
181.04884	3.1
181.10081	6.4
183.08041	1.9
183.11644	5.9
185.05890	2.1
185.09613	7.0
185.13264	4.8
187.03900	4.8
187.07437	2.2
187.11072	3.9
189.01794	3.6
189.05411	10.6
189.11128	10.6
191.03328	5.3
193.04910	3.2
195.08063	5.0
195.11676	4.5
195.63644	2.2
197.09647	3.6
199.03860	23.3
199.11165	3.6
201.05463	5.4
201.09045	2.9
203.10530	3.7
205.04941	10.7
205.10222	2.3
207.11722	2.4
209.09575	3.0
209.13194	4.0
211.07529	3.4
211.11153	4.5
211.14815	4.2
213.05389	4.3
213.09122	6.0
215.06943	2.6
215.10625	4.0
217.04962	5.2
221.04274	8.8
221.09503	3.1
221.13390	2.9
223.07582	2.0
225.09013	4.6
227.10591	2.8
227.12750	6.9
229.04845	2.2
229.08524	3.3
229.12268	2.4
231.10004	9.4
237.09111	2.9
239.05396	3.4
239.10759	4.8
241.08469	2.6
241.12173	2.1
243.10176	7.7
249.09097	2.8
251.05457	8.1
253.08551	4.4
255.10033	10.5
257.08020	5.9
257.11661	4.5
259.20572	5.6
261.22122	5.5
267.10132	5.3
269.11472	2.4
273.11133	3.0
283.09476	2.9
285.11145	10.7
289.10504	2.9
295.09625	2.6
297.11230	2.9
301.10687	3.2
303.12170	13.5
313.10587	6.7
319.11600	2.8
321.13327	9.9
331.11462	9.2
333.13150	3.8
333.24319	4.4
335.25745	74.9
349.12711	12.6
367.13635	5.3
375.14401	11.1
405.15271	3.0
421.23413	3.0
423.16443	89.7
423.22131	4.3
424.16806	3.3
425.18121	4.1
433.30942	3.3
439.24557	3.1
441.17554	19.1
463.88867	2.4
483.30240	2.2
507.34900	2.8
517.34454	2.3
525.35846	11.3
526.36304	7.2
555.31049	2.6
565.34729	2.8
573.31635	5.7
583.35907	2.2
591.32892	8.5
609.33813	7.8
617.34924	3.5
619.35730	3.8
627.35614	3.1
629.34375	2.6
635.35785	26.4
637.37372	2.8
647.35480	6.1
655.37646	4.5
665.36603	23.5
673.39105	2.3
683.37823	70.1
684.38245	3.4
701.38824	100.0
702.38843	6.4
719.40125	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	916.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.6
67.05496	59.8
69.03418	7.7
69.07059	16.3
69.92100	6.2
71.04978	2.3
77.03866	2.4
79.05483	49.3
81.03413	11.0
81.07045	55.0
83.01315	1.6
83.04967	5.5
83.08604	18.9
85.02894	2.4
85.06509	3.2
91.05470	28.2
93.07028	41.3
95.01321	13.4
95.04945	15.9
95.08597	42.2
96.39480	1.4
97.02885	4.7
97.06524	4.7
97.10162	30.3
105.03347	2.2
105.04485	2.1
105.07021	17.6
107.04953	13.1
107.08575	30.6
109.02861	6.2
109.06478	3.9
109.10144	18.5
111.04432	3.0
111.08080	2.9
115.05457	3.6
117.07036	12.4
119.04907	4.3
119.08569	16.6
121.02856	4.6
121.06479	4.5
121.10124	15.5
123.04423	14.3
123.08054	2.9
123.11690	4.0
125.02316	3.7
125.06019	1.8
125.09612	29.0
127.03876	2.1
129.06960	7.5
131.04933	5.2
131.08556	17.0
133.06477	3.9
133.10083	13.2
133.10963	1.7
135.04399	28.6
135.08031	5.8
135.11670	11.4
137.02304	2.0
137.05966	2.3
139.03851	2.2
141.01845	2.0
141.06976	5.0
142.07742	1.9
143.08534	5.6
145.06523	2.8
145.10121	13.3
147.04367	5.6
147.11700	7.2
149.02318	5.2
149.05933	2.2
149.09596	3.2
149.13274	4.9
151.03886	57.8
153.09032	3.7
155.08553	7.6
157.06424	3.6
157.10162	9.4
159.04388	3.6
159.07959	2.9
159.11653	8.2
161.05956	4.0
161.09630	1.8
161.13220	4.2
163.03871	14.0
163.11192	3.9
163.14777	3.0
165.01849	5.0
165.05521	2.3
165.07005	2.1
167.03374	5.1
167.08548	5.5
169.04973	8.1
169.10130	4.5
171.10228	2.1
171.11676	4.7
173.05949	3.5
173.09583	3.2
173.13234	6.0
175.03897	5.5
175.11185	2.5
175.14699	2.0
177.05482	2.8
177.12723	1.6
179.03433	5.5
181.04967	2.4
181.06448	2.0
181.10120	3.5
183.11673	5.6
185.05949	3.7
185.09610	3.9
185.13199	3.7
187.03857	1.9
187.07448	3.0
187.11150	4.3
187.14899	2.0
189.01781	2.8
189.05467	9.9
189.11203	17.7
191.03368	4.7
191.10655	2.1
193.10237	1.8
193.12221	3.8
195.08070	2.1
195.11681	1.7
197.09610	3.0
197.13116	1.9
199.03847	16.4
199.07582	1.7
199.11269	1.7
199.14804	2.8
201.05501	3.7
201.09015	2.5
203.10580	3.1
205.04910	3.5
209.09555	2.3
211.07501	1.8
211.11230	2.1
211.14740	1.9
213.05516	2.0
213.09235	3.9
215.03403	1.6
215.10576	2.6
217.04938	2.5
221.04376	5.1
225.08939	1.6
227.10664	4.3
227.12769	9.5
229.04938	2.5
229.08615	3.4
229.12180	1.9
231.10181	6.4
239.10683	2.6
241.12196	2.3
241.19498	3.3
243.10223	4.8
243.20909	1.7
247.09543	1.8
251.05457	4.3
253.08647	2.1
255.10110	6.8
257.08002	4.8
257.11694	2.7
259.20557	5.2
261.22198	8.2
267.10068	3.5
271.09555	2.0
280.90573	1.7
285.11179	6.1
285.21921	3.6
287.12769	2.4
289.10672	2.9
301.10721	2.6
303.12262	9.9
313.10593	4.2
313.27243	2.3
319.11615	3.4
321.13290	8.8
331.11688	9.4
333.24142	4.9
335.25766	89.3
336.25928	1.9
349.12753	13.8
357.13348	3.6
367.13892	7.7
375.14368	10.1
387.14435	2.2
403.22961	1.8
405.15344	3.7
423.16397	49.4
425.17975	2.2
433.30908	1.8
439.24927	2.8
441.17523	51.2
457.25647	3.0
459.18488	6.6
491.30804	2.1
525.35596	5.4
526.36279	5.0
543.36768	3.3
555.30548	3.8
563.33984	3.5
565.34918	1.9
573.32446	4.0
581.34442	2.7
583.36426	2.1
591.33063	7.9
605.34430	2.3
609.34174	9.2
617.34406	3.8
623.34918	1.9
627.34717	5.6
635.35553	22.9
637.37225	4.5
647.35443	5.0
653.35925	1.9
655.37952	6.0
665.36615	20.5
683.37836	64.9
701.38843	100.0
702.38971	2.8
719.39856	25.6
841.14990	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	918.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03848	0.6
67.05360	11.2
67.05766	3.4
69.03278	2.2
69.03688	1.1
69.06924	3.3
69.07323	1.0
71.04840	2.3
71.53211	0.7
73.72887	0.5
74.94360	0.4
78.29276	0.5
79.05336	14.5
79.05855	3.2
81.03256	35.4
81.06895	12.1
81.07430	2.8
83.04822	3.3
83.08459	11.0
83.09010	2.1
85.02752	1.8
85.06412	1.0
87.74400	0.5
89.01614	0.5
91.03805	1.2
91.05308	10.1
91.05921	1.7
92.14001	0.5
93.06870	9.6
93.07520	1.5
95.04792	17.3
95.05468	2.5
95.08436	6.0
95.09087	1.1
95.13531	0.5
97.02714	2.5
97.06354	2.1
97.09988	10.8
97.10670	1.5
99.08000	0.6
105.03271	0.5
105.06847	9.5
105.07639	1.3
107.04770	10.5
107.05589	1.4
107.08414	8.3
107.09195	0.7
109.06329	6.0
109.09963	4.3
111.04256	1.4
111.04961	0.5
111.07888	3.7
113.05869	0.6
115.05328	1.0
117.06821	4.3
119.04794	1.1
119.08385	8.9
121.06317	8.5
121.07275	0.7
121.09942	7.0
123.04205	1.9
123.07867	3.5
123.11547	0.7
125.09434	9.1
127.03786	1.1
128.06042	0.6
129.06802	6.9
131.04745	1.3
131.08365	8.3
131.09381	0.6
133.06290	2.7
133.09921	4.8
135.04153	0.6
135.07841	3.9
135.11491	1.9
137.05783	1.4
137.09445	1.3
139.10994	0.8
140.53354	0.5
141.06778	1.4
142.07629	1.4
143.08374	1.8
145.06271	5.6
145.09909	3.8
147.04208	1.6
147.08035	4.3
147.11655	6.5
149.05861	0.6
149.09612	4.4
153.06606	0.5
153.09071	2.5
153.12561	0.8
155.08350	1.8
157.06306	1.1
157.10120	5.8
159.07857	1.4
159.11520	1.1
161.05838	0.9
161.09421	1.6
163.05893	0.9
163.11150	2.8
165.12633	1.1
167.08366	0.8
167.10570	0.7
169.09904	1.4
171.07846	1.5
171.10167	0.5
171.11464	2.0
173.09477	1.0
173.11659	0.7
173.13069	1.2
175.07440	0.7
175.11192	5.2
177.12573	1.0
177.72104	0.5
180.09064	0.5
181.09953	1.1
183.07808	0.6
183.11458	0.6
185.09514	1.2
185.13121	0.7
187.10976	1.5
187.14629	1.2
189.09190	0.8
189.11011	5.9
189.12636	1.5
189.40399	0.5
191.14082	1.0
193.12233	14.4
195.07774	0.5
195.11617	1.2
197.09502	1.0
197.13060	1.4
199.10947	1.1
199.12836	0.6
201.12524	0.6
202.07596	0.5
205.11998	1.8
211.11024	0.7
211.13120	1.4
213.12529	1.1
215.14354	2.6
217.12144	1.0
219.13579	2.2
223.11057	0.6
223.13039	1.4
225.12611	1.1
227.12553	1.9
227.14421	1.1
231.13655	1.5
233.15373	3.6
235.13110	1.8
237.12578	1.6
237.14661	0.8
241.11877	0.6
241.14087	1.0
243.13728	0.9
245.15274	0.8
249.14738	1.5
255.13522	1.8
257.15274	0.9
259.13080	1.6
261.14819	0.6
261.84286	0.5
264.20175	0.5
267.15887	47.4
268.16098	1.0
269.15283	0.5
273.14703	6.6
273.17130	0.7
275.16260	1.1
287.16254	0.6
289.17862	0.6
291.15707	0.8
293.17456	1.0
301.14035	0.7
309.16769	1.6
331.20404	0.9
339.23099	2.3
349.21509	4.4
357.24258	2.4
367.22614	11.3
385.23660	19.1
386.24307	0.6
403.24710	6.5
421.25525	0.6
441.26309	8.7
459.27359	100.0
460.27814	3.1
477.28439	88.8
478.28870	2.9
483.27972	0.6
489.28717	0.6
491.30014	11.8
492.30417	0.6
501.28479	6.0
509.31082	5.9
513.28546	1.2
519.29498	0.6
531.29529	1.8
541.34235	0.9
543.29529	1.7
555.29645	1.2
567.29486	5.2
573.30304	0.7
585.30585	2.1
603.31787	1.8
621.32910	0.9
708.19336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.0
67.05499	51.5
69.03419	2.3
69.07056	9.3
70.01039	5.7
70.01355	1.3
71.01344	1.6
71.04978	2.9
73.02895	4.1
77.03910	1.2
79.05481	36.7
79.05939	1.8
80.05823	1.0
81.03404	6.3
81.07046	49.9
83.04961	4.7
83.08607	12.6
85.02895	11.4
85.06522	3.4
91.03953	5.3
91.05469	31.7
93.07032	42.1
95.01291	2.6
95.04967	7.5
95.08593	34.4
97.02879	8.9
97.06496	2.8
97.10162	4.7
99.00787	10.1
99.04461	1.4
99.08085	1.2
101.02332	1.0
103.05449	1.3
105.07018	23.1
107.04950	7.1
107.08575	25.3
109.02861	8.7
109.06482	3.1
109.10134	18.3
109.98353	1.0
111.04443	1.3
111.08069	3.7
115.03886	1.7
115.05473	1.2
117.07000	8.6
119.08572	15.7
121.06496	6.5
121.09303	1.1
121.10128	17.9
123.04399	1.3
123.08059	3.5
123.11690	7.0
125.09604	1.5
127.03896	3.7
128.06226	1.3
129.06975	4.3
131.08543	12.6
133.06461	2.2
133.10115	35.4
135.08061	2.1
135.11684	11.4
137.05948	1.9
137.09642	1.6
137.13239	1.6
139.03934	1.1
139.07494	2.1
143.08553	7.2
145.04965	2.2
145.06447	1.8
145.10089	7.7
147.04442	1.0
147.07996	1.6
147.11642	6.8
149.05957	1.1
149.09612	2.2
149.13272	5.7
151.03909	2.7
151.11134	6.7
153.09070	1.0
155.08566	1.3
157.10109	2.9
159.11720	7.6
161.05840	1.0
161.09599	12.2
161.13220	4.4
163.05969	3.2
163.11156	2.7
163.14760	3.9
169.10089	1.8
171.08014	3.1
171.11646	1.9
173.09563	1.4
173.13240	4.1
175.11134	2.0
175.14807	2.1
177.16344	1.3
179.10643	7.1
181.10173	1.6
184.07272	1.6
185.13243	1.6
187.11086	2.1
187.14824	2.6
189.09108	5.0
193.12207	1.9
197.11639	2.1
199.14783	1.2
207.10106	2.7
207.13698	1.2
225.11143	9.2
227.12706	1.0
243.12193	2.0
243.21075	5.4
243.23274	0.9
259.20517	1.9
261.22101	18.9
267.15848	3.0
277.21561	1.3
281.13849	3.7
299.14850	77.2
300.15378	1.5
315.22983	3.0
317.24646	3.5
333.24231	1.5
335.25748	100.0
336.26053	5.6
351.14288	5.3
353.26572	1.2
403.29480	1.1
425.18002	3.7
443.19009	5.6
449.30212	1.2
467.31393	4.0
485.32477	3.4
513.35693	3.4
515.37488	1.3
527.37415	5.2
531.36322	3.1
541.35236	15.4
543.18231	1.1
545.38525	2.0
559.36224	54.7
560.36346	3.2
577.37085	2.5
611.35455	2.2
667.38354	2.9
685.39264	9.4
703.40472	16.9
704.39050	1.9
721.41620	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	918.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.9
67.05495	62.5
68.05831	1.3
69.03418	4.7
69.07058	14.2
71.01320	1.9
71.04982	2.8
73.02905	3.2
77.03951	1.1
79.05482	47.1
80.05798	1.3
81.03409	13.5
81.07045	67.7
82.07378	1.9
83.01324	1.0
83.04968	5.8
83.08606	13.1
85.02898	11.9
85.06535	3.3
87.04457	0.9
90.58123	1.0
91.03931	5.6
91.05466	41.3
93.07029	58.2
94.07339	1.5
95.01329	7.6
95.04954	13.6
95.08595	43.6
97.02874	11.3
97.06491	5.8
97.10162	5.8
97.87038	1.0
98.21523	1.6
99.00805	9.8
99.04467	1.3
99.08050	1.6
101.02351	1.3
103.05452	3.0
105.03352	1.6
105.07009	28.1
107.04946	12.4
107.08579	31.3
109.02866	8.8
109.06508	7.0
109.10143	27.6
111.04443	3.2
111.08081	4.1
115.03910	1.5
115.05434	1.8
117.06995	12.6
119.04934	3.2
119.08563	22.5
119.09344	1.9
121.02855	2.2
121.06500	8.9
121.09303	1.6
121.10133	22.0
123.00804	1.0
123.04403	6.1
123.08052	3.7
123.11693	7.3
125.02339	3.0
125.05993	1.2
125.09624	4.2
127.03886	4.8
128.06212	2.0
129.06999	7.7
131.04930	3.3
131.08557	16.9
133.06468	5.7
133.10114	32.1
135.04393	5.9
135.08041	5.0
135.11662	13.4
137.02333	1.7
137.05972	2.5
137.09633	3.0
137.13249	2.4
139.03912	2.7
139.07585	2.1
139.11182	1.1
141.01852	2.6
141.06993	2.6
142.07755	1.2
143.04976	1.1
143.08548	8.6
145.04988	2.5
145.06462	4.3
145.10083	14.0
147.04378	7.7
147.08046	3.6
147.11662	9.9
149.05978	2.7
149.09598	2.9
149.13223	6.8
151.03893	10.0
151.11169	6.0
152.04150	1.1
153.05481	2.0
153.09096	1.5
155.08527	4.4
157.06503	3.1
157.10126	8.2
159.04338	1.5
159.08028	2.5
159.11685	8.6
161.05966	4.1
161.09572	9.7
161.13202	6.6
163.03908	6.1
163.05991	1.6
163.07503	2.2
163.11195	2.2
163.14781	2.9
165.01759	1.0
165.05499	1.4
165.06964	0.9
165.09157	2.1
167.08600	1.3
169.04956	3.8
169.10115	3.7
171.08055	4.7
171.11697	5.3
173.05937	2.7
173.09630	1.6
173.11688	2.9
173.13254	6.0
175.03902	6.4
175.07507	1.8
175.11192	5.4
175.14833	2.1
177.05467	2.8
177.12669	2.4
177.16299	1.1
179.03365	2.2
179.07036	1.2
179.10664	5.1
181.04956	1.2
181.10051	2.0
183.07982	1.9
183.11681	2.1
185.06068	1.3
185.09567	2.7
185.13278	3.1
187.03967	1.5
187.07463	1.3
187.11215	4.5
187.14786	3.2
189.05435	3.0
189.09111	6.1
189.11165	2.3
189.12761	2.1
191.03351	2.4
191.10544	1.6
193.04907	1.6
193.12270	3.7
195.08005	1.0
195.11722	1.4
197.09697	2.2
197.11565	1.1
197.13240	1.4
199.03790	1.6
199.07614	1.5
199.11191	2.9
201.12740	1.4
201.16345	1.2
203.10699	1.7
205.10368	0.9
205.12282	2.5
207.10132	2.6
207.11897	1.1
207.13786	2.0
209.09560	1.2
211.13095	1.7
213.05502	1.0
213.09094	1.2
215.10703	3.0
215.14236	1.2
217.04976	1.1
217.12254	3.1
225.09044	2.5
225.11230	7.3
227.10663	2.3
227.12805	2.2
229.29439	1.1
231.09933	1.1
233.11711	2.5
235.13283	1.4
239.12700	1.4
241.12183	2.0
243.10109	2.4
243.12263	1.3
243.21030	6.1
245.11667	2.7
249.14859	1.0
251.10483	1.5
251.12837	2.9
255.10028	1.5
259.13358	2.5
259.20630	2.0
261.11243	2.7
261.14792	1.5
261.22122	17.5
263.12726	1.2
267.15839	2.5
269.11749	3.6
271.13135	1.6
277.14114	1.2
277.21472	1.3
279.12308	1.5
281.13779	1.5
287.12726	9.0
289.14319	3.9
297.22009	1.5
299.14847	59.2
299.24011	1.4
300.15213	1.1
305.13803	4.4
315.12189	6.4
315.23087	3.2
317.24734	1.6
323.14859	1.2
333.13272	10.1
333.24417	1.7
335.25754	100.0
336.26071	6.1
337.26581	1.5
349.12659	1.2
351.14297	10.5
353.15958	1.1
363.18030	1.9
369.15393	2.0
375.13547	1.0
389.15564	1.3
407.16922	11.8
421.31207	1.0
425.18002	13.8
435.32321	1.1
441.17435	1.9
442.17853	1.3
443.19006	15.3
467.31677	3.7
485.32629	2.3
513.35748	2.3
515.37207	1.7
527.37482	5.4
531.36377	2.2
541.35168	7.6
545.38202	2.6
559.36200	25.1
575.33765	1.8
577.37500	2.1
593.34961	2.1
607.36218	1.4
611.36047	4.7
611.44385	1.1
613.37128	2.4
623.38898	3.1
625.36914	2.3
629.36597	2.2
631.37012	2.0
636.36243	1.3
637.36633	1.9
639.38110	1.2
641.39526	2.0
649.36932	1.7
657.39948	1.4
659.40424	1.3
667.38245	29.1
667.49591	1.4
668.38727	1.1
684.37579	1.4
685.39288	40.4
702.38312	2.8
703.40308	51.3
704.40332	1.8
721.41150	6.5
789.50177	0.9
847.44330	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	920.556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.5
67.05495	48.8
69.03423	2.3
69.06711	0.8
69.07063	9.8
71.04983	15.6
73.02917	2.8
73.03241	0.5
78.04647	0.4
79.05482	26.4
81.03439	1.2
81.07046	70.4
82.07396	1.0
83.04963	3.0
83.08611	5.6
85.02895	7.3
85.06525	5.8
91.03949	4.5
91.04881	0.8
91.05470	20.8
93.07030	30.6
95.04980	3.1
95.08591	21.6
97.02885	3.6
97.06519	3.6
97.10156	2.4
99.08080	1.3
103.66125	0.5
105.04530	0.9
105.07014	13.8
107.08576	17.5
109.06500	2.5
109.10141	10.5
111.08066	2.0
113.37669	0.5
117.06980	4.5
118.25042	0.5
119.08583	6.9
121.10129	13.9
123.08063	0.7
123.11687	10.7
125.09629	0.8
127.03902	1.6
127.07543	0.5
129.07034	0.9
131.08548	6.4
133.10123	16.6
135.11674	7.5
145.04976	2.3
145.10120	3.2
147.11664	3.3
149.13248	4.8
151.11147	5.2
153.12823	0.8
159.11662	4.8
161.13213	2.4
163.06055	1.8
163.14828	0.7
168.71417	0.5
168.94490	0.5
169.12288	0.7
171.11636	1.0
173.13200	2.5
175.14836	0.8
177.12747	1.8
183.13785	2.3
185.13248	0.8
187.13300	2.9
187.14758	0.8
189.33696	0.5
195.13870	0.9
201.16380	0.5
227.16373	1.3
229.37129	0.7
243.15997	1.2
243.20999	0.8
257.17416	1.4
259.20816	0.6
261.22159	1.8
269.17426	4.7
301.20068	10.2
335.25757	22.3
336.26093	0.7
411.32495	0.8
417.30624	0.6
455.35434	0.8
485.36154	2.2
503.37262	68.2
504.37271	3.5
511.37399	1.0
517.39197	3.0
529.38885	15.3
530.38940	0.9
553.10474	0.6
561.41418	100.0
562.41913	5.8
705.45337	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	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16844	0.6
65.03873	2.2
67.05496	43.3
67.05822	1.8
68.05793	0.8
69.03373	1.6
69.07064	8.0
71.04988	15.3
71.08605	0.6
73.02853	2.2
73.06504	0.8
79.05484	24.7
79.05934	0.9
81.03352	1.8
81.07047	66.5
81.07721	1.7
82.07344	1.2
83.04966	3.0
83.08612	6.1
85.02904	7.8
85.06528	4.8
87.04448	0.6
91.03941	5.9
91.05467	22.1
93.07034	28.3
94.07310	0.6
95.04957	3.0
95.08595	21.5
96.08851	0.6
97.02865	4.5
97.06508	4.3
97.10103	1.6
99.04391	0.9
99.08039	0.8
105.07018	13.5
106.92885	0.6
107.08584	17.6
109.02833	0.6
109.06451	1.3
109.09479	0.6
109.10143	10.4
111.08011	1.6
117.07015	3.9
119.08572	7.5
121.10132	13.4
123.08035	0.9
123.11697	10.6
125.09552	1.6
127.03911	2.7
129.06905	0.8
131.08551	7.3
133.10120	14.9
135.11659	9.2
143.08492	1.4
145.04887	2.6
145.10127	4.3
147.11682	3.4
149.13242	5.7
151.11162	5.9
153.12677	0.9
155.08469	0.6
157.10016	1.0
159.11665	6.9
161.13237	3.2
163.05995	3.2
163.11203	0.6
163.14777	1.2
169.12167	0.9
171.11700	0.7
173.13190	2.4
175.14771	1.6
177.12708	1.8
177.63452	0.6
179.14264	0.8
183.11577	0.7
183.13712	3.1
185.13153	0.7
187.13205	2.7
187.14748	1.4
189.16220	0.6
195.13770	1.5
197.13177	0.6
201.14767	1.5
227.16321	2.2
229.14276	0.7
231.56969	0.6
243.21112	1.0
253.17955	1.5
257.17453	1.5
259.20468	1.2
261.22043	2.7
269.17480	4.9
301.20044	22.1
302.20438	1.0
317.24808	1.0
335.25766	16.8
336.26129	1.7
351.59781	0.6
355.26035	0.7
361.27158	0.7
411.32498	2.1
429.33463	1.0
437.34369	1.8
438.34753	0.7
445.24258	0.8
455.34854	0.9
485.36115	4.1
503.37250	81.4
504.37610	7.9
511.38083	1.9
517.39111	3.5
529.38818	29.0
530.39130	2.2
543.39978	0.7
547.40143	1.5
561.41425	100.0
562.41998	9.2
705.45972	0.8
851.98505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.0
67.05495	63.1
67.31178	1.0
68.05830	1.2
69.03413	4.9
69.07060	15.4
71.04970	3.9
73.02891	3.0
79.05484	45.4
81.03407	81.2
81.07043	66.0
82.07378	0.9
83.04972	7.3
83.08134	1.6
83.08606	22.3
85.02885	10.3
85.06518	3.4
91.03963	5.0
91.04894	1.2
91.05466	32.2
93.07031	47.4
95.04956	32.6
95.08591	46.7
97.02858	6.7
97.06512	5.7
97.10151	8.5
98.21542	1.9
99.08076	1.5
105.07017	28.9
107.04942	6.4
107.08578	29.8
109.06497	5.8
109.10139	21.4
109.60046	1.0
111.04401	2.4
111.08060	6.5
115.05405	2.5
116.47784	1.0
117.07001	11.7
119.04896	1.1
119.08564	27.7
121.06474	3.8
121.09304	1.9
121.10120	24.3
123.04448	2.2
123.08030	4.5
123.11665	7.8
125.09628	6.5
127.03860	2.7
129.06993	11.5
129.10568	1.1
131.04897	1.4
131.08554	19.6
133.06442	3.5
133.10106	16.4
135.08035	2.9
135.11665	15.5
137.09584	3.0
137.13235	2.2
139.11177	2.2
141.49458	1.0
142.07744	2.3
143.08537	3.0
145.04906	3.4
145.06393	1.0
145.10091	12.9
147.08029	4.0
147.11664	17.2
149.09608	6.5
149.13258	8.1
151.11137	1.8
155.08524	2.1
157.10098	12.1
159.11649	9.1
161.09573	1.2
161.13243	6.8
163.06009	5.5
163.11194	3.7
163.14793	4.2
165.12752	2.4
169.10051	2.2
171.10233	1.1
171.11636	2.4
173.09595	1.3
173.13223	7.1
175.11197	8.3
175.14748	3.5
177.12798	1.6
177.16341	1.3
184.07393	1.3
185.13234	3.0
187.14845	4.4
187.43233	0.9
189.11198	3.8
189.12695	1.4
191.14262	1.2
193.12231	23.9
197.13153	1.5
199.14825	2.0
201.16336	2.3
207.13741	1.5
211.13263	2.4
219.17310	1.2
227.12717	9.8
229.14256	1.4
233.22675	1.2
235.13202	2.1
238.78856	1.0
243.21072	6.1
247.16922	1.4
249.14842	1.2
253.19669	1.2
259.13159	2.8
261.22119	18.4
267.15881	100.0
268.16287	1.8
273.14911	2.0
279.23111	2.1
285.16895	2.4
285.21973	1.6
289.14487	1.0
301.14264	2.2
301.25217	8.5
303.23465	1.0
309.16901	4.1
317.24878	4.7
319.15195	1.5
322.59006	1.1
333.16949	1.7
333.24146	1.4
335.25763	97.3
336.26166	2.1
345.24445	1.1
351.17728	1.2
375.18140	1.4
393.18890	1.3
403.24997	1.4
407.24069	1.2
417.26224	2.1
421.25610	3.4
435.27298	2.0
435.32446	6.2
449.28571	1.7
453.33484	8.8
471.34653	6.8
509.35950	3.2
527.37250	74.7
528.37469	3.2
545.38306	74.9
546.38519	3.0
562.38452	1.2
563.39087	6.8
569.38318	10.1
587.38977	1.6
611.39252	1.8
623.39050	2.5
635.39673	4.9
635.48523	1.0
653.40039	3.0
671.41016	3.2
798.13531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.3
67.05502	35.4
69.03413	2.3
69.06706	1.0
69.07061	12.7
69.98698	3.8
71.04990	1.6
71.08627	19.2
73.02900	3.3
79.05047	1.2
79.05484	18.7
81.07050	41.7
83.08620	9.7
85.02897	15.6
85.06528	1.9
85.10178	11.1
89.06014	0.8
90.44672	0.7
91.03951	11.6
91.05473	10.8
93.02409	0.7
93.07036	21.5
95.04960	1.6
95.08598	37.0
97.02882	8.6
97.06544	1.2
97.10181	3.6
99.04445	0.7
99.08030	0.8
99.11725	0.7
103.07574	1.1
105.07017	8.1
106.03095	0.7
107.08582	16.9
107.72211	0.7
109.02912	0.7
109.10148	18.2
111.08073	1.2
111.11714	1.0
115.03915	0.9
117.06995	3.6
119.08565	5.7
121.10138	12.2
123.10908	1.0
123.11706	7.4
123.54099	0.8
127.03918	5.4
131.08546	5.7
133.10098	6.8
135.11684	9.9
137.09595	1.2
137.13229	2.4
142.37242	0.7
145.04936	6.3
145.10081	4.5
147.11674	4.1
149.13263	7.4
151.14787	1.0
159.11655	5.7
161.13264	5.1
163.05983	6.5
163.14778	4.5
165.16374	0.7
165.26233	0.6
171.11806	0.8
173.13222	4.9
175.14764	1.5
177.16359	1.3
187.14839	2.3
201.16306	1.1
233.22597	2.4
239.23677	3.6
241.92380	0.8
243.21056	10.5
257.24683	1.7
261.19333	1.7
261.22119	35.6
279.23248	0.7
313.27341	100.0
314.27661	2.3
317.24716	7.7
335.25778	83.2
336.26187	1.3
443.75662	0.7
499.44559	1.3
573.48700	40.9
574.48822	1.4
591.49866	8.4
917.46075	0.7
938.17230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.6
67.05154	3.1
67.05499	42.5
69.03425	13.1
69.06705	2.0
69.07062	27.1
69.58171	11.5
71.04972	3.2
79.05038	2.7
79.05486	46.3
81.03410	58.1
81.07047	47.5
83.04975	15.8
83.08614	27.4
85.02898	28.5
85.06531	3.1
91.03952	4.3
91.05472	48.0
93.07034	37.8
95.04958	27.0
95.08597	20.0
97.02881	13.3
97.06519	9.4
97.10150	14.6
99.04422	2.4
105.06390	1.4
105.07021	37.9
107.04944	13.1
107.08585	24.6
109.06493	10.5
109.10149	18.1
111.04437	2.9
111.08075	8.8
113.05988	2.5
115.05441	2.5
117.06998	11.7
119.04928	2.4
119.08567	28.9
120.95985	1.4
121.06525	4.3
121.10121	17.2
123.08045	6.4
123.11689	4.0
125.09586	8.7
126.20582	1.6
127.03879	1.5
127.07479	1.5
128.06200	3.0
129.07004	13.6
131.08556	16.5
133.06494	7.3
133.10120	31.2
135.08040	5.4
135.11665	3.6
137.06096	1.6
137.09586	3.4
142.07765	3.6
143.08554	3.8
145.06503	2.6
145.10123	12.8
147.08051	8.8
147.11673	14.3
149.09654	8.3
149.13275	2.8
151.11195	7.6
157.10129	12.7
159.08073	2.5
159.11681	4.6
161.09644	4.0
161.13243	1.6
163.05965	1.5
163.11195	6.0
165.09157	2.2
165.12709	2.3
169.10083	2.3
171.11646	3.3
175.11113	14.3
185.13129	2.9
187.11169	2.2
189.11180	4.3
193.12234	37.0
195.13754	1.8
199.11252	1.9
211.13263	45.0
216.42253	1.4
223.13257	15.7
227.12744	5.5
227.17809	1.6
245.19037	3.1
249.14922	3.5
253.14313	18.9
263.20038	2.3
267.13315	1.1
267.15891	34.0
273.18427	20.9
275.20261	2.7
283.15384	7.2
285.14117	0.8
285.16943	41.2
291.19525	100.0
292.19980	2.1
347.22150	8.2
349.23697	3.4
365.23196	47.2
366.23425	1.8
445.26065	2.3
463.26843	5.6
477.28406	10.0
539.33649	3.7
557.34698	61.4
558.35034	3.0
575.35736	83.2
576.35986	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	936.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	4.7
67.05494	87.1
69.03418	16.1
69.07057	37.5
71.01340	2.1
71.04987	12.1
73.02904	2.5
79.05479	74.1
80.76483	2.0
81.03406	87.8
81.07040	100.0
83.04964	26.8
83.08115	3.4
83.08601	37.1
85.02408	3.6
85.02894	40.2
85.06518	5.3
91.03940	6.0
91.05464	80.2
93.07027	77.4
95.04955	38.6
95.08588	37.3
97.02859	12.6
97.06514	21.5
97.10160	10.2
99.04414	2.1
99.08073	5.0
105.07011	59.8
107.04938	14.9
107.08572	39.7
109.02875	3.4
109.06503	13.1
109.10128	13.4
111.04424	5.0
111.08057	15.6
113.06010	2.8
113.09654	1.7
115.05421	2.0
117.06989	16.8
119.08556	46.9
121.06488	10.2
121.10114	25.6
123.08071	8.5
123.11684	4.7
125.09604	6.8
127.03881	3.2
129.06996	17.7
131.08545	31.0
133.06453	5.1
133.10104	35.7
135.08018	6.5
135.11670	17.0
137.09605	5.5
142.07773	4.3
143.08536	7.0
145.04922	3.0
145.10103	16.7
147.08047	6.2
147.11671	28.1
149.09578	22.9
149.13229	15.8
151.11186	3.5
155.08517	2.6
157.10100	21.3
159.08054	2.5
159.11673	19.0
161.09558	3.7
161.13214	4.8
163.05980	2.8
163.11214	11.7
165.12766	6.2
169.10167	3.4
171.11652	4.1
173.04404	5.1
173.13225	5.5
175.11174	19.8
177.12712	5.2
181.12206	3.5
183.11691	2.8
184.07350	4.5
189.11252	3.2
193.12216	46.6
195.12090	2.0
195.13777	6.8
207.13802	2.0
211.13235	54.2
227.12831	3.2
239.17899	3.7
247.20534	3.2
255.15852	18.0
257.18948	7.3
267.15878	36.5
269.17429	37.9
275.19986	35.9
285.16895	54.0
293.21204	2.7
334.45285	2.0
349.23685	31.7
367.24612	5.0
413.21857	2.7
439.26923	2.6
443.27875	3.6
447.27597	10.7
461.28906	42.3
465.28357	22.8
472.08069	1.9
479.29984	93.8
480.30383	2.8
501.31714	1.9
519.33148	2.9
541.35132	21.6
542.35480	1.9
559.36200	44.8
560.36578	3.8
577.37463	12.3
582.32513	2.4
605.33069	2.6
623.34106	8.2
703.40277	3.4
723.04309	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	936.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.8
67.05499	63.3
69.03428	11.4
69.07062	21.6
70.94187	4.4
70.94552	4.1
71.04981	8.4
73.02904	3.6
79.05049	3.7
79.05492	54.9
81.03408	68.2
81.03893	3.4
81.07051	76.0
83.04976	21.3
83.08610	31.6
85.02895	31.3
85.06546	5.7
91.03957	5.4
91.05472	56.2
92.05872	1.8
93.07034	54.6
94.24778	1.9
95.04955	28.6
95.08038	2.5
95.08603	30.0
97.02867	12.2
97.06526	14.4
97.10172	7.6
99.08089	2.7
105.07017	40.1
105.07662	3.3
107.04935	15.0
107.08586	31.5
109.02885	3.2
109.06517	10.3
109.10155	8.9
111.04430	2.8
111.08071	11.0
113.05979	2.6
115.05472	3.2
117.06989	12.6
119.08566	30.1
121.06480	5.5
121.10135	18.6
123.08053	5.8
123.11680	3.5
125.09611	4.1
127.03900	5.1
129.07004	12.5
131.08551	27.6
133.06493	4.5
133.10114	30.2
135.08069	3.7
135.11688	13.0
137.09618	3.5
141.06966	2.5
142.07741	3.3
143.08546	4.2
145.04945	2.3
145.10092	10.5
147.08020	4.2
147.11661	22.3
149.09599	14.5
149.13260	10.2
151.11229	3.6
157.10077	16.7
159.11638	10.0
163.11169	5.9
163.48930	1.9
165.12785	5.4
169.10097	2.7
171.11736	2.9
173.04286	2.0
173.13155	2.4
175.11195	11.8
177.12648	3.2
181.12335	2.0
183.11702	3.5
184.07301	2.0
189.11224	3.4
192.34398	2.0
193.12231	34.8
195.13795	5.2
211.13274	49.1
227.12772	6.0
247.20445	2.6
255.15858	11.4
257.18979	6.8
267.15897	32.5
269.17465	41.8
275.19995	23.3
285.16931	42.5
289.18909	2.0
294.36566	2.0
349.23721	21.5
408.75858	1.9
439.26672	2.3
443.27628	5.9
447.27264	7.7
461.28949	45.7
465.28448	21.2
479.29947	100.0
480.29926	3.8
483.05801	2.2
523.34277	2.7
541.35205	16.2
559.28448	2.6
559.36279	29.1
577.37225	10.4
623.34613	4.8
655.35413	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	936.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.9
67.05495	69.6
67.43459	1.2
69.03413	3.5
69.06705	1.7
69.07059	18.7
71.04973	4.6
71.08610	1.0
71.13020	2.1
71.57104	0.9
73.02898	3.1
79.05480	52.4
81.03405	96.2
81.07043	72.8
83.04955	6.7
83.08126	2.2
83.08604	28.1
84.08901	1.0
85.02900	11.8
85.06520	2.9
89.77784	1.1
91.03945	6.9
91.04883	1.8
91.05466	41.2
93.07030	59.1
95.01315	1.4
95.04355	1.6
95.04955	31.8
95.08592	54.7
96.08962	1.0
97.02869	5.1
97.06522	4.8
97.10159	8.3
99.04463	1.0
99.08064	1.6
101.27737	1.1
105.07015	32.5
107.04929	9.0
107.08578	33.8
109.02893	1.6
109.06504	5.7
109.10135	26.6
111.04440	2.4
111.08057	8.9
115.03929	0.9
115.05434	1.9
117.07004	9.6
119.04903	1.0
119.08565	27.8
121.06473	4.4
121.10123	27.7
121.10996	1.6
121.38923	0.9
123.04408	3.2
123.08071	3.9
123.11686	8.8
125.09641	5.8
127.03896	3.3
128.06180	1.7
129.06985	12.7
131.08548	25.2
133.06474	5.4
133.10101	19.4
135.08028	2.9
135.11659	16.1
135.76964	1.0
136.92911	1.2
137.09583	2.8
137.13200	2.5
141.06918	1.4
142.07744	3.7
143.08522	4.0
145.04941	2.4
145.10088	12.0
147.04462	1.6
147.08037	5.0
147.11647	17.7
149.09547	6.9
149.13240	11.3
151.11230	1.2
151.14803	1.2
155.08548	2.6
157.10095	13.9
159.11667	11.5
161.09557	1.5
161.13213	6.2
163.05981	5.5
163.11154	4.4
163.14798	3.7
165.12730	2.6
169.10086	1.3
171.11690	4.6
173.09589	1.5
173.13196	8.7
175.11162	12.0
175.14775	3.7
177.16354	2.0
181.10152	1.1
183.11685	1.4
185.13242	2.8
187.14807	3.5
189.11227	3.5
193.12216	21.2
199.14778	1.3
201.16347	2.5
205.12157	1.4
207.13733	1.4
211.13258	2.4
213.16411	1.1
219.13821	1.0
227.12703	8.3
235.13252	5.0
243.21057	5.7
247.16901	1.6
249.14845	3.0
259.13281	2.4
259.20660	1.2
261.22119	24.3
267.15869	98.7
268.16354	1.9
273.14761	1.4
279.23178	1.1
285.22037	1.5
299.23868	1.5
301.14252	2.7
301.25159	6.7
307.22964	1.2
309.16888	5.2
317.24844	3.4
333.16971	2.2
335.25739	100.0
336.26129	4.5
403.24683	1.7
435.27170	2.9
435.32599	5.5
452.08963	1.1
453.33548	9.9
471.34589	4.4
475.30847	1.6
509.36371	2.0
527.37231	74.4
528.37579	4.7
545.38287	70.0
545.45239	1.2
546.38660	3.6
559.40143	2.2
569.38330	9.6
587.39233	1.7
623.39386	2.6
635.39185	4.5
653.40100	1.7
671.40961	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	938.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.6
67.05498	85.2
67.05862	4.3
69.03419	6.8
69.07058	19.8
71.04979	7.9
71.54113	2.1
71.54583	3.5
73.02905	7.1
79.05482	72.5
79.17611	2.0
80.97018	1.7
81.03401	10.6
81.07047	87.5
83.04978	12.5
83.08607	14.4
85.02884	21.4
85.06539	5.9
91.03945	13.1
91.05469	52.0
93.07028	80.0
95.04957	17.7
95.08595	61.4
97.02873	14.8
97.06507	11.1
97.10161	11.1
99.04487	2.7
99.08109	2.5
100.02768	2.0
105.07024	30.8
107.04944	7.3
107.08578	43.2
109.02904	2.8
109.06509	5.9
109.10133	38.6
111.04423	15.8
111.08090	3.5
115.05443	2.3
117.06990	16.4
117.61726	2.2
119.08572	32.4
121.06491	4.8
121.10126	47.6
121.11006	2.6
123.08060	7.1
123.11683	8.6
125.05988	2.3
125.09629	8.9
127.03931	4.7
129.07013	10.7
131.08559	27.4
133.06546	2.3
133.10123	25.7
135.08072	6.1
135.11671	21.9
137.09579	5.3
139.11169	8.6
143.08508	10.2
145.04965	5.6
145.06421	2.8
145.10103	34.9
147.08002	5.2
147.11676	14.8
149.09587	11.6
149.13222	8.9
150.82101	1.7
151.11180	2.9
155.08566	7.5
157.10094	8.7
159.07933	2.3
159.11639	19.0
161.09549	3.1
161.13248	9.8
163.06027	8.7
163.11182	11.8
163.14899	4.5
167.10765	2.8
169.10114	3.3
171.11714	6.6
173.09613	6.3
173.11702	5.8
173.13249	14.0
175.11162	2.4
175.14781	2.2
177.12596	2.6
181.10201	2.5
181.12224	5.7
183.11688	3.1
185.11801	2.1
185.13249	4.6
187.14828	5.6
189.11246	4.1
191.10623	9.3
195.11775	2.1
199.14848	4.4
203.12830	2.6
209.11684	43.5
210.12151	2.4
213.14798	2.6
227.12738	20.7
227.59781	1.8
229.14236	10.2
241.14314	7.2
241.19601	3.7
243.15878	2.2
243.21075	4.5
259.15335	2.8
259.20624	5.3
261.22064	15.0
265.14365	4.3
273.22037	6.6
277.21585	3.1
282.45032	1.9
283.15335	20.4
283.20569	2.5
285.22003	5.3
289.21689	3.3
291.23254	2.9
297.22189	4.3
299.23618	2.7
301.16400	38.0
301.21741	7.6
303.17975	2.8
303.23141	9.8
315.23172	10.4
317.24573	2.9
319.22589	2.8
333.24240	5.0
335.25778	70.0
345.23923	2.1
375.25052	2.3
377.26825	3.1
389.26819	2.8
433.25400	2.4
433.31122	6.6
451.32162	10.5
469.32999	11.4
472.44327	2.0
487.34229	9.6
501.35663	10.5
515.37311	3.1
525.35565	16.5
543.36761	74.4
544.36810	3.0
561.37811	100.0
562.38068	5.9
579.39063	13.6
864.04102	2.2
946.72064	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	954.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	53.9
69.03419	2.1
69.07059	12.6
71.04976	1.8
71.08605	0.9
71.27682	0.9
72.81085	0.4
73.02904	3.6
79.05482	34.2
80.66766	0.4
81.03425	1.1
81.07044	56.6
82.07346	0.6
83.04971	1.4
83.08601	7.8
85.02895	15.9
85.06532	1.5
87.04482	0.5
89.00832	0.4
91.03941	11.7
91.05466	20.9
93.07030	42.9
94.07372	0.5
95.04958	3.5
95.08591	45.1
96.04465	0.7
96.08929	0.4
97.02876	7.9
97.06510	2.5
97.10145	3.6
99.04436	0.8
99.08080	1.5
101.02352	0.6
103.03915	0.6
103.05493	0.5
105.04491	0.6
105.07013	18.0
107.04946	0.5
107.08577	24.0
109.02854	0.7
109.06508	1.8
109.10136	22.0
111.08079	1.3
111.11707	0.8
113.09658	0.7
115.03909	0.8
115.05473	0.5
115.26791	0.5
117.06994	6.6
119.08564	16.7
121.10123	21.9
123.08064	1.1
123.11685	8.4
125.09619	1.2
127.03899	4.6
129.07024	1.4
130.07727	0.6
131.08548	12.5
133.09093	0.7
133.10109	14.8
135.08038	1.1
135.11676	16.4
137.09624	1.3
137.13251	3.3
139.11177	0.6
143.08543	1.7
145.04938	6.4
145.10098	10.6
147.11667	10.4
149.09654	0.8
149.13242	9.3
151.11176	0.5
151.14864	1.0
153.12750	0.6
157.10110	2.6
159.11662	9.6
161.13245	8.5
163.05986	6.1
163.11195	0.8
163.14816	4.6
165.12692	0.5
165.16400	0.5
169.10118	0.8
171.11674	2.5
173.13243	9.0
175.14799	4.7
177.12814	0.9
177.16393	1.7
179.14270	0.5
183.11623	1.0
185.13263	2.7
187.14778	4.3
189.16396	1.7
191.14281	0.6
197.10268	0.4
199.14824	2.3
201.16328	2.2
203.17883	0.9
213.16537	0.9
215.17958	1.1
217.19548	0.7
231.20937	0.9
233.22740	1.0
233.64189	0.4
241.19588	3.5
243.21066	5.7
245.22630	0.8
247.20699	0.6
257.18945	1.0
259.20541	9.3
261.22110	20.0
263.23639	2.1
267.19418	0.5
273.22058	0.8
275.20139	0.6
275.23407	0.6
279.23236	0.6
285.22040	0.7
287.23611	1.1
289.21750	0.4
299.23685	0.8
301.25174	0.5
307.22440	0.5
313.25070	0.5
315.23230	1.1
317.24704	4.3
323.25821	0.5
333.24185	8.3
335.25745	100.0
336.26151	2.5
337.27319	13.5
341.28424	0.5
351.25104	0.5
353.27026	0.7
355.29947	0.8
437.34473	0.4
451.35550	0.6
489.35931	0.7
503.36658	0.9
517.38007	0.5
521.43640	3.1
529.38672	0.9
539.44403	1.3
543.40234	1.0
557.45410	0.4
595.47125	16.4
596.46808	0.8
613.48157	22.6
614.47632	0.7
620.49097	0.4
761.53986	0.5
837.88818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.4
69.03432	1.2
69.07068	0.9
71.57430	0.7
71.57858	0.9
73.02945	0.6
79.05479	5.2
80.04993	0.6
80.13900	0.6
81.03409	11.3
81.07050	4.3
82.14133	0.7
83.08616	1.9
84.04487	1.7
85.01122	0.6
85.02895	2.9
85.04009	1.3
91.05486	4.6
93.07044	3.9
95.04977	2.5
95.08603	3.0
96.04469	0.6
97.01115	1.0
97.02884	1.9
97.10149	1.1
99.05600	1.3
105.07045	2.3
105.34606	0.6
106.06541	0.7
107.04920	3.2
107.08584	1.8
109.10117	0.8
110.06042	1.0
111.02637	0.9
113.00603	2.4
117.07043	1.1
118.06520	1.9
119.08588	2.0
121.10126	1.7
125.09599	1.0
129.06992	1.2
130.05009	0.9
131.08586	1.5
133.05249	1.0
133.10132	1.4
134.06004	1.8
135.11641	0.8
137.04219	0.7
142.03259	1.0
142.07765	0.9
143.08537	0.8
144.08089	1.1
145.06018	0.6
145.10126	1.2
146.05995	22.4
147.06796	2.2
147.11626	0.8
148.07506	0.8
149.09621	0.8
150.03716	0.9
157.10068	0.9
158.09616	0.9
160.07611	1.4
162.03793	0.7
163.11221	1.4
164.07115	2.4
166.03246	2.1
172.07559	1.5
173.08200	0.7
173.09563	0.8
175.11269	0.7
176.05315	0.7
177.03424	1.0
178.03201	6.0
179.03928	0.7
180.04916	1.4
180.06473	1.3
184.07507	1.0
186.09154	1.3
188.10832	1.0
190.03314	0.6
192.04898	1.5
192.06525	14.8
193.07037	1.1
193.12254	1.4
196.04266	7.3
200.10660	0.8
201.91423	0.7
202.03294	1.5
206.08168	1.9
212.03802	1.9
216.04782	1.6
216.13928	1.1
218.06291	0.8
218.08171	1.2
223.07802	1.3
224.03731	30.9
225.04219	0.8
228.13893	1.2
229.14659	1.8
230.02846	1.3
230.08205	1.1
230.15411	1.8
232.07729	0.8
232.09727	2.2
232.11714	0.8
236.03749	2.0
238.05417	1.8
245.05856	0.8
248.03679	4.8
250.05309	2.4
257.14145	1.1
258.14954	6.3
260.11090	2.4
261.04489	0.8
262.05298	3.3
262.12457	3.0
264.06897	1.8
267.15945	5.2
272.12875	1.8
273.13702	0.9
274.14410	1.9
275.15112	20.8
275.17847	1.3
276.03220	1.0
276.10803	1.0
276.15933	18.1
278.08481	2.0
278.49347	0.7
286.12625	1.7
288.15936	1.1
290.12079	9.6
304.15439	7.7
306.11566	19.7
308.13107	37.4
314.12122	2.2
318.11652	1.7
322.16580	2.0
328.13663	1.6
331.14706	0.9
332.13031	3.7
336.12592	39.1
337.12994	1.2
342.11591	1.8
344.13254	0.8
346.14502	3.1
352.12103	20.6
352.16342	1.1
354.13559	4.7
356.13016	1.1
359.14291	4.1
360.05539	0.8
360.12589	8.9
362.14227	0.9
372.12552	1.2
374.14145	10.9
377.15155	3.3
378.14072	1.3
378.19153	3.2
388.11972	3.4
390.13742	2.4
392.15262	5.6
396.20007	1.2
405.14569	1.9
408.14804	2.0
410.16171	6.1
426.16202	1.0
428.17288	5.9
434.16586	0.9
446.94736	0.8
451.18765	1.0
452.17233	1.5
462.16806	2.3
480.17804	2.3
480.23502	0.9
498.22824	5.0
508.21310	1.2
510.23251	0.7
516.24164	1.0
526.22400	8.5
536.20874	1.4
544.23883	1.9
554.21588	1.1
555.20123	1.8
572.22357	1.1
600.26324	7.0
602.27765	6.2
616.26147	0.7
618.27332	16.0
619.27661	0.8
620.28992	7.8
626.27081	0.9
643.30725	1.8
644.28564	4.5
654.27246	1.1
661.31244	2.1
671.29810	1.6
672.28418	4.5
689.31006	6.1
690.31079	0.9
721.34027	1.2
728.31879	1.7
729.30365	3.2
746.33044	37.5
747.31610	13.4
748.32251	1.2
764.34125	100.0
765.34467	6.9
778.35760	4.9
796.37030	3.5
806.34924	5.3
842.35150	1.1
854.34686	1.0
908.38324	7.1
926.39362	24.3
927.39325	2.4
940.40875	1.2
958.41394	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	961.5806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05190	2.2
67.05508	15.9
69.03426	2.1
69.07061	4.7
69.54578	10.8
69.56060	1.3
79.05483	12.3
81.07051	21.6
83.04961	9.9
91.05474	17.9
93.07042	23.2
95.04970	5.3
95.08598	54.0
97.06514	3.7
98.20732	3.2
99.04514	2.0
105.07023	23.2
107.08591	28.3
109.06532	3.5
109.10153	13.7
111.04421	8.2
111.08063	8.6
113.06002	1.7
115.05453	2.7
115.92532	1.8
116.78955	1.5
117.06982	8.0
119.08566	23.0
121.06542	3.7
121.10139	15.4
123.08053	9.0
123.11703	4.1
128.06195	5.7
129.07013	8.2
130.07851	1.9
131.08556	18.2
133.06522	3.3
133.10126	27.3
135.08051	4.9
135.11665	11.5
137.09615	2.3
139.07526	5.8
141.06973	3.9
141.09113	2.4
142.07756	10.5
143.08553	27.8
144.09203	1.6
145.06473	3.6
145.10106	24.5
147.08017	4.7
147.11667	11.4
149.09564	3.5
149.13185	3.7
153.07010	6.3
155.08534	14.3
156.09311	8.7
157.06509	5.7
157.10112	31.2
159.08044	3.5
159.11664	23.2
160.12231	1.8
161.09608	8.2
161.13252	5.2
163.11137	3.9
165.06976	5.6
166.07724	1.9
167.08562	10.7
168.09303	5.0
169.06483	3.0
169.10095	15.3
170.10921	3.5
171.08031	6.1
171.11652	19.8
173.09602	3.6
173.13260	12.9
174.14003	1.9
175.07529	3.2
175.11171	3.3
175.14830	2.4
179.08569	8.7
179.10672	2.3
180.09338	3.1
181.06487	1.7
181.10083	12.9
182.10846	5.3
183.08038	11.2
183.11671	17.2
185.09676	8.0
185.13225	10.2
187.11194	5.3
187.14844	4.5
189.12807	3.9
191.08476	2.5
192.09425	4.6
193.10123	9.4
194.10840	3.7
195.07916	2.3
195.11732	14.2
196.08899	1.9
196.12422	2.4
196.66362	1.6
197.09586	6.8
197.13242	25.4
199.11206	11.0
199.14821	6.7
201.09117	4.5
201.12691	4.5
201.16286	2.5
203.10625	4.4
205.10101	3.6
206.10861	4.7
207.08052	2.9
207.11702	15.2
208.12434	4.7
209.09627	5.5
209.13220	12.7
211.11145	7.8
211.14740	8.7
213.12726	10.7
215.10645	5.2
215.14307	2.3
216.09430	1.8
217.10254	2.6
217.12218	11.3
218.10875	2.3
219.11665	6.4
220.12511	3.4
221.09662	4.3
221.13254	13.3
222.13925	2.9
223.11316	3.7
223.14767	13.3
225.09065	2.5
225.12706	9.6
225.16296	3.3
227.14241	5.6
229.12253	5.6
229.15942	2.5
230.10948	1.9
231.11662	3.1
231.13809	5.2
233.09583	2.8
233.13194	4.7
233.15285	3.6
234.10349	2.3
235.11157	4.3
235.14809	10.3
236.15544	3.1
237.12714	4.5
237.16333	7.9
239.14314	2.6
239.17862	3.7
240.18715	1.8
241.12225	2.8
243.13799	7.9
245.13206	3.0
245.15544	2.4
247.11215	4.1
247.14772	6.3
247.16919	3.6
249.12781	5.9
249.16356	6.6
250.17044	2.0
251.14330	2.9
251.17979	2.5
253.12247	2.0
253.15910	2.2
255.17426	2.0
257.15582	3.0
259.11035	1.8
259.14743	2.2
261.12723	3.0
261.16364	5.0
262.17413	2.0
263.14340	9.9
263.17923	5.5
264.15091	1.9
265.16010	3.4
265.19537	2.3
267.13818	7.3
269.15424	2.8
271.14386	1.8
273.18622	11.1
275.14246	5.7
275.17972	2.2
277.16061	3.8
277.19498	14.9
279.13721	1.8
279.17621	2.5
279.21039	3.2
281.15393	6.8
283.17078	3.1
287.17896	5.1
289.19315	2.2
295.16873	3.5
303.17450	4.4
303.21045	2.9
305.18948	22.4
307.16968	2.9
307.20599	3.1
309.18271	2.3
321.18488	4.6
323.20041	16.4
325.21579	2.3
331.20575	6.1
335.19946	2.2
337.17749	1.7
345.21960	2.5
349.21573	2.6
357.21875	3.2
363.23215	2.5
364.23895	1.9
371.20325	2.2
379.26221	15.3
385.21533	2.3
399.26788	4.1
403.26196	5.4
409.25024	2.6
417.27811	40.8
419.29453	4.8
427.26340	21.6
445.27356	78.6
446.27863	4.2
463.28400	100.0
464.28702	4.9
929.24292	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	962.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04787	2.4
67.05182	3.9
67.05498	16.9
69.03409	4.0
69.07064	14.8
71.08622	12.1
79.05472	12.4
81.03389	3.8
81.07050	15.5
83.04958	2.5
83.08613	8.4
85.02879	2.3
85.10179	7.2
88.20944	1.1
91.03951	1.9
91.05453	7.5
93.07025	10.4
93.80431	1.1
95.04942	4.8
95.08586	12.6
97.02876	7.6
97.06496	2.6
97.10148	8.7
105.07037	6.7
107.04907	3.2
107.08582	5.0
109.10150	10.2
111.08049	1.6
117.07000	4.1
119.04878	1.3
119.08559	7.3
121.10112	3.4
123.07934	1.3
123.11695	1.5
125.09605	7.8
131.08527	3.2
133.10098	3.3
135.08000	1.8
135.11613	1.7
143.08498	1.5
145.10095	3.4
147.08011	3.8
153.09108	1.4
157.10126	1.9
163.05949	1.6
163.11148	1.7
175.11197	1.6
189.11183	3.9
197.58331	1.3
216.18988	1.2
223.13200	13.3
227.12740	5.0
262.73608	1.4
267.15652	2.3
273.18451	10.4
291.19498	79.0
292.19983	1.7
313.27310	72.5
314.27789	1.8
347.22314	2.4
365.23181	62.1
523.39752	5.5
585.44586	1.9
603.46130	100.0
604.46283	7.6
621.46008	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	963.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	10.9
69.03410	0.6
69.07048	2.0
70.79833	1.6
71.04975	1.1
79.05482	7.2
81.07047	14.2
83.04976	11.4
83.05459	1.1
83.08618	1.3
91.05465	11.4
92.05807	0.7
93.07033	20.9
95.04936	4.6
95.08593	49.6
96.08942	2.3
97.06507	2.5
97.10144	0.9
99.04436	1.8
103.05447	0.7
105.07020	17.0
107.04971	1.0
107.08585	18.2
108.08929	0.8
109.06493	3.5
109.10130	8.6
111.04429	8.0
111.08067	7.5
113.05992	1.6
115.05442	2.2
117.07005	4.8
119.08569	17.2
121.06486	3.7
121.10131	13.6
123.08052	4.7
123.11691	5.1
125.06075	0.7
125.09618	1.1
128.06195	3.9
129.06989	5.9
130.07768	1.2
131.08553	14.4
133.06451	1.9
133.10112	18.3
134.10884	2.1
135.08051	3.8
135.11687	8.3
137.05946	1.3
137.09573	1.2
137.13275	0.8
139.07533	4.5
139.11136	0.5
140.98024	0.5
141.06102	0.5
141.06952	3.2
141.09140	1.4
142.07774	6.5
143.08549	15.7
144.09236	2.1
145.06441	3.4
145.10101	17.8
146.07211	0.8
146.10458	0.7
147.08047	4.2
147.11676	10.3
149.09644	2.3
149.13237	2.0
153.06999	1.4
154.07768	0.9
155.07378	0.8
155.08546	9.1
156.09348	5.7
157.06496	2.8
157.10107	19.7
158.07202	1.1
158.10724	1.7
159.04390	1.3
159.08032	7.7
159.11673	19.9
160.12233	1.3
161.05937	0.6
161.09613	6.3
161.13243	5.4
163.11198	1.4
163.14717	0.6
165.07019	1.9
165.09116	0.6
166.07788	0.6
167.08553	4.1
168.09296	2.4
169.06438	0.8
169.10107	10.5
170.07297	0.6
170.10904	5.2
171.08035	14.6
171.11658	15.9
172.08789	2.6
172.12314	1.2
173.06009	2.2
173.09612	8.0
173.13254	9.1
175.07538	0.9
175.11224	3.1
175.14774	2.5
177.09108	1.0
179.08563	2.6
179.10558	0.8
180.09209	1.1
181.06403	0.7
181.10051	5.0
182.07202	0.8
182.10890	3.7
183.08034	5.2
183.11668	19.9
184.08690	1.0
184.12209	1.9
185.09625	6.5
185.13248	21.6
186.10324	3.5
186.13637	0.8
187.07538	1.6
187.11166	7.8
187.14801	10.6
188.15213	0.8
189.09068	1.6
189.12683	2.7
189.16408	1.0
191.10646	1.1
192.09346	0.9
193.10143	2.8
194.10870	1.2
195.08003	0.9
195.11684	6.9
196.08789	1.4
196.12375	1.4
197.09593	4.9
197.13258	13.9
198.10390	2.4
198.13680	1.2
199.11157	4.3
199.14828	5.9
200.11855	0.9
201.09135	1.8
201.12729	6.6
201.16388	2.4
203.08876	0.6
203.10555	2.5
203.14368	2.4
205.10095	0.9
206.10910	1.3
207.11703	2.5
208.12450	1.5
209.09621	1.3
209.13254	5.7
210.13734	0.9
211.11154	9.7
211.14729	4.7
212.11598	1.2
213.09418	0.9
213.12724	19.9
213.16313	1.6
214.13037	0.9
215.10722	4.1
215.14272	8.5
217.10258	0.8
217.12251	2.8
217.15878	0.9
219.11676	1.7
219.13876	2.2
220.12383	0.7
221.09596	0.6
221.13243	3.1
221.15369	1.3
222.13707	1.0
223.11159	1.6
223.14772	5.8
224.15469	0.8
225.12732	4.4
225.16354	1.9
226.13153	0.6
227.10631	0.7
227.14284	6.5
227.17909	0.6
229.12192	6.2
229.15746	3.6
231.11749	0.7
231.13783	12.6
232.14195	1.0
233.13200	1.8
233.15375	4.2
235.11258	0.8
235.14911	3.2
235.16916	1.1
236.11726	0.6
237.12766	2.0
237.16394	2.7
238.17026	0.6
239.14279	1.6
239.17986	1.4
241.12222	3.3
241.15993	1.1
241.19432	0.7
243.13770	4.6
245.15382	4.2
247.14783	1.9
247.16985	1.7
249.12782	1.4
249.16341	2.0
250.16772	0.7
251.14313	2.0
251.17926	1.4
253.12250	0.8
253.15817	0.9
255.13797	1.8
255.17345	0.8
257.15298	1.2
259.14725	0.7
259.17020	1.3
261.12805	0.9
261.16318	1.3
262.17090	0.7
263.14301	1.8
263.17978	1.8
265.15891	2.7
265.19312	1.3
267.13876	1.2
267.17398	0.9
269.15323	1.6
277.16205	1.0
277.19482	3.6
278.20001	0.6
279.21082	3.1
281.15363	1.6
281.18939	0.6
283.16928	1.3
285.18372	0.6
289.19406	2.1
291.14133	0.6
291.20966	0.6
293.18765	1.0
299.20322	0.6
303.17316	1.1
303.21075	0.6
305.19183	2.6
305.22360	0.8
307.20615	5.8
307.23938	0.8
309.18616	0.7
311.20245	0.7
321.18628	0.8
323.19968	3.7
324.20126	0.9
325.21741	4.1
333.22110	2.1
337.21490	0.7
349.21518	1.3
351.23193	1.5
359.23697	0.9
365.24631	0.9
373.25235	0.7
381.27844	1.1
387.23062	2.7
399.26682	1.0
401.28473	1.5
403.25995	0.6
405.23941	2.6
407.21902	0.7
411.26602	2.1
417.27869	11.9
418.28195	1.2
419.24130	0.8
419.29431	11.7
420.29944	0.8
427.26382	2.3
429.27802	10.0
430.28323	0.7
435.29007	0.9
445.27325	19.2
446.27643	2.1
447.28867	29.6
448.29233	1.4
463.28369	100.0
464.28696	15.4
465.29712	18.3
466.30304	0.8
481.29242	3.2
483.30994	0.9
499.48181	0.6
874.72559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	50.5
69.03426	8.4
69.07057	22.8
69.35490	12.0
71.04981	3.9
71.08626	25.5
73.02910	2.8
79.05482	32.5
81.03410	11.8
81.07043	66.5
83.04974	7.3
83.08597	18.9
85.02897	11.6
85.06525	4.1
85.10168	17.6
89.06034	1.5
91.03941	5.2
91.05468	29.5
93.07029	39.0
94.07368	1.5
95.04980	7.2
95.08591	45.4
97.02872	9.1
97.06512	12.0
97.10151	7.7
99.08070	1.6
99.11732	1.5
103.07588	1.9
105.07016	20.8
107.04922	6.2
107.08582	21.3
109.02840	2.8
109.06495	4.5
109.10145	18.5
111.08072	3.9
111.11686	2.4
117.07005	13.3
119.08571	13.8
121.06472	2.8
121.10114	10.7
123.08030	3.2
123.11688	4.7
125.09625	2.2
127.03893	3.9
129.05478	2.5
129.07024	4.0
131.08548	13.4
133.10104	16.8
135.08037	3.6
135.11661	11.2
137.09642	1.5
143.08519	3.4
145.04936	2.3
145.10110	9.2
147.11681	5.4
149.09599	8.2
149.13226	12.1
151.11203	2.3
151.14975	1.5
157.10098	2.2
159.11665	8.7
161.13281	2.1
163.06007	1.6
163.11160	5.7
169.10216	1.9
173.04411	3.6
173.13237	3.1
175.11066	1.5
177.12762	2.9
179.14243	1.4
181.12141	1.3
195.13770	5.1
202.19789	1.5
227.12677	3.1
239.23688	3.4
244.03040	1.5
251.16429	1.3
255.15880	13.2
257.18997	5.2
257.24872	1.9
267.15817	2.0
269.17435	40.0
270.17691	1.6
275.17230	2.5
275.20032	21.4
293.21088	2.7
309.20517	1.6
313.27307	85.7
314.27707	2.8
349.23691	21.9
367.24777	3.8
413.21698	3.3
467.37106	1.5
493.38940	19.3
507.40372	100.0
508.40811	7.0
547.43384	3.2
587.46533	30.0
588.46936	1.7
605.47736	12.5
651.45056	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	966.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.6
69.35765	1.1
71.04991	0.2
73.55720	0.1
79.05476	1.1
81.03410	1.9
85.02901	0.9
91.05468	6.8
95.04962	0.2
97.02882	0.4
99.04440	0.3
103.05443	0.4
105.03370	0.6
105.07039	0.1
107.04945	2.7
109.02863	0.9
119.04931	17.2
120.05242	0.2
121.10162	0.1
127.03912	0.8
131.04907	1.2
135.04404	0.1
143.04948	0.2
147.04393	100.0
148.04729	1.3
149.05952	0.4
153.11017	0.1
161.05867	0.1
163.03944	0.1
165.05457	2.7
171.04370	0.6
189.05486	0.5
199.03879	0.2
207.06361	0.3
207.08083	0.3
213.05423	0.3
228.58057	0.1
231.08046	0.3
234.06792	0.1
235.05357	0.2
235.07518	2.1
249.07608	0.4
255.06560	0.7
259.07437	0.4
273.07431	1.1
277.08585	3.3
291.08606	3.1
295.09619	1.2
298.36755	0.1
301.08679	0.2
309.09665	11.0
385.10339	0.3
403.11682	0.2
419.11279	0.2
437.12097	0.4
439.13602	0.4
455.13309	2.5
457.14731	0.7
473.14297	0.4
575.37799	0.1
581.16492	0.6
599.17755	0.2
603.18353	0.1
617.18768	0.6
677.23450	0.1
741.25916	0.1
765.23865	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	966.338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.8
71.53391	0.1
73.02915	0.1
79.05479	1.1
81.03407	2.0
85.02899	0.9
91.05469	6.8
95.04942	0.1
97.02869	0.4
99.04452	0.3
103.05487	0.2
105.03357	0.5
105.07040	0.1
107.04939	2.7
109.02857	1.1
114.29172	0.1
119.04927	18.1
120.05231	0.2
127.03889	0.6
127.70945	0.1
131.04924	1.2
133.06445	0.1
137.05933	0.1
143.04901	0.1
147.04390	100.0
148.04736	1.7
149.05931	0.4
165.05463	3.2
171.04405	0.5
177.05553	0.1
178.07860	0.1
179.08588	0.2
189.05438	0.5
191.03378	0.1
199.03908	0.2
207.08014	0.3
213.05458	0.2
231.08023	0.2
235.07487	1.7
249.07397	0.5
255.06493	0.7
259.07401	0.2
273.07523	1.2
277.08551	3.5
291.08578	3.3
295.09671	1.0
301.08377	0.1
309.09637	12.9
310.09863	0.3
319.09674	0.2
385.10565	0.3
403.11737	0.2
417.11285	0.2
419.11023	0.3
421.12741	0.2
437.12234	0.6
439.13800	0.4
453.13602	0.1
455.13312	2.5
457.14886	0.5
473.13965	0.3
581.15991	0.5
585.17938	0.1
599.17670	0.2
603.18237	0.2
617.18567	0.8
644.38226	0.1
904.06128	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	968.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	42.6
69.03410	5.3
69.07064	10.8
71.04982	3.0
71.53259	3.1
79.05482	31.4
80.93966	1.6
81.03407	56.4
81.07047	50.1
81.64666	1.4
83.04968	7.1
83.08617	20.4
84.45604	1.7
85.02874	2.9
91.03932	2.7
91.05475	30.5
93.07032	36.1
95.04954	20.4
95.08593	15.8
97.02865	5.1
97.06520	7.9
97.10143	8.0
105.07018	24.9
107.04948	10.4
107.08578	18.5
109.06493	5.6
109.10136	8.7
111.04410	2.1
111.08064	7.5
111.52880	1.6
115.05453	3.2
117.07002	9.2
119.08591	15.7
121.06483	7.2
121.10132	14.0
123.08029	4.5
123.11668	4.0
125.09615	6.9
127.03925	2.1
129.06975	9.9
131.04868	1.5
131.08559	16.4
133.06445	2.6
133.10118	15.0
135.08043	5.5
135.11693	10.4
137.09592	4.0
142.07742	2.7
143.08524	3.8
145.05028	1.8
145.06458	2.6
145.10104	11.5
147.07993	5.1
147.11655	11.1
149.09610	6.6
149.13269	9.0
151.11108	2.8
155.08511	2.2
157.10185	8.0
159.11635	6.8
161.09616	1.6
161.13303	2.2
163.11160	4.9
169.10164	3.1
171.11612	3.3
173.13297	2.7
175.11179	7.3
177.12756	2.3
183.11665	2.8
185.13019	1.6
189.11163	2.9
193.12273	13.6
195.13844	2.1
197.13280	2.3
205.12181	2.6
211.13193	3.4
217.15887	1.9
223.13257	1.7
227.12682	4.4
229.14235	3.1
239.18111	2.5
255.15878	4.9
257.18964	2.8
262.24692	1.8
267.15887	47.1
269.17447	26.4
273.14856	2.5
275.20084	8.1
287.05359	1.7
293.21194	2.0
349.23697	7.9
351.23236	2.2
367.24533	4.8
369.24084	3.1
421.25870	2.4
431.28751	1.9
435.27502	2.7
443.27731	5.7
447.27356	12.4
461.28928	100.0
462.29269	3.8
479.29544	2.8
493.31503	7.5
502.00800	2.0
503.29712	2.1
541.35181	23.0
559.36230	14.2
587.31689	2.5
605.33392	2.0
609.36432	2.0
611.85907	1.9
865.93188	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	984.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	5.6
69.07056	17.0
71.04964	1.1
71.12370	2.2
72.86293	0.9
73.02877	0.9
79.05043	1.8
79.05484	25.1
81.03408	4.5
81.07047	29.6
83.04970	2.3
83.08611	7.9
85.02903	3.5
85.06514	1.2
91.03948	2.0
91.05468	15.2
93.07030	23.1
95.04943	7.0
95.08591	20.9
97.02869	8.4
97.06525	3.0
97.10159	7.8
105.07017	11.8
107.04946	3.6
107.08579	16.7
109.06506	2.6
109.10151	10.7
109.10829	1.6
111.04494	1.2
111.08070	1.7
117.07001	5.2
119.08562	10.3
121.06507	1.7
121.10125	10.6
123.08062	2.6
123.11682	1.5
125.09603	5.2
128.06212	1.1
129.07005	2.7
131.08543	6.5
133.06454	0.9
133.10114	6.0
135.08025	2.8
135.11694	5.4
136.82356	1.0
137.09581	2.0
143.08545	2.4
145.10095	5.1
147.08022	3.4
147.11653	4.1
149.13260	2.8
157.10143	2.1
159.11671	2.7
161.09598	1.3
161.13287	2.4
162.10214	1.0
163.14850	1.4
173.13147	1.9
175.11212	1.7
187.14839	1.4
189.11192	2.0
210.82443	0.9
211.13210	1.1
222.20874	0.9
223.13258	14.1
227.12741	2.0
243.21074	1.4
249.14703	1.4
249.50891	1.1
261.22049	6.7
273.18448	8.1
291.19495	71.8
292.19815	1.7
317.24756	1.7
335.25757	68.1
336.26208	1.1
347.22348	1.2
365.23193	41.4
385.45633	1.0
422.95636	1.1
505.35370	1.2
545.38214	3.9
602.45300	1.1
607.43268	1.7
625.44574	100.0
626.44702	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	984.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	8.2
69.06712	1.6
69.07063	23.4
71.04963	1.5
71.54846	2.0
73.02899	1.2
73.36497	0.9
79.05482	33.9
81.03419	5.0
81.07045	39.0
83.04971	2.8
83.08597	10.5
85.02887	3.9
85.06536	1.3
89.09361	0.9
91.03957	1.3
91.05463	23.5
93.07034	29.8
95.04955	8.0
95.08032	1.9
95.08595	24.8
97.02877	8.8
97.06505	3.7
97.10152	11.2
103.05476	1.2
105.07006	16.2
107.04932	6.8
107.08580	19.0
109.06496	2.8
109.10133	12.9
111.08058	2.3
113.21955	0.9
114.16934	1.0
117.07020	8.5
119.08556	11.9
120.05736	1.4
121.06471	2.7
121.10125	10.9
123.08055	2.9
123.11697	2.9
125.09625	8.5
129.06970	1.9
131.08557	10.8
133.06471	2.8
133.10097	7.7
135.08008	2.8
135.11664	6.3
137.09576	2.0
143.08536	2.7
145.10153	6.7
147.07014	1.2
147.08037	5.4
147.11665	5.3
149.09615	1.9
149.13234	4.7
157.10062	3.2
159.11679	4.2
161.09625	2.6
161.13239	2.0
162.10396	1.7
163.11198	1.6
163.14871	1.1
171.11565	1.6
173.11780	1.4
173.13260	2.9
175.11188	1.6
177.12733	2.3
189.11203	3.0
205.12131	2.0
211.13301	1.2
223.13231	16.7
227.12688	4.9
243.21004	2.4
245.19003	1.9
249.14850	3.8
261.22180	6.8
273.18500	12.4
275.20111	1.3
291.19504	100.0
292.19687	1.7
317.24707	3.3
335.25751	62.2
347.22177	1.9
365.23190	64.9
366.23566	2.0
370.57983	1.0
527.37140	1.2
545.38647	5.6
607.43323	2.5
625.44598	84.9
626.44635	3.6
786.12830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	7.7
69.07056	26.5
71.04980	3.0
71.74100	1.7
73.02898	2.9
76.14819	1.8
79.05484	64.5
81.03404	12.0
81.07043	98.5
83.04983	9.9
83.08180	1.8
83.08612	15.3
85.02895	12.9
85.06512	3.5
86.83220	1.5
91.03944	3.5
91.05469	52.7
93.07030	81.6
93.91566	1.5
95.04957	12.3
95.08590	62.6
97.02899	8.7
97.03412	1.5
97.06509	12.1
97.10130	6.5
99.04400	3.8
99.08062	3.7
105.04468	1.8
105.07018	36.9
107.04937	6.6
107.07850	2.8
107.08579	48.0
109.02871	1.6
109.06497	7.5
109.10136	23.1
110.24120	1.5
111.08069	4.8
113.09618	2.3
115.05444	3.1
117.06988	16.8
119.08563	26.7
121.06471	4.1
121.10120	31.7
123.08062	4.5
123.11668	7.8
125.09653	1.9
127.03887	5.6
128.06198	2.4
129.06972	5.9
130.07753	1.5
131.08548	24.2
133.06404	1.7
133.10103	27.7
135.08002	4.5
135.11678	22.3
137.09608	3.6
137.13232	2.6
141.06947	2.8
143.08542	5.8
145.04958	2.6
145.06406	1.7
145.10117	16.6
147.11670	14.3
149.09593	5.9
149.13242	15.2
151.11168	1.7
155.08522	3.1
157.10115	5.6
159.07964	2.0
159.11705	15.2
161.13213	5.3
163.05823	1.7
163.11234	7.0
163.14760	2.6
169.09976	2.4
171.11670	5.0
173.04433	2.2
173.09692	2.3
173.11971	1.6
173.13214	11.0
175.14771	2.9
177.12698	6.0
179.14308	2.0
183.11667	2.7
185.13213	2.1
187.14847	3.0
189.12677	1.6
195.11974	1.9
195.13774	6.3
197.13155	1.7
201.16310	1.7
227.12776	3.0
229.19463	1.7
229.27762	2.0
243.20944	2.6
255.15805	8.6
257.18954	5.0
259.20572	2.4
261.22092	14.1
267.15921	1.9
269.17456	35.4
275.20041	24.5
293.21075	2.1
309.20547	3.7
317.24478	3.0
333.24158	1.9
335.25751	94.9
336.26120	4.3
349.23734	24.2
367.24725	4.7
413.21466	2.7
426.82175	1.5
437.34198	2.2
489.35556	2.9
511.37146	2.6
515.37445	19.7
529.38800	100.0
530.38879	5.8
545.37427	2.4
569.41864	8.8
595.77271	1.9
597.43237	1.9
609.45056	32.5
627.46008	12.0
673.43378	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	7.2
69.07059	27.9
71.04978	4.0
71.56896	2.8
79.05046	3.4
79.05482	57.7
81.03390	11.3
81.07047	96.6
83.04956	9.5
83.08614	14.4
85.02893	12.8
85.06509	3.4
85.25893	2.0
88.99801	1.9
91.03940	6.2
91.05474	44.4
93.07032	79.1
94.65884	1.7
95.04941	11.6
95.08595	57.6
97.02886	9.8
97.06517	12.3
97.10155	5.8
99.04428	2.9
99.08095	2.8
99.58868	1.8
105.07016	29.4
107.04924	6.0
107.08578	44.4
108.20164	1.6
109.06497	6.4
109.10146	26.4
111.04462	2.1
111.08073	5.3
117.07002	18.0
119.08562	28.0
121.06467	5.0
121.10132	31.9
122.53590	2.1
123.08017	3.8
123.11687	9.8
125.09602	3.7
127.03905	6.3
128.90668	1.7
129.07001	4.0
131.08575	21.5
133.10110	23.9
135.08031	3.4
135.11671	20.3
137.09680	2.3
141.06927	2.6
143.08539	3.1
145.10085	14.5
147.11649	13.5
149.09587	5.9
149.13252	19.6
151.11174	3.7
155.08493	2.2
157.10187	4.5
159.11684	18.3
161.13213	7.5
163.11148	6.9
163.14784	3.9
165.12672	1.9
169.59669	1.7
171.11719	4.3
173.04422	4.5
173.13251	7.8
175.14911	2.0
177.12682	4.4
181.10266	2.0
183.11638	2.6
185.13266	2.6
187.14793	4.9
195.12154	2.1
195.13707	9.2
197.13200	2.9
213.14812	1.8
227.12694	2.7
239.17961	2.6
241.19574	2.5
243.21037	4.8
255.15848	17.0
257.18878	5.3
259.20709	2.0
261.22116	15.3
267.15735	4.3
269.17450	58.7
270.17435	2.1
275.17252	2.2
275.20041	27.8
283.99097	1.9
293.21158	2.9
317.24734	4.5
333.24274	2.3
335.25766	92.4
336.26096	2.3
349.23672	25.6
367.24716	5.5
413.21445	4.4
437.34003	2.1
455.34909	2.9
471.43967	2.0
501.35580	2.0
515.37335	16.1
527.04187	1.9
529.38800	100.0
530.39172	3.2
547.39539	1.8
569.41748	3.0
609.45001	28.6
610.45026	3.0
627.46100	13.4
673.42786	4.4
693.46423	2.2
727.52740	2.4
771.50409	2.7
785.25739	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	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	10.6
69.07058	28.2
69.07404	1.0
71.04976	5.1
71.57684	2.6
73.02905	4.2
79.05483	73.6
81.03417	14.0
81.07048	99.5
83.04980	8.0
83.08614	14.1
85.02919	13.0
85.06527	2.4
91.03955	5.3
91.05466	50.4
93.07035	82.5
95.04960	14.9
95.08595	61.2
95.09220	2.3
97.02871	7.6
97.06515	12.2
97.10160	5.9
99.04440	3.5
105.04493	1.5
105.07019	41.6
107.04943	5.7
107.08587	44.4
109.02874	3.5
109.06504	5.8
109.10150	27.8
111.08065	5.2
115.05441	2.7
117.07005	18.4
119.08556	29.6
121.06450	3.7
121.10121	30.6
123.08060	2.9
123.11684	5.8
125.09645	3.5
127.03918	4.3
129.05502	2.0
129.06993	6.8
130.07753	2.7
131.08546	25.4
132.66959	1.7
133.10107	23.7
135.08083	4.1
135.11671	22.8
137.09637	2.1
143.08507	8.7
145.04959	2.8
145.10101	19.9
147.11667	14.5
149.09624	9.1
149.13248	16.4
151.11235	2.1
155.08540	2.3
157.10129	6.0
159.08109	1.6
159.11667	14.7
161.13261	6.3
163.06000	1.5
163.11189	4.5
163.14812	2.5
165.12698	1.6
169.10088	2.7
171.11670	6.0
173.04439	2.6
173.13206	11.1
175.11235	2.3
175.14766	2.2
177.02599	1.6
177.12711	3.0
179.14381	1.9
183.11726	2.5
185.13240	2.4
187.14757	4.0
189.11194	2.0
195.13821	4.1
197.13171	1.9
199.14792	1.8
227.12772	3.7
229.14325	4.2
239.17938	2.5
243.21147	3.6
255.15962	6.9
257.19055	4.9
259.20456	2.2
260.56143	1.5
261.22058	11.9
267.15872	2.4
269.17444	18.8
275.20038	20.2
309.20819	2.8
317.24567	3.0
331.22629	1.9
335.25757	100.0
336.26028	3.4
349.23642	20.5
350.24228	1.7
367.24957	4.4
489.35535	3.4
515.37311	20.3
529.38892	75.7
530.39307	2.4
550.12177	1.8
569.41913	9.5
609.45129	33.6
610.45764	2.1
627.46027	12.0
673.43280	2.8
771.50409	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	994.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07037	1.7
71.08315	2.1
71.08652	0.9
79.05480	7.4
81.07040	8.3
83.08591	1.1
85.02857	1.5
85.04024	1.2
91.05466	7.4
93.07037	7.7
95.08618	4.7
97.01082	1.3
97.02860	1.2
105.07028	6.2
107.08593	3.9
109.10155	2.5
117.06998	2.0
118.06532	1.3
119.08558	3.6
120.74494	0.9
121.10130	2.7
129.06964	1.6
131.08546	2.4
134.06012	2.1
146.05981	23.8
146.07089	1.8
147.06773	2.4
147.11652	1.7
148.07584	1.3
150.03693	2.2
156.38422	1.0
159.11690	1.6
160.07564	1.5
161.13194	1.1
161.80084	1.0
164.07100	2.0
166.03212	3.8
172.07539	1.6
177.03395	1.5
178.03203	7.7
180.04846	1.4
186.09138	1.0
188.10664	1.8
192.04866	1.0
192.06516	13.8
196.04280	10.7
202.12250	1.0
204.04860	1.2
206.08195	1.4
212.03760	3.2
216.13905	1.7
218.08058	2.2
224.03741	42.6
228.13756	1.1
229.14497	2.1
230.15425	1.8
230.49463	0.9
232.09662	2.1
236.03783	1.1
248.03735	2.4
248.11066	1.3
257.14081	1.1
258.14877	4.8
259.20572	1.1
262.05286	1.7
262.12521	5.0
275.15146	30.7
276.03134	1.2
276.10486	1.4
276.15866	14.3
277.07678	1.1
290.12000	12.4
304.15378	4.6
306.11505	8.0
308.13116	51.8
309.13528	2.7
314.12033	2.1
318.11481	2.8
332.13046	4.0
333.24112	1.3
335.25754	5.9
336.12595	48.6
337.12927	1.2
342.11569	2.3
350.14197	1.3
352.12027	17.6
353.12347	1.4
354.13580	3.4
359.14227	3.2
360.12531	7.2
374.14194	7.9
377.15341	4.1
378.18997	2.0
388.12024	3.9
392.15189	8.6
405.14630	1.8
410.16245	6.7
428.17358	16.1
429.17545	1.2
434.16562	1.2
452.17227	3.0
462.16507	2.7
480.17938	3.9
498.19244	1.4
536.20398	1.5
537.18597	1.6
554.21753	1.8
555.19946	3.3
572.23474	1.3
668.35571	2.5
670.37360	3.0
686.37128	9.0
688.38470	6.7
712.38513	2.5
729.40948	3.4
740.37500	2.9
757.40289	1.7
797.39240	2.6
814.42914	24.3
815.41650	15.1
832.43988	100.0
833.44421	8.9
874.45654	4.5
976.48370	6.5
977.47144	1.7
994.49390	13.6
995.49634	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	994.492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	1.2
71.53576	2.0
75.37292	1.0
79.05476	6.0
81.07032	6.8
83.08599	1.3
84.06154	0.9
85.02861	1.7
91.05466	7.2
93.07024	6.4
95.04978	2.0
95.08593	4.5
100.47105	1.2
105.07028	4.8
107.08589	2.5
117.07054	2.4
117.74747	1.0
118.06562	1.6
119.08567	2.8
121.10088	2.2
123.02679	1.2
124.02197	1.0
130.06570	1.1
131.08534	2.9
133.05154	1.1
133.10130	3.1
134.05975	2.3
135.11763	1.2
139.84071	1.0
145.10095	1.4
146.05998	25.0
147.06828	3.0
147.11682	1.8
148.07603	1.0
164.01717	1.3
164.07089	1.6
166.03220	3.4
175.14806	1.2
178.03180	9.2
180.04730	1.7
186.09268	1.5
192.06546	12.1
196.04285	9.5
202.03169	1.3
202.12178	1.1
206.08034	1.8
212.03751	4.0
216.13800	2.3
218.06287	1.1
218.08197	1.2
224.03740	37.1
228.13768	1.2
230.15366	2.7
232.09692	2.1
248.03783	4.3
258.14935	3.8
260.11044	1.6
262.05319	1.6
262.12668	4.2
274.14569	1.2
275.15121	28.0
276.03311	1.2
276.15839	11.6
290.12061	11.2
304.15332	4.1
306.11542	8.0
308.13110	51.6
309.13528	1.8
314.12003	1.6
318.11853	1.8
322.16568	1.2
332.13113	3.5
335.25851	6.1
336.12607	45.4
337.12964	2.5
352.12036	15.6
353.12491	1.2
354.13589	3.6
360.12616	7.9
374.14227	8.1
377.15292	3.2
378.19003	1.3
388.12134	3.0
392.15155	8.1
405.14932	1.4
410.16248	7.8
428.12161	1.6
428.17422	18.8
452.17300	1.9
462.16556	2.1
480.17841	3.6
554.21582	1.8
555.19958	3.2
615.13110	1.1
668.36346	1.3
670.37775	1.4
686.37244	8.8
687.37909	1.2
688.38306	5.9
712.38873	2.3
729.40778	3.4
740.37805	2.4
757.40576	1.7
796.41406	1.4
797.39984	2.4
814.28827	1.6
814.42969	25.3
815.41663	14.5
832.43988	100.0
833.44604	6.5
874.44403	5.5
958.47937	1.5
976.47992	6.4
977.48059	1.8
994.49567	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71717	2.6
55.01762	30.6
57.03329	15.8
58.00464	7.0
59.01254	72.3
59.54968	3.2
68.99693	4.0
71.01257	57.2
71.53681	4.7
72.01598	3.6
72.99188	8.0
73.02824	100.0
83.01254	5.4
95.43405	3.1
97.41187	3.2
100.94495	31.8
101.02326	61.8
102.05476	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	1011.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19795	1.8
70.20163	1.9
71.01250	1.6
76.77927	0.9
78.95752	0.8
80.69906	0.9
81.03316	3.1
83.01254	7.6
83.59836	0.8
88.98653	1.1
93.03359	6.8
95.01222	1.0
95.04906	4.8
96.95864	2.3
96.96850	1.5
97.02836	8.9
98.20565	0.9
101.02293	1.0
102.05488	5.5
108.02065	1.4
109.02840	29.5
111.04412	1.6
121.02843	6.6
123.04420	17.4
125.02345	23.7
125.09660	1.1
126.88314	1.0
128.03430	2.5
133.02870	0.9
135.04442	4.4
137.02345	26.0
138.03091	2.4
139.03909	6.6
143.04897	0.9
145.02835	2.0
146.03578	1.6
146.04543	13.8
147.04716	1.8
147.05966	0.8
148.20459	0.8
149.02342	9.5
150.03091	1.3
151.03922	10.8
151.31693	0.8
158.03522	0.8
159.04424	5.5
160.05203	1.9
161.02402	4.5
161.06000	10.2
162.03134	3.6
163.00253	2.5
163.03864	2.1
164.01068	6.3
164.04465	0.9
165.01823	11.1
165.05472	1.4
166.02536	1.4
167.03423	3.7
173.04463	3.3
173.05901	1.7
174.03094	2.0
175.03920	4.3
175.07574	4.0
176.01096	1.1
177.00487	0.9
177.01804	4.8
177.05511	1.0
179.03447	10.3
180.72408	0.8
185.05977	1.4
185.30696	0.7
187.03964	7.7
188.04764	5.9
189.05600	1.1
190.02682	0.9
199.07568	1.5
201.05580	1.6
202.06351	4.0
203.03331	1.8
203.05157	1.3
203.07077	23.2
205.05026	14.6
207.10178	1.3
212.04695	1.5
217.04869	1.3
221.08141	3.8
223.13431	2.9
227.07098	4.5
230.05824	1.6
241.05128	1.0
245.08173	26.4
246.08560	1.7
247.06044	2.0
265.14380	1.2
271.06192	2.1
277.21796	2.2
285.04065	3.2
289.07196	100.0
290.07623	5.5
291.19574	1.0
303.05121	1.6
384.80762	0.9
450.20538	1.1
469.95319	1.0
859.44800	4.6
967.48120	1.9
993.47943	5.5
994.48468	1.9
1011.49622	92.1
1012.49847	22.4
1012.65613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01218	1.2
71.54024	1.1
73.02811	1.4
79.01757	1.1
81.03320	3.9
83.01253	8.5
83.04897	1.1
85.02818	1.4
89.90664	1.1
93.03343	8.5
95.01251	1.3
95.04894	4.9
96.95898	1.6
97.02831	9.7
97.41476	0.9
99.04393	1.1
101.08222	0.8
104.46167	0.8
107.04890	1.3
108.02043	2.9
109.02837	33.3
111.04373	2.7
114.12934	0.9
121.02846	6.3
122.03608	2.0
123.00762	1.5
123.04409	20.1
125.02341	28.1
125.09574	1.1
133.02846	1.5
133.06497	1.3
135.04396	4.0
137.02342	25.8
137.05936	0.9
138.03061	1.4
139.03969	4.7
143.04898	1.3
145.02849	2.7
146.03635	3.4
147.04306	1.3
149.02350	9.9
150.03143	1.5
151.03893	11.3
155.03470	1.3
157.06572	1.2
159.04459	6.7
160.05182	2.1
161.02388	5.9
161.06001	12.8
162.03123	3.3
163.00276	2.5
163.03868	2.2
164.01112	7.5
165.01837	11.0
165.66797	0.8
166.02405	1.2
167.03381	3.8
173.04503	7.9
174.03178	0.9
175.03868	5.3
175.07547	3.3
175.86673	0.8
176.01060	1.7
177.01863	5.4
177.05446	1.8
179.03386	10.5
183.04446	1.1
185.05957	2.1
187.03931	10.6
188.04712	7.7
189.01743	0.9
199.07501	1.4
201.05496	2.0
202.06264	4.2
203.03452	1.2
203.07083	23.8
205.04987	16.1
207.10262	1.0
209.11774	1.2
215.03368	0.9
217.04997	1.1
221.08177	4.5
223.13367	1.6
227.07042	4.5
231.03001	2.3
245.08165	31.0
246.08714	1.0
247.06084	3.7
271.06104	2.0
277.21716	8.6
278.21646	0.9
285.04022	5.0
289.07190	100.0
290.07443	7.0
296.97559	1.0
303.05157	2.1
309.20844	1.6
377.54562	0.9
565.92230	1.0
805.43604	2.2
859.44672	5.3
967.48419	1.1
993.48694	7.4
1011.49658	88.8
1012.49921	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02855	0.3
71.01261	0.3
72.00785	0.5
74.02346	9.0
80.03681	0.3
81.04449	0.6
82.02851	1.0
83.02374	0.2
84.04430	0.6
85.03954	0.3
86.02351	3.2
86.05997	0.4
86.98978	1.0
87.00766	0.2
87.05505	1.7
87.55167	0.2
88.03935	0.3
90.00066	0.9
95.02377	0.2
96.04444	0.3
97.03967	1.0
99.05518	9.0
100.00262	0.2
101.07072	1.6
102.05492	1.8
106.08804	0.2
107.06053	0.6
109.02887	0.2
109.03975	1.8
109.07587	0.5
110.02367	0.2
111.05522	0.9
112.03925	0.8
113.07095	0.2
116.01633	1.0
121.03928	0.2
123.05540	0.9
124.03925	0.5
125.02332	0.3
125.03438	1.1
125.75444	0.2
126.01863	0.4
126.04306	0.2
127.05019	1.6
128.03430	24.6
129.03763	0.5
129.99583	0.4
131.04504	0.3
135.05519	2.5
136.04254	0.2
137.06084	0.2
137.07121	0.6
139.05057	0.3
141.06595	2.1
143.04526	31.6
144.04855	0.6
145.06068	1.6
146.04495	3.1
146.16211	0.2
149.07111	0.4
153.06606	2.4
155.08191	0.5
160.00650	8.7
166.08516	0.2
166.09732	1.3
167.04515	2.4
167.08153	1.4
170.03249	0.5
171.04004	0.4
171.07713	0.5
175.02315	0.2
177.03333	3.1
179.04555	7.9
180.04863	0.2
180.07710	0.3
181.06068	1.0
184.10866	0.5
185.05569	1.2
191.05484	0.3
192.07713	1.0
197.05574	0.8
203.76237	0.2
209.11740	1.3
210.08777	7.3
211.09068	0.2
227.13071	0.3
228.09744	0.3
236.06657	0.3
242.07829	1.0
254.07820	7.7
255.08034	0.3
272.08884	13.1
273.09186	0.6
288.06622	5.0
306.07648	100.0
307.07944	4.7
443.37057	0.2
806.11633	0.2
871.06903	0.2
918.42847	0.3
950.45636	0.3
980.42523	0.9
994.43958	0.3
1012.45319	4.8
1013.45758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02799	10.4
95.35927	8.6
96.95860	14.9
98.20358	11.6
107.39042	9.2
116.92727	25.1
118.92544	11.0
119.94576	15.8
125.02348	18.4
141.07671	10.5
188.27234	9.7
191.89058	10.0
296.93188	11.1
499.30118	13.6
524.11926	10.9
540.66614	23.1
541.31818	100.0
542.32159	22.0
763.36407	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	1027.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	1.2
74.58282	1.1
78.95779	2.0
81.03330	3.3
83.01267	8.1
92.76094	1.0
93.03360	6.8
94.28674	1.0
95.01273	4.7
95.04899	5.2
97.02831	7.7
101.02325	1.6
107.04962	1.9
108.02060	1.2
109.02846	26.2
111.04420	3.5
121.02833	4.8
123.00785	7.1
123.04387	2.3
124.01585	5.5
125.02348	79.7
126.02681	2.2
135.04410	3.5
137.02361	50.3
138.03027	3.3
139.03935	22.6
147.04396	1.6
149.02368	4.7
149.05989	2.6
151.03915	5.1
152.99542	2.2
153.01823	1.1
158.03720	1.2
158.62334	1.0
159.04401	2.1
161.02348	4.5
162.03168	2.3
163.00215	2.3
164.01089	11.5
165.01862	31.9
166.02386	1.7
167.03435	18.0
173.05992	2.4
175.03935	6.3
176.01079	2.6
176.04655	2.1
177.01868	16.7
177.05505	7.8
178.02637	1.6
179.03458	20.2
191.03371	2.7
191.07080	3.9
201.05542	2.0
203.03441	5.7
204.04254	5.7
218.05695	1.5
219.03232	1.2
219.06599	19.8
220.06879	1.3
221.04489	12.4
223.13315	1.7
225.11334	1.2
243.06635	1.8
253.09325	2.3
261.07678	6.9
277.21735	15.9
278.21960	1.3
287.05695	1.5
305.06686	99.3
306.07159	6.9
332.19473	1.1
397.13455	1.1
513.17767	4.0
542.53406	1.1
570.90051	1.3
595.28864	2.6
805.44269	2.3
859.44263	4.2
860.45624	1.5
983.47644	1.8
1009.47998	8.7
1027.49084	100.0
1028.49573	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	1029.216
Annotation	Unknow
Peak:m/z	Relative Intensity
85.16794	0.2
91.01767	0.3
97.04399	0.2
98.19756	0.3
107.01257	1.3
107.07948	0.2
108.02041	1.3
109.02847	0.4
121.02845	0.6
125.02357	0.2
129.48897	0.1
134.34302	0.2
135.00763	0.6
148.01572	1.0
151.00281	3.7
152.00949	0.3
163.00276	0.9
164.01051	0.5
169.01396	0.4
174.02985	0.2
178.99796	2.7
187.03902	0.3
191.05577	0.3
192.00516	0.4
198.03099	0.2
199.03864	0.5
203.03503	0.3
211.03920	0.5
215.03491	0.5
216.04256	0.4
226.02632	1.1
227.03430	2.5
228.04059	0.2
230.14091	0.3
242.02216	0.2
243.02960	8.5
244.03392	0.6
245.04282	0.2
254.02202	1.7
255.02965	22.9
256.03281	1.4
259.45801	0.2
270.01758	0.2
271.02469	54.9
272.02911	4.1
273.03983	0.2
299.01968	2.2
300.02734	100.0
301.03305	11.9
301.06967	0.4
302.03815	0.4
316.02039	0.5
325.03384	0.2
387.75671	0.2
390.44513	0.2
415.06747	0.3
433.07864	0.2
463.08835	6.3
464.09198	0.6
565.11951	96.5
566.12292	10.4
566.21185	0.4
697.89410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.376
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	0.8
85.02829	2.4
87.00772	1.0
89.02314	5.3
93.03319	5.3
95.01243	0.7
101.02341	3.7
113.02363	3.4
117.02555	1.6
117.03349	20.9
117.04189	1.1
118.03634	1.0
119.03515	1.7
119.04916	64.3
120.05251	2.5
121.02872	4.4
123.04375	1.9
124.55167	0.7
125.02355	0.8
128.03386	1.9
131.04921	1.7
132.05679	4.9
133.02846	0.9
133.06487	22.9
135.04446	0.7
137.02411	0.7
143.03484	0.9
143.04663	0.9
145.02853	100.0
146.03188	4.4
147.04428	15.9
149.02303	0.9
149.05937	1.0
150.03186	1.1
159.04430	2.3
160.00531	0.8
161.05994	42.3
162.03087	1.0
162.06323	2.3
163.03917	73.1
164.04262	2.8
177.01912	1.3
177.05495	23.2
178.05788	1.1
179.05536	2.1
187.04031	3.9
205.05002	52.5
206.05307	2.4
217.05069	0.8
235.06087	48.2
236.06348	2.5
265.07159	95.1
266.07471	5.5
304.06073	4.5
305.06403	1.2
307.08090	2.2
325.09268	43.9
326.09637	2.8
327.10806	13.1
413.79282	0.9
473.14502	40.2
474.14960	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	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33965	0.3
72.00781	0.8
74.02345	10.3
79.62711	0.1
81.04453	0.5
82.02857	1.3
83.02386	0.2
84.04422	0.3
85.03934	0.4
86.02354	3.7
86.05978	0.3
86.98978	1.2
87.05511	2.1
87.95599	0.2
88.03918	0.3
90.00049	1.2
95.02364	0.3
96.04396	0.2
97.03963	1.0
98.02363	0.4
99.05521	8.6
100.00270	0.2
100.03973	0.1
101.07108	1.4
102.05492	1.5
107.06054	0.6
109.03957	2.0
109.07576	0.6
110.02347	0.2
111.05539	0.9
111.61549	0.2
112.03931	1.2
113.03449	0.4
113.07126	0.2
116.01658	0.9
120.01157	0.6
121.03956	0.3
123.05533	0.9
124.03943	0.6
124.07560	0.2
125.03492	1.3
126.01875	0.5
127.05013	1.9
128.03426	25.5
129.03748	0.4
129.99583	0.5
131.04510	0.4
133.82195	0.2
135.05539	2.7
137.07103	0.6
139.05013	0.2
141.06586	1.9
143.04524	31.8
144.01164	0.2
144.04948	0.8
145.06056	1.6
146.04501	3.2
149.07109	0.4
153.06595	2.6
155.08162	0.4
160.00652	9.5
161.00940	0.2
166.09756	1.5
167.04539	2.8
167.08168	1.5
170.03265	0.6
171.03993	0.5
171.07686	0.5
177.03313	3.5
179.04539	7.6
180.04834	0.3
180.07742	0.2
181.06094	0.9
184.10776	0.5
185.05597	1.2
192.07773	0.8
197.05577	1.1
198.08755	0.2
209.11778	0.5
210.08781	7.6
211.09047	0.5
213.03297	0.3
228.09825	0.4
242.07751	0.9
254.07805	9.2
255.08058	0.4
272.08878	15.9
273.09131	0.9
277.18805	0.2
277.21539	0.8
288.06604	6.0
289.06863	0.5
306.07645	100.0
307.07922	5.2
341.23279	0.2
1012.50317	0.3
1030.51831	4.3
1031.52344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00791	0.5
74.02350	8.9
77.28122	0.2
80.26856	0.2
81.04459	0.8
82.02859	0.9
84.00771	0.2
84.04428	0.4
85.03951	0.3
86.02361	2.7
86.05991	0.6
86.98976	1.0
87.05521	1.8
90.00079	0.8
93.03311	0.2
95.02404	0.3
96.04421	0.4
97.03973	1.0
98.20566	0.4
99.05527	7.7
100.00272	0.3
101.07085	1.3
102.05482	1.4
107.06038	0.5
108.04443	0.3
109.03970	1.4
109.07616	0.4
111.05526	0.7
112.03927	0.8
113.03497	0.3
116.01664	0.7
120.01171	0.4
123.05540	0.9
124.03957	0.4
125.03457	1.2
126.01868	0.4
127.05048	1.4
128.03444	22.3
129.03789	0.4
129.99615	0.3
131.04553	0.4
135.05562	3.0
137.07106	0.5
139.04959	0.2
139.08543	0.2
141.06613	1.9
143.04536	29.9
144.01128	0.2
144.04868	0.6
145.06084	1.2
146.04524	2.3
149.07088	0.4
153.06619	2.3
155.08118	0.2
160.00659	9.3
161.01060	0.3
166.09781	1.7
167.04552	1.9
167.08180	1.3
170.03227	0.3
171.04062	0.4
171.07610	0.4
177.01819	0.4
177.03310	3.7
179.04562	7.4
180.04863	0.3
180.07715	0.2
181.06110	0.9
184.10822	0.4
185.05608	1.2
192.07735	0.5
197.05667	0.9
198.08817	0.2
209.11777	0.8
210.08815	6.9
211.09132	0.2
213.03342	0.2
228.09802	0.2
231.04430	0.3
242.07788	0.7
254.07822	8.4
255.08244	0.5
272.08911	14.9
273.09201	0.8
277.21698	0.5
288.06638	6.2
289.06888	0.4
306.07675	100.0
307.07962	5.5
341.23410	0.8
342.23560	0.4
429.46243	0.2
449.88831	0.2
519.85254	0.2
1012.50342	0.3
1030.51807	4.2
1031.51880	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	1043.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	0.4
107.01278	1.7
108.02055	0.5
109.02838	0.8
121.02812	0.9
135.00795	0.5
148.01559	0.8
151.00258	7.2
163.00285	1.8
169.01358	0.7
178.99794	3.4
183.04462	0.4
187.03957	0.4
198.03067	0.3
199.03864	0.5
203.03419	0.5
207.37350	0.3
211.03961	0.7
215.03517	0.4
216.63567	0.3
226.02711	0.9
227.03424	3.6
228.03877	0.5
229.01227	0.5
229.04999	0.5
230.02133	0.3
239.03566	0.3
241.01491	0.3
243.03011	6.5
244.03606	0.5
245.04482	0.8
249.63115	0.3
254.02199	1.0
255.02963	20.8
256.03302	1.4
257.04483	0.4
271.02475	37.2
272.02924	3.4
273.03915	0.8
283.02451	1.0
284.00357	0.5
284.03290	6.4
285.03973	1.3
287.01843	0.6
299.01978	1.3
300.02737	80.2
301.03470	31.8
302.03757	1.5
315.01483	0.8
316.02066	0.5
358.96469	0.3
463.08820	100.0
464.09180	9.4
464.15802	0.4
477.06915	1.3
565.11945	1.0
579.13574	7.3
580.13660	0.9
621.09473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99184	4.8
73.02813	1.1
83.01272	2.3
85.02830	10.5
87.00750	4.0
89.02325	100.0
90.02664	1.4
95.01269	5.6
99.00760	0.6
101.02331	43.9
101.38855	0.3
102.02670	0.6
103.36493	0.4
107.03391	0.5
113.02341	31.8
114.02678	0.6
119.03400	39.7
120.03752	0.7
125.02354	1.6
131.03419	5.9
135.04442	0.5
143.03421	12.4
145.02861	1.4
149.04471	5.0
154.88457	0.4
161.04483	13.7
161.05835	0.8
179.05547	47.4
180.05911	1.3
180.07834	0.9
191.05562	0.4
223.07701	0.5
223.09682	2.1
224.04778	1.6
225.09137	0.5
227.10768	1.4
231.26900	0.4
238.06389	1.1
239.10774	1.2
241.08836	1.9
251.07079	0.5
252.04236	0.5
252.08061	0.6
253.08763	0.5
255.10217	4.7
256.10559	0.4
265.08820	0.6
266.05869	2.0
266.09454	0.6
267.10248	1.2
269.11938	1.3
270.05225	0.7
270.12622	1.7
271.02664	0.7
277.79489	0.5
281.08408	0.5
282.09097	0.7
283.09775	26.4
284.10147	1.7
293.08328	0.5
294.09027	1.2
295.09653	3.0
296.10532	1.9
297.11356	1.7
298.12091	3.6
300.02765	1.1
301.03488	0.9
309.08105	0.5
309.11365	1.4
310.08612	0.8
310.12143	2.2
311.09277	65.7
312.09607	6.0
325.10806	11.2
326.11603	46.0
327.11996	3.7
330.10995	0.4
341.13950	66.5
342.14328	6.3
359.15033	1.1
447.09296	0.4
472.61209	0.4
521.20728	2.8
593.17938	0.4
866.25568	0.5
1057.89636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02348	10.2
74.50401	0.4
76.87408	0.4
81.04440	0.8
82.02853	0.8
84.04428	0.6
85.03947	0.5
86.02344	5.1
86.05987	0.8
86.98955	1.3
87.05527	2.5
88.03900	0.7
90.00063	0.9
96.04460	0.6
97.03966	2.1
99.05523	9.1
100.00251	0.8
101.07079	2.0
102.05467	1.4
105.39290	0.5
109.03963	2.0
111.05536	0.7
112.03894	1.0
116.01637	0.6
116.34169	0.5
123.05531	1.1
124.03988	0.6
125.02322	0.6
125.03465	1.2
127.05027	2.3
128.03435	29.6
131.04503	0.6
135.05533	3.4
137.07106	0.9
141.06635	2.3
141.39082	0.5
143.04532	33.8
145.06093	1.7
146.04506	3.9
149.07056	0.5
150.23198	0.5
153.06616	3.0
155.08142	0.7
159.30894	0.5
160.00652	9.9
166.09758	1.6
167.04556	3.3
167.08165	1.4
170.03252	0.5
171.07698	1.1
177.03325	3.6
179.04526	7.3
181.06105	1.7
185.05611	1.3
192.07802	0.6
197.05595	0.7
203.04776	0.5
210.08803	6.8
228.09740	0.8
242.07838	0.6
254.07831	11.8
255.08200	0.9
272.08887	21.8
273.09402	1.2
288.06656	6.7
304.06100	6.6
305.08963	0.6
306.07663	100.0
307.07898	5.7
314.08133	0.9
332.09195	6.5
1046.51245	3.2
1047.49744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02346	10.3
79.43259	0.5
81.04460	0.9
82.02847	1.4
84.04454	0.8
86.02364	4.3
86.06003	0.6
86.98965	1.7
87.05512	2.3
90.00050	0.9
93.03333	0.8
97.03945	1.9
98.20096	1.4
99.05527	9.1
101.07080	1.7
102.05492	2.1
106.47178	0.4
109.03947	2.0
111.05499	0.9
112.03930	1.6
116.01597	0.7
123.05518	1.5
124.03925	0.9
125.03439	1.4
126.01799	0.8
127.04987	2.4
128.03436	32.9
129.03781	0.6
129.99615	0.6
131.04530	0.5
135.05542	2.3
137.07133	1.1
141.06583	1.9
143.04529	35.3
144.04881	0.7
145.06094	1.8
146.04501	3.4
153.06593	2.6
160.00652	11.2
166.09738	1.5
167.04500	2.8
167.08205	1.1
170.03204	0.6
171.03979	0.6
171.07661	1.3
177.03313	3.3
179.04546	8.1
180.04826	0.5
181.06180	0.8
185.05632	2.2
192.07745	0.9
197.05568	1.4
199.07175	0.7
203.04854	0.7
210.08762	6.9
234.42995	0.5
242.07831	0.6
243.29205	0.4
254.07832	11.7
255.08310	0.5
272.05865	1.1
272.08884	22.7
273.09314	1.2
277.21881	1.0
288.06583	6.8
304.06082	1.1
305.08676	0.7
306.07657	100.0
307.07938	5.3
320.09457	0.6
332.09164	5.4
454.99265	0.5
529.81726	0.5
1046.50757	2.3
1047.51282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
80.13297	0.2
84.87926	0.3
85.02839	0.2
97.41376	0.3
99.08015	0.2
107.01261	0.8
108.02058	1.0
109.02800	0.4
116.42245	0.3
121.02850	0.6
135.00764	0.5
135.04411	0.4
145.08626	0.8
148.01595	0.7
150.99158	0.3
151.00281	3.7
157.62921	0.3
159.02399	0.2
163.00259	0.6
164.00983	0.5
178.99776	2.3
187.03955	0.3
191.05499	0.4
192.00618	0.3
199.03996	0.5
202.11337	0.2
211.03975	0.4
215.03438	0.6
216.04173	0.6
226.02623	1.3
227.01332	0.2
227.03387	1.4
243.02959	7.5
244.03481	0.5
254.02240	1.6
255.02972	20.4
256.03510	1.3
271.02469	45.6
272.02908	3.7
273.04013	0.4
299.02048	1.6
300.02740	91.6
301.03339	11.7
302.03888	0.3
390.84460	0.3
443.54794	0.2
453.19855	2.4
595.13031	100.0
596.13403	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00751	13.7
81.03342	1.3
83.01273	2.5
85.02832	7.1
87.00761	39.6
88.01080	1.4
89.02320	5.7
89.22842	0.7
93.03339	1.4
95.01276	1.2
95.04881	1.2
97.02837	3.1
97.06457	0.7
99.00765	2.4
101.02335	8.0
108.02003	0.7
109.02852	2.6
111.00761	1.6
111.04417	1.6
113.02347	6.5
115.00272	60.0
116.00597	1.7
119.03398	1.7
121.02826	0.9
123.04422	2.3
123.08054	0.8
124.25962	0.6
125.02357	5.4
127.03925	2.8
135.02899	2.0
139.03961	0.9
139.22523	0.8
141.01784	0.9
141.02948	0.6
143.03387	1.7
151.03864	0.9
157.01289	1.1
161.04477	1.3
169.04996	2.8
169.12241	2.5
171.10210	14.9
173.38072	0.6
175.02414	100.0
176.02744	5.8
177.02895	1.2
179.05524	1.8
179.14342	0.7
191.05530	1.5
193.12314	2.1
195.13853	2.5
197.11787	15.3
198.12068	1.4
202.52951	0.8
203.98399	0.7
205.12215	0.8
207.10191	0.8
209.11761	1.5
211.13312	1.1
221.06709	1.4
221.11815	1.8
223.13409	2.6
225.11299	1.4
225.14941	0.9
229.14609	0.7
235.08214	1.4
235.13319	1.9
237.11259	1.2
237.14948	0.7
239.12904	4.0
241.14420	1.7
245.11826	2.7
251.12708	0.7
253.14375	1.0
263.12946	2.3
267.12436	4.2
277.21762	25.5
278.22137	2.2
285.13467	8.3
297.13577	1.4
306.07632	0.9
379.12381	3.2
397.13443	10.3
398.14578	0.9
412.25732	0.8
415.14667	3.7
551.23572	1.4
569.24286	1.2
622.71472	0.9
657.34595	1.1
665.26776	2.8
675.36365	1.4
683.28021	3.2
808.14465	0.9
899.47052	3.2
900.47559	1.2
909.48053	1.2
921.48389	2.8
925.47540	1.6
927.49561	1.6
939.46802	4.8
940.47894	1.0
941.47241	6.0
942.48065	1.7
943.49158	58.7
944.49554	15.2
955.48663	1.4
957.50708	1.4
965.47955	2.5
973.50592	2.7
983.48901	15.3
984.49005	3.6
1001.49695	3.9
1043.50781	1.8
1061.50513	1.3
1062.52466	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	1063.6564
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00761	0.3
79.05404	0.4
81.03345	1.3
81.06980	0.5
83.01266	0.4
83.04905	3.1
84.02073	0.2
85.02834	6.3
87.00773	0.7
87.04396	1.5
89.02324	2.2
91.05389	0.2
91.85577	0.1
93.03355	0.2
95.01268	2.5
95.04916	0.7
96.95936	0.2
97.02814	0.9
97.06463	0.9
99.04410	0.6
101.02334	2.8
102.36845	0.1
105.06963	0.2
106.04125	0.2
107.04932	0.8
107.08574	0.3
109.06493	1.6
111.04418	1.2
113.02342	13.4
113.05917	0.2
114.02646	0.3
119.03381	1.4
119.04898	0.3
119.08557	0.2
120.05737	0.4
121.06492	0.7
123.04427	0.5
123.08057	0.5
125.02369	0.4
125.05998	2.4
125.07022	0.2
125.61095	0.2
131.03403	0.3
133.06506	0.6
133.10127	1.7
135.04431	0.2
135.08113	1.3
135.11710	13.0
136.12039	0.6
143.03412	1.4
143.08565	0.3
144.05742	0.4
145.06543	0.2
146.07336	0.4
147.08125	0.3
147.11731	0.3
149.09616	0.3
152.04694	0.2
159.08070	2.8
159.11720	2.9
160.08403	0.1
161.04485	5.5
161.09654	8.4
162.10019	0.4
163.11215	0.5
171.11713	0.2
173.09715	0.2
175.07608	0.2
175.11247	1.1
177.09215	0.3
177.12799	3.9
178.13173	0.3
179.10718	80.6
180.11055	3.3
189.12828	0.6
191.05579	0.2
191.10823	0.5
193.12337	1.7
201.09178	0.3
203.10735	2.5
205.08646	3.1
207.13710	0.3
219.10286	0.2
221.11809	7.6
222.12163	0.3
223.09737	100.0
224.10071	5.0
224.17639	0.6
225.16043	2.9
225.18121	0.3
226.16377	0.3
233.11926	0.3
237.11317	0.8
242.18806	0.3
247.09772	0.5
251.12898	1.5
252.12892	0.1
265.10831	14.8
266.11115	0.7
277.10825	0.4
281.14044	0.5
295.11896	2.9
296.12308	0.3
309.21783	0.2
325.12946	7.6
326.13239	0.5
341.16061	0.6
341.29181	0.2
367.14032	0.2
367.27139	0.4
385.15073	27.7
386.15378	2.0
433.32065	0.3
450.34457	0.4
451.33069	2.2
479.66391	0.1
503.55646	0.2
550.43134	0.3
565.44513	0.2
659.48077	0.7
677.49762	41.4
678.50122	6.2
678.59241	0.1
750.68390	0.2
901.60406	1.2
902.60504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01245	0.4
83.49660	0.3
96.54585	0.2
107.01264	1.3
108.01970	0.3
108.63136	0.2
109.02805	0.3
124.01585	1.4
125.02347	0.4
135.00822	0.4
136.01561	0.4
137.02330	1.6
151.00284	3.7
152.00999	0.8
161.02431	0.2
163.00279	1.3
164.01091	1.0
169.01323	0.5
175.74977	0.2
178.99800	4.3
187.03857	0.3
192.00571	0.4
199.03926	0.4
203.03461	0.7
204.04140	0.4
214.02657	4.3
215.03348	0.7
216.04124	0.3
226.02803	0.3
227.03532	1.0
231.02940	0.3
232.03569	0.4
242.02155	3.9
243.02977	3.0
255.02966	3.2
259.02435	3.7
260.03024	0.4
270.01712	4.2
271.02475	31.6
272.02805	2.1
273.03693	0.3
287.01981	16.3
288.02533	2.0
299.02011	0.9
300.02759	11.5
301.03329	1.6
315.01410	1.9
316.02228	75.9
317.02899	13.9
318.03479	0.7
329.03137	0.4
360.86752	0.2
386.26907	0.3
430.11893	0.2
477.06567	0.3
478.07288	0.9
479.08304	100.0
480.08655	8.5
595.13025	15.0
595.27100	0.3
596.04248	0.3
596.13452	2.2
629.73590	0.2
1104.04980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03352	0.9
83.01276	0.4
85.02829	4.8
85.18032	0.2
87.00764	1.4
87.06212	0.2
91.95450	0.2
93.03336	3.6
97.02812	0.5
99.04390	0.4
109.02853	0.8
111.04412	0.9
121.02842	0.5
123.04455	0.3
125.02345	4.0
127.03954	1.1
129.65550	0.2
137.02336	2.1
140.70168	0.2
149.04828	0.2
151.00333	0.2
154.74535	0.2
163.00299	0.5
163.03922	0.2
164.01094	0.3
165.01862	1.8
167.03444	2.5
167.88773	0.2
169.06526	0.3
169.91360	0.2
171.02943	0.4
173.04498	1.0
175.03799	0.2
177.01854	0.3
183.04485	0.5
185.06041	0.8
191.05548	37.9
192.05885	1.0
195.04445	0.3
196.05203	0.6
197.06007	2.8
198.03227	0.4
198.06441	0.2
199.03966	0.6
200.04477	0.2
201.05544	0.3
211.03940	0.9
212.04715	0.8
213.01944	0.5
213.05496	2.5
214.02675	2.8
214.05948	0.2
215.03499	0.3
215.07101	2.1
217.05054	0.7
223.03935	1.3
224.04733	0.5
225.05505	4.4
226.02710	0.8
227.03424	2.3
228.04224	0.3
229.01389	9.3
229.05070	0.7
230.02158	1.3
235.04053	1.7
237.05525	0.7
239.03496	1.3
240.04240	2.3
241.05026	13.1
242.02180	0.9
242.05367	0.8
243.02855	0.7
243.06601	3.0
244.07011	0.3
249.05223	0.2
251.03473	3.3
252.03987	0.4
253.05051	3.7
254.05356	0.3
255.02972	0.6
255.06439	0.4
257.04321	0.3
259.06195	0.3
260.04846	0.2
261.05554	0.4
263.03470	2.9
264.04233	1.8
265.05038	1.2
267.02972	4.1
268.03589	0.5
269.04553	8.3
270.04761	0.5
271.02600	0.2
271.06104	0.8
272.03198	0.5
275.07184	0.6
277.05106	0.5
278.05743	0.4
279.03018	1.4
279.06509	0.8
280.03546	0.3
281.04791	1.0
281.07632	0.2
287.05701	1.3
289.04987	0.4
291.03015	1.0
291.06317	0.4
295.02493	0.3
296.03104	0.3
297.04059	5.3
297.07391	0.2
299.07101	0.4
300.02756	0.4
301.04861	0.3
303.06604	1.2
304.07227	0.4
305.04535	0.8
305.08072	0.4
307.06204	0.8
309.04129	0.8
310.04428	0.2
313.04855	0.3
315.05035	1.8
317.08206	0.5
319.06125	0.5
321.07977	1.0
323.05493	0.3
323.09094	0.4
325.07523	0.3
327.06757	0.4
329.07980	0.3
330.05255	0.5
331.06189	1.5
335.09445	0.3
343.06335	0.3
345.07693	1.6
347.05536	0.6
347.09305	0.5
349.07166	1.1
361.07434	0.3
363.08777	0.7
365.06458	0.3
367.08331	0.3
371.05646	0.8
373.07175	1.5
375.04932	0.4
389.06671	2.8
391.08255	1.5
399.05081	0.5
407.07825	0.5
409.09183	0.7
417.06244	2.0
435.01257	0.4
435.07217	7.2
436.07486	0.8
447.09167	0.5
453.08301	2.2
489.10413	3.2
518.46039	0.2
609.12445	1.5
610.13080	0.4
627.13556	100.0
628.13898	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	1077.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00756	13.3
81.03338	0.5
82.49121	0.4
83.01243	0.6
83.04920	0.7
84.67920	0.4
85.02831	5.6
87.00751	3.6
89.02342	3.2
93.03354	3.6
95.01280	0.5
97.02837	3.4
99.00778	0.4
101.02328	3.2
108.76797	0.3
111.00789	0.5
111.04409	1.3
113.02367	1.3
115.00282	2.1
115.03912	0.9
117.01851	0.6
118.78662	0.4
125.02342	1.5
127.03948	0.5
129.01846	100.0
130.02200	1.8
133.02812	0.9
135.02910	28.1
137.02350	0.8
143.03410	1.1
147.46367	0.4
161.02371	0.4
161.04497	0.6
170.28136	0.4
171.10211	1.8
173.04509	1.4
175.02449	4.5
179.05559	0.7
191.05571	6.5
193.12375	0.5
197.11739	0.8
201.11287	4.5
203.05533	0.5
209.11783	5.9
221.11865	0.4
222.95204	0.4
227.12895	0.7
235.08272	1.0
239.12860	3.6
247.04584	3.1
277.21799	7.9
283.13403	0.7
285.13580	0.6
309.69781	0.5
342.68985	0.4
379.12534	1.3
397.13559	8.0
415.14798	1.6
675.36340	0.8
757.69476	0.5
847.47504	0.5
859.47565	0.6
867.45343	1.4
885.47443	2.2
886.45801	0.6
897.50018	0.6
923.46198	0.5
925.48834	0.7
941.48163	1.5
943.49542	2.4
944.49799	0.9
1001.99750	0.4
1059.51501	3.0
1060.51990	0.5
1077.52136	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	1079.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01295	0.4
85.02839	0.6
87.00808	0.3
93.03353	0.3
107.01284	1.0
108.02081	0.9
109.02880	0.4
121.02883	0.3
148.01590	0.8
151.00285	5.4
163.00322	0.7
164.01025	0.3
169.01390	0.5
178.99771	3.8
183.04456	0.3
189.70901	0.2
191.05554	9.0
192.05939	0.3
199.03998	0.5
203.03526	0.3
206.51257	0.2
213.01756	0.2
215.03484	0.5
216.04262	0.2
217.05045	0.2
226.02693	1.0
227.03511	1.4
243.02982	6.9
244.03400	0.6
245.04437	0.3
254.02208	1.7
255.02985	19.6
256.03421	1.3
271.02493	45.2
272.02917	3.8
273.04083	0.4
299.01971	2.5
300.02762	96.2
301.03375	13.2
302.03934	0.5
325.03558	0.3
337.09293	1.8
343.04538	0.5
355.04663	0.2
399.03900	0.2
475.08795	0.2
534.10114	0.2
591.13300	0.2
741.18872	100.0
742.19244	14.2
798.63440	0.3
884.70251	0.2
918.23730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.465
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03865	0.3
93.03349	0.4
95.19054	0.1
98.15617	0.1
98.19846	0.2
121.02846	100.0
122.03172	2.5
125.02361	0.1
128.03433	0.2
143.04501	0.2
180.05719	1.1
181.06516	7.2
182.06792	0.4
191.05431	0.1
197.05963	0.2
209.04469	0.4
209.11790	2.4
210.12050	0.2
211.07616	0.2
219.25107	0.1
225.05521	10.2
226.05826	0.5
227.12854	0.4
231.30612	0.1
269.08212	0.5
295.74258	0.1
306.07639	0.7
313.07175	25.4
314.07584	1.5
357.06143	7.3
357.09766	0.1
358.06390	0.5
401.08752	97.7
402.09094	7.1
548.40192	0.2
791.57758	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	111.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	15.5
59.86777	1.5
61.34162	1.7
65.03844	5.3
67.01763	17.0
69.03324	4.5
71.01259	2.7
71.32382	1.5
78.95781	100.0
81.03332	35.5
83.01261	21.7
83.04902	72.7
84.05253	4.5
93.03341	47.8
98.20561	3.1
109.02831	4.2
110.97529	3.3
110.98401	3.4
111.00766	34.7
111.01910	2.3
111.04398	30.6
112.01073	2.1
114.41077	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	1117.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95608	10.9
80.96394	0.4
95.95107	2.0
95.95700	0.1
96.95891	77.5
97.95801	0.2
109.02832	0.1
110.97462	10.5
121.02857	0.4
122.97481	0.4
135.04428	0.2
138.96944	0.1
141.95651	0.2
145.02902	0.1
149.02388	0.1
150.03125	0.1
177.05457	0.1
179.07019	0.2
180.07880	0.4
200.78755	0.1
208.07367	0.2
220.07451	0.1
221.08044	0.1
223.09680	0.8
226.08353	0.2
240.04132	0.1
245.01218	0.1
253.08659	0.2
259.02771	0.3
260.03613	1.4
261.04285	0.2
269.08179	3.0
270.08627	0.2
271.09793	0.2
273.04385	0.4
274.04977	0.1
281.08289	0.5
283.09827	0.6
285.04492	0.2
287.05963	0.1
295.09689	0.3
296.10611	0.2
298.08502	0.2
298.11862	0.1
299.09250	2.5
300.09836	0.4
301.10788	0.2
309.11423	0.2
310.12091	0.2
311.09268	1.4
313.10910	0.4
314.11603	6.2
315.12204	1.0
325.10733	0.2
326.11548	1.8
327.12088	0.4
328.12930	0.1
329.13931	4.4
330.14255	0.3
341.13870	1.6
342.14169	0.1
359.15051	0.4
376.06232	0.2
379.04907	0.3
381.06488	0.1
390.08020	0.2
393.06506	0.4
394.07257	4.7
395.07846	0.5
396.08743	0.2
406.07513	0.6
407.07660	0.1
408.08844	0.3
409.09604	17.3
410.09940	1.1
421.09631	3.2
422.09869	0.3
424.08246	0.3
439.10648	100.0
440.10974	6.7
527.28351	0.1
785.09235	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	113.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	10.5
57.03052	1.8
57.03328	33.9
67.01762	2.0
69.03335	4.6
70.60678	1.5
70.60976	1.7
71.01256	8.7
72.00787	1.0
72.99161	2.0
74.63887	0.9
83.01266	5.1
84.02044	17.2
85.02827	100.0
86.02322	1.2
86.03168	5.8
86.44451	0.9
95.01271	3.2
98.20467	1.1
113.02338	31.2
114.01868	1.8
114.02642	1.5
114.05463	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	1139.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
85.75375	0.2
104.62386	0.2
121.02848	100.0
122.03162	2.2
133.10986	0.2
165.53453	0.2
180.05739	1.2
181.06514	6.9
182.06808	0.3
191.05450	0.2
197.06137	0.2
209.04395	0.4
209.11743	1.1
225.05530	9.2
226.05847	0.5
232.59531	0.2
269.08157	0.5
313.07190	23.3
314.07440	1.2
348.47714	0.2
357.06171	5.6
358.06192	0.4
401.08768	74.5
402.09113	5.0
452.50467	0.2
495.66885	0.2
1139.49109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27704	1.9
52.57920	1.7
53.97003	2.1
59.01252	42.5
61.80694	2.3
69.03329	2.1
70.66590	3.6
70.66926	5.0
71.01257	100.0
71.04901	27.9
72.99191	7.2
73.02807	2.6
73.03944	28.0
74.02351	4.9
75.96729	1.8
83.79469	2.2
85.02821	2.5
87.00758	29.2
89.01345	6.8
97.02826	4.0
97.23466	2.1
107.40849	2.0
114.93278	3.5
115.00268	22.2
115.03899	34.2
115.07557	2.5
116.02431	11.9
116.07064	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	58.5
69.99876	7.4
70.61938	5.4
71.01260	100.0
71.04894	18.6
72.01563	6.9
73.03944	21.2
87.00775	35.4
115.00276	20.9
115.02792	6.4
115.03896	21.2
116.02438	12.6
116.07069	23.5
133.56696	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.6
59.01249	11.6
60.89980	1.7
61.63847	1.5
68.84437	1.6
71.01250	17.3
71.04904	2.0
71.08819	3.7
73.02821	100.0
74.02327	2.5
74.03154	3.4
87.00745	4.5
99.00755	11.7
102.91862	1.8
116.92732	2.1
117.01860	13.0
118.02898	5.6
118.03974	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.6
59.01245	1.1
70.10023	2.0
71.01255	1.3
73.02822	100.0
74.03172	2.9
83.76046	0.5
83.92981	0.5
84.33672	0.5
91.02850	0.5
92.95155	0.5
97.75874	0.5
99.00758	7.9
99.92470	0.8
116.92744	2.6
117.01823	13.5
118.02921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1170.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04482	0.4
82.02847	1.0
86.02348	2.6
86.05965	0.4
86.13197	0.3
86.98982	0.8
87.05524	1.3
87.73727	0.3
88.03899	0.3
90.00057	0.7
95.02384	0.4
96.04366	0.4
96.95895	0.6
97.03959	1.1
98.20083	0.8
99.05521	6.4
99.06121	0.5
101.07074	0.9
102.05467	1.1
102.24410	0.3
107.06011	0.5
108.51669	0.3
109.03976	1.9
109.30610	0.3
111.05521	0.7
112.03928	0.5
116.01653	0.6
123.05540	0.8
124.03928	0.6
125.03465	1.0
126.01866	0.3
127.05015	1.5
128.03432	21.3
129.03745	0.4
131.04466	0.3
135.05537	2.4
137.07101	0.5
141.06581	2.0
143.04530	26.8
144.01091	0.3
144.04869	0.4
145.06073	1.7
146.04495	3.1
149.07111	0.5
153.06607	1.9
155.08195	0.3
160.00656	8.0
166.09764	1.0
167.04498	2.3
167.08171	1.5
170.03223	0.3
171.07693	0.5
177.03310	2.6
179.04547	6.9
181.06058	0.6
184.10767	0.4
185.05565	1.0
192.07709	0.9
197.05617	0.9
209.11790	0.5
210.08791	6.8
216.92957	0.3
228.09837	0.4
242.07803	0.8
254.07808	9.3
265.14844	0.5
272.08868	14.5
273.09290	0.5
288.06583	5.6
289.07190	0.3
306.07657	100.0
307.07932	3.8
534.55695	0.3
547.85559	0.3
998.57953	0.3
1152.57373	1.2
1170.58496	10.8
1171.58618	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	2.7
55.01763	1.0
58.00461	0.8
59.01258	10.0
64.01803	1.7
64.88767	0.6
65.01321	9.9
65.99728	7.6
66.00848	1.2
68.01283	2.8
68.48483	0.8
69.24413	3.1
69.24837	2.9
71.01268	5.9
72.17416	0.8
72.99186	2.2
73.02824	2.4
77.01327	3.6
79.02902	1.0
81.97972	0.7
91.02891	5.7
91.05415	2.9
92.01285	5.1
92.02419	3.8
93.00829	4.4
93.03362	4.1
97.07426	0.7
98.19711	1.4
101.02345	0.8
101.46601	0.6
104.02449	0.7
117.03364	1.5
118.03997	2.2
118.92545	1.2
119.02447	15.2
119.03444	4.4
119.04912	100.0
120.01936	12.1
120.02823	0.9
120.03225	1.1
120.04378	1.4
120.05581	32.9
132.15791	0.7
136.31996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00237	3.1
54.72712	0.7
59.01256	4.1
61.58894	0.6
62.09349	0.6
64.01801	1.1
65.01325	12.7
65.99725	6.7
66.00849	1.0
66.85284	0.6
67.93785	0.6
68.01291	2.1
68.99672	0.6
69.75030	2.7
71.01260	2.4
72.99171	0.6
73.02821	1.4
74.87419	0.6
77.01327	3.3
79.02909	0.7
91.02904	4.5
91.05414	1.1
92.01310	3.7
92.02441	3.6
92.03248	0.9
93.00837	4.2
93.03348	4.1
97.14030	0.6
101.02332	1.0
104.02472	0.9
105.03217	1.2
117.03386	0.7
118.04022	2.4
118.92559	0.9
119.02419	16.3
119.03467	6.0
119.04918	100.0
120.01942	13.6
120.04375	1.8
120.05588	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	3.5
58.63764	0.6
59.01242	2.5
62.50046	0.6
64.01797	2.0
65.01317	12.0
65.99724	8.5
66.00817	0.7
67.94771	0.7
68.01303	3.0
69.94320	2.4
71.01235	1.1
72.99191	1.5
73.02802	0.9
75.70925	0.7
77.01329	3.8
84.46496	0.8
89.03160	0.7
90.00848	0.7
91.02894	5.0
91.05433	1.5
92.01295	6.2
92.02415	2.8
93.00812	4.7
93.03329	4.7
93.04540	0.6
98.20405	1.0
117.03384	0.8
118.03996	2.4
118.92598	1.2
119.02445	15.5
119.03464	4.1
119.04908	100.0
120.01936	12.6
120.02762	1.3
120.05578	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	4.5
53.20519	0.8
59.01248	3.0
62.22491	0.8
63.81598	0.8
64.01795	2.6
65.01320	15.2
65.59177	0.8
65.99724	10.5
68.01298	2.5
71.01264	1.5
71.54472	1.0
72.99183	1.6
73.02814	1.5
77.01331	5.8
79.02905	1.0
86.01540	0.8
91.02901	6.5
91.05418	1.6
92.01298	8.1
92.02425	3.6
92.03217	0.9
93.00813	5.3
93.03347	4.7
97.77546	0.9
101.09825	0.9
104.02426	1.0
105.03187	1.2
117.03233	0.8
118.04006	3.1
119.02413	21.2
119.03429	5.4
119.04912	100.0
120.01938	17.2
120.05580	49.3
122.15310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	4.0
59.01252	4.2
64.01809	2.1
65.01320	17.2
65.99722	11.1
68.01299	2.4
69.85037	1.0
70.92224	2.5
71.01262	3.8
72.99167	1.3
73.02820	3.0
77.01334	3.7
85.51453	1.0
89.56547	1.1
91.02894	5.9
91.05383	1.4
92.01294	7.6
92.02418	5.0
93.00845	5.9
93.03333	5.4
104.02427	1.2
112.65652	1.1
118.04005	4.1
118.92619	1.3
119.02409	21.5
119.03436	8.3
119.04911	100.0
120.01943	21.3
120.03250	1.6
120.04377	1.9
120.05588	51.3
138.44829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1192.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04413	0.3
86.02358	3.0
86.05991	0.6
86.98970	0.7
87.05508	1.4
88.03916	0.4
90.00069	1.0
93.69802	0.2
97.03960	0.9
99.05519	6.7
100.00285	0.2
101.07094	1.3
102.05490	1.5
107.06054	0.4
109.03960	1.5
109.07610	0.5
111.05534	0.8
112.03957	0.8
116.01651	0.8
121.03954	0.2
122.45610	0.2
123.05542	0.6
124.03948	0.6
124.07559	0.3
125.02321	0.4
125.03442	0.9
127.05035	1.6
128.03432	21.5
129.99596	0.4
135.05527	2.4
137.02341	0.3
137.07100	0.5
141.06593	1.7
143.04530	27.6
144.01170	0.2
144.04878	0.5
145.06090	1.1
145.07057	0.2
146.04488	3.0
149.07118	0.3
153.06621	2.2
155.08165	0.4
160.00653	8.3
164.08147	0.2
166.09769	1.4
167.04567	2.2
167.08209	1.6
169.05936	0.3
170.03278	0.4
171.04012	0.6
171.07724	0.5
177.01846	0.9
177.03323	3.0
179.04547	7.0
181.06125	1.0
183.19131	0.2
184.10822	0.3
185.05621	0.9
191.05534	0.7
192.07742	0.8
197.05658	1.1
198.08784	0.5
198.51770	0.2
209.11867	0.6
210.08780	7.6
213.03319	0.3
228.09814	0.5
242.07843	0.7
254.07808	8.4
272.08884	14.4
273.09186	0.5
288.06601	5.3
301.62994	0.2
305.06549	0.4
306.07654	100.0
307.07950	4.0
969.68280	0.2
1006.48859	0.4
1174.54749	0.5
1192.56946	9.0
1193.56848	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	1192.5704
Annotation	Unknow
Peak:m/z	Relative Intensity
85.03951	0.4
86.02355	2.5
86.05980	0.6
86.98980	1.0
87.05522	1.8
90.00063	0.8
95.02412	0.3
97.03955	1.1
99.04929	0.6
99.05521	6.6
100.00269	0.3
101.07088	1.0
102.05482	1.2
107.06023	0.3
109.03955	1.6
109.29262	0.3
111.05531	0.8
112.03945	0.6
113.03451	0.4
116.01660	0.8
123.05507	0.6
124.03945	0.5
124.99854	0.3
125.02345	1.1
125.03450	1.0
127.05013	1.4
128.03426	22.0
129.99619	0.4
135.05533	2.1
137.07071	0.7
141.06601	1.9
143.04526	28.1
144.04858	0.5
145.06081	1.2
146.04501	2.2
153.06618	1.5
160.00652	7.7
165.83577	0.3
166.09775	1.3
167.04512	2.5
167.08153	1.1
170.03273	0.8
171.03970	0.4
171.07738	0.5
177.01843	1.5
177.03314	3.0
179.04549	7.0
180.04837	0.3
181.06073	0.8
182.32671	0.3
184.10898	0.7
185.05600	1.5
191.05579	0.6
192.07796	0.6
197.05637	0.9
209.11703	0.4
210.08800	8.0
213.03172	0.4
228.09920	0.5
242.07788	0.6
254.07803	8.4
272.08884	14.8
273.09210	0.5
288.06613	5.5
288.53552	0.3
305.06641	1.2
306.07651	100.0
307.07916	3.8
314.74725	0.3
469.88391	0.3
796.73816	0.3
1006.50250	0.5
1174.56555	0.7
1192.56018	5.4
1193.56738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71681	0.4
60.53788	0.4
64.01798	0.6
65.01316	4.2
65.99721	2.6
66.00858	0.6
66.03359	2.7
67.02878	1.7
68.01289	0.7
70.65711	0.4
70.83469	0.7
71.24097	0.4
77.01304	0.5
79.01646	1.2
79.02892	7.9
80.01275	1.2
82.01600	4.5
91.01772	1.2
91.02908	1.4
92.02429	1.7
93.03341	4.6
94.02867	20.1
95.01270	1.2
95.02397	4.0
96.24122	0.4
96.24838	0.4
103.02918	0.7
106.00368	0.6
106.01591	0.9
108.02062	3.6
120.01947	1.5
121.02847	100.0
121.03900	5.5
121.05104	6.9
121.05910	1.7
122.02374	12.8
122.03429	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	125.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.4
65.01320	2.7
65.99726	7.6
67.01749	2.0
67.02888	2.7
68.01293	1.1
69.03326	23.0
69.49496	5.0
70.03646	1.2
71.01256	1.0
79.01764	2.3
79.05434	0.8
81.03325	5.9
82.02856	3.0
83.01275	4.0
83.02383	7.5
83.04893	1.2
84.00751	0.8
90.86471	0.7
95.01260	3.0
95.02375	0.9
96.99194	4.1
97.01682	0.7
97.02828	18.1
97.03397	1.1
97.03910	1.1
97.06461	2.4
98.02375	1.3
98.03143	0.8
98.20567	1.3
99.59930	0.7
107.01285	1.4
107.04913	17.4
108.02046	1.1
108.05239	1.1
109.02852	2.1
123.00768	1.9
124.01523	2.8
124.98701	2.6
125.02344	100.0
125.05981	25.0
126.01824	1.8
126.02754	6.1
126.06306	1.5
142.02640	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	129.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99438	4.7
55.01762	25.9
57.03338	57.6
58.02845	6.4
59.01268	7.6
59.80706	4.4
66.23019	4.6
67.01770	84.5
68.99696	36.6
69.69224	4.3
71.01262	24.7
71.04866	6.8
71.53040	4.3
72.99194	23.6
73.02811	18.8
83.01229	5.3
83.04908	6.8
83.99109	4.8
85.02831	100.0
87.00764	14.0
88.03919	44.7
96.99199	9.0
99.00762	13.5
101.02355	12.8
111.00753	5.9
129.01851	51.3
129.03801	5.8
129.05466	10.4
130.03987	21.7
130.04865	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	136.0522
Annotation	Isoniazid
Peak:m/z	Relative Intensity
50.85611	0.4
65.01317	1.5
65.03851	2.5
65.99717	1.0
66.00839	0.4
66.03341	0.7
67.01750	0.4
67.02887	1.2
67.24445	0.4
68.01266	0.5
68.45321	0.4
69.42706	2.9
78.95746	0.6
81.03343	0.7
92.04946	1.0
93.03345	100.0
94.02896	0.5
95.02371	0.8
96.03195	1.0
106.03983	2.0
108.02057	2.2
108.04499	0.5
109.02857	3.6
109.03983	1.4
116.57762	0.4
118.04036	0.6
122.03634	2.4
135.04474	3.7
136.01605	2.6
136.05214	48.4
137.02357	20.0
137.03311	0.8
137.05495	3.9
141.77910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
57.41433	0.4
62.27835	0.5
65.03835	3.4
70.29778	0.6
93.03334	100.0
94.03668	5.8
108.02059	0.4
109.02821	0.8
137.02348	9.5
138.01779	0.6
138.02718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30545	0.7
55.01771	4.0
57.03333	1.0
67.01759	6.0
68.99680	2.3
69.03326	1.6
69.42709	3.6
81.03329	1.0
82.03983	2.2
83.01272	2.4
83.02390	2.5
93.03348	2.4
95.01284	1.2
95.04925	1.5
96.00829	1.0
96.04454	0.9
97.03943	2.0
97.06480	1.1
111.00773	20.8
111.04420	1.1
111.08045	0.8
112.01109	1.6
123.04399	9.1
124.01572	2.0
139.00273	8.7
139.03937	14.7
139.07547	100.0
139.39101	0.7
140.01105	0.9
140.02454	2.0
140.03369	1.0
140.04308	1.2
140.07892	6.9
156.04204	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	141.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	11.5
57.03321	14.8
59.01252	6.3
67.01762	16.7
68.30428	3.9
68.75843	3.9
68.99702	20.6
69.03333	55.0
70.02856	11.6
70.03664	3.9
71.01266	43.4
73.02829	9.2
79.01750	5.3
83.01258	6.1
85.02829	55.1
91.27937	3.9
95.01269	100.0
97.02848	25.0
99.00775	45.4
111.00742	9.7
112.98689	9.8
113.02340	23.9
123.00787	67.6
124.01057	5.2
125.89349	4.0
140.98196	4.7
141.01852	94.0
142.02254	5.1
142.05016	4.0
145.21196	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	142.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00197	28.9
55.01794	3.6
58.00473	17.3
59.01250	11.0
68.99696	11.3
69.03345	8.9
69.20646	21.0
69.21066	12.2
71.01266	53.8
71.04906	9.7
71.16690	3.4
72.99188	4.8
73.02831	4.9
73.48350	3.2
75.85896	3.3
80.99690	6.0
81.03346	8.2
82.02867	4.2
84.02053	3.3
84.78829	2.9
85.02820	8.0
87.00762	15.4
93.73875	4.2
96.99199	37.1
97.02863	3.1
99.04408	24.7
112.98711	35.2
115.00285	8.7
120.12554	3.4
124.98711	81.5
125.08798	3.5
125.99084	4.0
126.34352	3.0
127.19490	2.9
140.98212	11.3
142.99780	100.0
143.03438	5.6
144.00160	6.2
144.06569	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	142.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	23.3
55.01755	1.9
56.00107	0.9
56.99707	1.0
57.68788	0.9
57.86898	1.0
58.00473	13.2
59.01259	7.9
68.99706	8.2
69.03336	8.7
70.68604	1.8
71.01257	60.6
71.04897	11.4
72.01588	2.1
72.99197	4.9
73.02817	4.7
78.42854	0.8
80.99693	6.1
81.03329	9.8
81.29096	0.9
83.01250	3.5
84.02041	3.4
85.02820	9.0
87.00760	15.4
87.04408	2.6
96.99200	33.0
97.02830	4.4
97.99557	1.4
99.00771	2.8
99.04402	25.2
100.04726	1.5
101.02322	1.1
112.98700	34.4
113.02350	1.0
113.99043	2.3
115.00259	7.8
115.03887	1.8
121.22888	0.9
124.98708	71.0
125.02344	5.1
125.27995	1.0
125.99054	2.9
126.05489	2.1
137.46693	0.8
140.98212	10.0
142.05026	1.3
142.99774	100.0
143.03419	6.0
143.10675	2.5
144.00105	6.0
144.04491	1.7
144.06566	14.8
158.99289	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	143.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00193	25.8
55.01755	3.2
57.03302	2.9
58.00465	16.0
59.01258	10.2
68.99696	17.7
69.03330	14.5
71.01255	72.8
71.04893	10.6
71.23975	1.4
72.99190	5.7
73.02822	10.0
74.02343	1.9
80.99696	5.5
81.03332	10.7
82.02864	12.5
83.01270	9.0
84.02049	3.9
85.02346	1.7
85.02831	23.1
87.00753	21.3
87.04391	1.7
93.68964	1.0
94.55539	1.1
96.99197	29.4
97.02835	9.0
97.99567	1.7
99.00772	5.9
99.04400	27.1
101.02321	4.1
112.98694	39.9
113.02347	1.9
113.98997	2.2
115.00288	5.6
115.03916	2.8
124.98704	67.8
125.02339	9.6
125.99031	3.9
130.97606	1.0
140.98216	9.4
142.99767	100.0
143.03424	9.7
144.00110	5.1
144.02902	1.7
144.04463	3.1
144.06570	5.7
158.99333	2.8
159.99730	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	143.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00193	25.8
55.01755	3.2
57.03302	2.9
58.00465	16.0
59.01258	10.2
68.99696	17.7
69.03330	14.5
71.01255	72.8
71.04893	10.6
71.23975	1.4
72.99190	5.7
73.02822	10.0
74.02343	1.9
80.99696	5.5
81.03332	10.7
82.02864	12.5
83.01270	9.0
84.02049	3.9
85.02346	1.7
85.02831	23.1
87.00753	21.3
87.04391	1.7
93.68964	1.0
94.55539	1.1
96.99197	29.4
97.02835	9.0
97.99567	1.7
99.00772	5.9
99.04400	27.1
101.02321	4.1
112.98694	39.9
113.02347	1.9
113.98997	2.2
115.00288	5.6
115.03916	2.8
124.98704	67.8
125.02339	9.6
125.99031	3.9
130.97606	1.0
140.98216	9.4
142.99767	100.0
143.03424	9.7
144.00110	5.1
144.02902	1.7
144.04463	3.1
144.06570	5.7
158.99333	2.8
159.99730	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	146.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73441	1.1
57.03328	9.9
57.12488	1.0
58.00452	1.0
59.01250	9.6
70.65641	2.3
71.01257	6.9
71.04887	4.5
72.99178	3.3
73.02823	1.3
74.02331	1.2
75.00752	4.1
84.04415	1.5
85.02825	26.1
87.00754	34.7
91.16295	1.0
95.77317	1.0
99.00768	2.0
101.02334	2.5
101.05959	6.4
102.05495	100.0
103.03895	4.0
103.05820	5.2
109.71210	0.9
118.02908	2.5
119.04917	1.1
128.03442	35.2
129.01837	8.5
129.03708	1.6
146.02414	3.3
146.04491	11.6
147.01892	1.6
147.02890	9.3
147.04514	1.8
147.06570	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	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	65.0
61.95131	3.4
63.83686	3.6
69.03339	11.0
70.44740	11.8
71.01257	42.3
72.99182	21.1
73.02831	35.6
74.31041	4.1
75.00747	86.1
78.10610	4.4
84.19984	4.3
85.02817	13.0
87.00750	22.1
89.02322	100.0
90.02664	4.6
103.03932	7.2
121.02852	17.5
123.04446	4.6
128.40384	4.6
131.03383	23.9
149.02394	7.9
149.04474	63.4
149.05748	8.3
150.05585	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
64.01803	0.6
65.01319	3.8
65.99725	3.2
67.02870	2.2
69.03316	2.6
71.01257	37.8
71.54303	0.9
72.01566	1.5
72.99207	1.3
73.02819	15.7
79.02875	0.7
81.04462	0.9
85.02823	1.3
87.00753	11.8
89.02319	100.0
90.02679	3.2
91.02909	0.9
92.02417	0.7
93.03357	1.0
94.02869	1.0
95.01251	0.6
95.04922	0.9
101.02319	2.0
103.03893	5.0
106.03984	2.1
107.02386	1.8
108.01942	1.2
108.04413	1.1
109.03928	1.1
120.01923	1.1
121.02846	8.9
122.02385	0.7
122.03514	2.4
123.01893	1.5
123.04367	0.8
131.03394	8.7
132.03725	0.9
134.03619	1.2
149.02351	4.6
149.03505	1.6
149.04478	27.4
149.05919	2.8
150.00142	1.2
150.01851	1.1
150.02971	2.8
150.04750	1.1
150.06572	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	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75435	0.8
59.01245	2.1
63.02267	0.9
63.23708	0.8
65.00220	0.7
65.01318	3.9
65.99737	4.3
67.01782	1.2
67.02881	4.0
67.62831	0.7
68.01273	1.2
69.03336	1.2
71.01255	5.9
71.24996	1.7
73.02811	1.4
79.01741	1.4
79.02909	1.0
81.03332	1.7
83.02384	0.8
85.02843	1.0
89.02306	3.8
91.02896	0.8
92.28809	0.8
93.03367	3.9
94.02888	1.2
95.01260	4.4
95.02386	1.5
95.04913	1.6
100.16824	0.8
100.92249	0.7
101.02331	3.6
105.03365	0.9
106.03983	0.9
107.01303	1.1
107.04910	9.0
108.02052	9.7
108.04453	1.8
108.05571	1.3
109.02833	3.2
109.03966	2.2
120.01974	1.3
121.02844	5.6
122.02339	1.1
122.03719	5.7
123.00773	7.7
123.01882	4.7
123.04418	17.6
124.01595	1.7
136.01563	68.3
137.02351	2.3
139.03897	3.2
149.02361	9.1
150.00081	2.4
150.03130	100.0
150.05556	2.5
151.00308	2.9
151.03941	34.2
151.05969	2.0
151.07491	1.7
154.02649	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	151.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01690	0.5
56.00376	0.2
57.03271	0.6
58.02813	0.3
59.01180	1.9
60.83949	0.2
63.02214	0.6
63.63074	0.3
65.00142	0.5
65.01251	1.3
65.99650	1.2
66.00791	0.6
66.03290	1.7
67.01711	0.7
67.02818	2.6
68.01216	1.3
68.99640	0.4
69.03280	0.5
69.45149	1.6
71.01250	2.8
72.04414	2.8
73.02760	0.6
79.01701	1.0
79.05343	0.3
79.95571	0.3
80.02528	0.4
80.04871	0.4
80.96351	0.6
81.03333	1.9
81.04447	1.6
82.02857	1.4
82.03925	0.9
83.01222	0.6
83.02338	0.8
84.04375	0.2
85.02762	0.4
88.60116	0.3
89.02320	1.6
91.02832	0.4
93.03336	2.3
95.01266	2.1
95.02349	0.4
95.04866	0.9
95.05949	0.3
96.95869	0.2
97.02728	0.3
97.03907	0.5
97.71642	0.3
99.01830	0.3
101.02319	1.8
106.03961	0.8
107.01221	0.6
107.04916	7.2
108.02054	6.7
108.04436	1.7
108.05548	0.3
109.00298	0.3
109.02854	4.5
109.03960	4.2
109.06477	2.9
109.99071	1.3
110.02334	1.0
110.03524	1.3
110.04162	0.3
111.00750	0.3
111.01861	0.5
121.02831	0.6
121.06465	0.6
122.03626	2.8
123.00795	2.2
123.04424	10.7
123.05393	0.5
123.08015	0.5
124.01497	0.9
124.03910	0.7
124.04921	0.8
125.02404	0.5
125.03472	1.0
125.05977	14.5
126.06302	0.9
133.06441	0.5
134.03485	1.1
135.04416	5.8
136.01570	34.8
136.05199	57.3
137.02403	3.0
137.05539	4.2
149.02374	0.3
149.05994	0.3
150.03172	1.0
150.06763	2.8
151.00352	0.9
151.03947	19.0
151.07552	100.0
152.00116	1.0
152.01094	1.0
152.03459	2.2
152.04562	3.0
152.07910	9.7
160.44989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92125	0.3
55.01735	0.6
57.03320	0.6
59.01258	0.7
65.03822	0.5
65.99720	0.5
68.99675	0.5
69.03338	2.5
69.32542	2.8
70.63060	0.3
71.01253	2.1
81.03339	2.4
82.02853	0.8
82.25414	0.4
83.01254	0.6
83.04900	1.6
85.02817	1.2
91.01748	0.7
93.03365	0.5
94.04150	0.3
95.01308	0.4
95.04893	1.9
95.76685	0.4
97.02832	8.6
99.04436	0.6
105.07011	1.0
107.04908	1.5
108.02049	4.9
108.05708	2.4
109.02842	53.9
109.06482	12.2
109.99992	3.1
110.03155	3.8
110.06824	0.8
111.04415	1.6
111.05531	0.5
111.08047	1.6
112.03916	0.4
113.05982	3.2
114.07482	0.4
121.06488	0.5
122.03629	100.0
123.00824	0.7
123.03864	5.5
123.08051	6.0
124.01557	0.7
124.03956	0.7
124.08361	0.4
125.02340	1.6
125.03246	0.4
125.05984	2.7
125.09641	0.8
127.03893	0.4
135.04398	1.0
135.08092	2.2
136.04118	0.7
136.05202	15.9
137.05994	28.1
137.99492	3.0
138.06773	75.7
139.07611	7.5
140.07915	0.8
149.06056	0.4
151.00244	0.4
151.03961	2.7
151.07559	43.6
152.04758	2.3
152.08347	26.5
153.01851	12.7
153.03082	0.6
153.05536	2.0
153.09157	9.2
154.02284	0.6
154.09483	0.5
167.07097	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	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
56.11168	0.5
59.25742	0.5
59.39260	0.4
61.98692	0.5
65.00196	1.1
65.03811	0.9
66.03356	1.2
67.82764	0.4
67.93005	0.5
68.99694	1.3
69.03304	2.0
71.01266	0.5
71.04892	0.8
72.99191	0.6
77.23705	0.5
81.03332	4.1
82.02866	1.4
83.01257	1.1
83.04926	0.5
86.49330	0.5
90.51173	0.4
91.01792	1.5
93.65159	0.4
96.99247	0.5
97.02830	0.9
97.06465	11.3
98.02350	0.6
98.06731	0.5
99.08038	3.1
100.08378	0.5
107.04881	0.6
108.02053	9.1
109.02838	100.0
109.06464	2.4
109.99976	8.8
110.02434	0.7
110.03155	6.5
111.04391	0.8
112.03918	0.5
123.00752	1.1
123.04413	2.0
124.01578	1.1
124.03905	1.9
124.98622	0.5
125.02357	4.8
125.05974	0.6
125.09602	1.2
135.04410	1.0
137.09608	1.4
137.99481	10.6
138.03062	0.6
138.99809	0.8
147.85065	0.5
151.00264	1.5
151.11218	1.3
153.01843	26.3
153.05452	2.8
153.12755	34.9
154.02217	1.5
154.04984	1.4
154.13144	3.2
162.18947	0.5
165.85594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0342
Annotation	Deoxypatulinic acid
Peak:m/z	Relative Intensity
55.01760	7.1
59.01264	0.6
59.45127	0.3
65.03841	3.2
67.01750	0.7
69.03310	0.4
69.23576	0.3
70.60671	0.8
71.01255	1.3
75.02276	1.8
81.03333	5.7
83.01252	3.4
83.04900	11.3
84.05228	0.4
84.64265	0.4
85.02806	0.4
93.03342	100.0
94.03672	5.5
95.01260	0.6
107.54131	0.3
109.00901	0.3
109.02831	0.9
111.00776	0.8
111.04407	8.3
114.05495	0.6
127.00246	1.0
137.02351	6.2
138.02654	0.4
154.99756	2.9
155.03455	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	155.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	7.1
59.01264	0.6
59.45127	0.3
65.03841	3.2
67.01750	0.7
69.03310	0.4
69.23576	0.3
70.60671	0.8
71.01255	1.3
75.02276	1.8
81.03333	5.7
83.01252	3.4
83.04900	11.3
84.05228	0.4
84.64265	0.4
85.02806	0.4
93.03342	100.0
94.03672	5.5
95.01260	0.6
107.54131	0.3
109.00901	0.3
109.02831	0.9
111.00776	0.8
111.04407	8.3
114.05495	0.6
127.00246	1.0
137.02351	6.2
138.02654	0.4
154.99756	2.9
155.03455	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.8
59.01244	1.5
65.03822	1.8
67.01749	1.3
69.03323	1.6
69.22489	12.2
71.01253	3.1
73.02804	8.3
74.00174	1.6
74.02380	1.4
81.03352	7.2
81.46522	1.4
83.01244	3.1
83.04897	17.3
84.04408	4.0
85.02823	2.1
85.23095	1.3
86.02343	1.5
93.03335	100.0
94.03674	4.8
95.01249	2.0
96.00797	2.9
101.01405	1.5
103.71743	1.2
109.02785	1.7
110.76145	1.2
111.00736	2.0
111.03247	1.6
111.04410	14.0
111.08057	1.5
114.05499	7.3
122.73170	1.2
127.00237	3.1
137.02383	7.8
137.09596	3.5
140.01030	2.9
154.99834	2.3
155.03546	14.1
155.10683	71.3
156.05551	4.8
156.11009	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.4
57.03302	1.2
58.02845	1.8
58.81697	0.6
59.01236	1.0
60.30711	0.6
61.43531	0.8
65.01305	1.9
65.03827	2.7
69.03349	1.4
70.02866	1.1
71.01233	1.7
73.02833	3.9
74.02341	1.1
75.02335	0.8
81.03323	5.2
82.02855	0.7
83.01257	1.9
83.04903	14.3
84.04433	2.7
84.05201	0.8
85.02821	1.3
86.15340	0.7
93.03339	100.0
94.03130	0.6
94.03647	5.3
95.01276	1.0
96.00796	1.7
97.02811	0.9
98.19827	1.8
98.81432	0.7
101.01332	1.5
102.00903	0.9
104.23632	0.7
109.02847	2.5
111.00784	1.7
111.04413	12.4
111.08011	0.9
112.04762	0.7
113.03431	0.7
114.05486	5.4
125.03452	0.8
126.94072	0.7
127.00283	1.6
127.03926	0.9
128.02475	0.8
129.04468	1.7
137.02350	8.1
137.09621	2.0
140.01070	2.3
144.76175	0.7
147.60083	0.7
151.32230	0.6
154.99782	1.6
155.03535	11.6
155.04700	1.4
155.07051	1.1
155.10698	45.9
156.02914	1.1
156.05586	5.8
156.11058	4.3
163.54669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0235
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01760	0.6
56.47412	0.2
57.03323	3.1
58.00469	0.8
59.01249	11.7
60.01593	0.3
64.01794	0.2
65.01323	1.1
65.99715	0.6
66.00817	0.2
69.03319	1.1
71.01254	10.3
72.01603	0.3
72.99181	2.0
73.02818	4.9
75.00752	0.7
75.41775	0.2
77.03818	1.1
80.26834	0.2
81.03336	2.6
83.01258	3.7
84.02032	0.2
85.02822	16.2
86.03175	0.8
87.00735	2.0
87.04412	0.2
89.02323	3.3
89.03836	1.1
89.55582	0.2
91.02898	0.5
92.02437	0.5
95.01324	0.2
95.04919	0.4
97.02823	1.7
99.00745	0.7
99.04367	0.5
99.42310	0.2
101.02346	1.1
104.02572	0.7
105.03352	2.2
106.04061	0.2
107.02386	0.3
113.02346	1.0
115.01773	1.4
115.03911	0.3
117.03367	0.7
118.02885	0.3
118.04044	0.2
120.01947	0.3
121.02716	0.5
121.03968	0.3
123.04437	0.6
125.02329	0.6
129.01836	0.5
131.03406	7.0
131.04396	0.3
132.02071	9.8
132.05408	0.2
133.02850	100.0
134.03192	8.1
135.05539	0.2
143.03415	0.5
154.43576	0.2
159.02898	0.5
160.01527	0.3
161.02356	56.2
161.04381	10.8
162.02769	5.0
162.04678	0.4
162.06674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01247	0.6
65.01328	0.9
65.99724	0.6
72.99171	0.9
75.00751	3.8
82.03970	1.0
85.02821	0.6
91.01782	0.9
92.04934	0.4
93.03326	3.0
100.11884	0.3
101.02348	0.6
119.04919	100.0
120.04408	1.1
120.05237	7.0
121.02814	0.8
121.03979	0.8
121.05075	1.8
122.03473	0.5
134.03575	0.4
135.00734	0.5
135.04449	1.2
136.03998	0.3
136.05031	1.0
137.03468	0.6
163.00305	2.8
163.02510	0.6
163.03911	9.2
163.06046	3.2
164.04468	0.7
164.12984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
65.01328	0.9
65.99724	0.6
72.99171	0.9
75.00751	3.8
82.03970	1.0
85.02821	0.6
91.01782	0.9
92.04934	0.4
93.03326	3.0
100.11884	0.3
101.02348	0.6
119.04919	100.0
120.04408	1.1
120.05237	7.0
121.02814	0.8
121.03979	0.8
121.05075	1.8
122.03473	0.5
134.03575	0.4
135.00734	0.5
135.04449	1.2
136.03998	0.3
136.05031	1.0
137.03468	0.6
163.00305	2.8
163.02510	0.6
163.03911	9.2
163.06046	3.2
164.04468	0.7
164.12984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0397
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01759	5.7
59.01249	9.8
63.94477	0.4
65.00231	0.4
65.01291	0.6
68.99695	0.6
71.01250	6.0
72.99186	6.3
73.02823	1.8
75.00748	100.0
76.01089	1.5
85.02827	0.6
87.00754	40.3
88.01100	0.8
89.02325	2.3
92.99702	1.7
93.03333	1.6
98.20634	1.1
99.00760	3.7
101.02342	2.1
105.01819	29.1
106.02169	0.9
109.02850	1.6
117.01839	2.8
119.04879	0.6
121.02842	7.1
127.95618	0.5
129.01830	8.6
130.02206	0.6
137.02347	2.8
147.02895	4.0
147.04309	0.5
150.03145	1.5
165.01990	3.0
165.03981	39.0
165.05426	3.3
165.09192	0.7
166.02661	0.6
166.04341	1.7
178.06018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80774	0.3
53.40134	0.3
58.02850	100.0
59.02550	0.4
59.03192	1.7
65.00191	0.4
69.03330	1.1
70.02863	0.7
70.28583	0.3
70.28909	0.9
73.77760	0.3
79.01778	0.3
81.03345	0.6
83.77065	0.3
85.02864	0.4
93.92555	0.3
97.02842	1.2
97.06475	0.4
107.04937	0.4
111.71914	0.3
115.15745	0.3
122.89307	0.5
124.04782	0.4
125.02336	11.0
125.06003	0.8
125.09621	0.4
126.01857	0.5
134.06725	0.3
151.00313	0.4
151.11230	0.4
153.01460	1.1
168.03784	0.8
168.13847	7.1
169.01329	3.6
169.05058	1.2
169.12251	0.4
169.14232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallate
Peak:m/z	Relative Intensity
52.01998	0.5
57.03327	9.0
58.02867	0.5
59.01251	1.0
63.02264	2.4
65.00195	12.8
65.01315	0.9
66.00502	0.6
66.03362	1.1
69.03332	1.2
71.01266	0.6
81.03339	6.3
83.01258	34.0
84.01602	1.5
90.00843	0.6
97.02838	2.3
98.02356	1.0
98.19788	1.7
107.01273	19.2
107.04904	0.6
108.01626	1.1
108.95554	0.5
108.99237	0.7
109.73068	0.5
110.02363	2.8
115.02951	1.5
116.02431	1.0
123.00770	0.6
125.02346	30.7
125.05993	1.2
125.09617	1.2
126.02732	1.8
127.05058	0.7
128.03474	0.6
129.03265	1.2
130.02840	0.7
141.01888	1.3
142.04021	4.6
143.03534	1.9
151.00284	100.0
152.00626	6.4
169.01347	61.4
169.05067	6.3
169.08598	1.4
170.01732	3.9
170.04637	1.4
170.05908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	3-exo-hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
57.03326	2.0
59.01249	2.2
60.69687	0.7
61.98696	1.0
65.00186	1.9
67.01765	2.1
68.99688	3.2
69.03327	7.2
71.04877	0.8
71.28068	0.7
79.01779	0.9
80.20292	0.7
81.03342	3.4
83.01273	1.7
83.04892	1.2
85.02814	1.5
87.00767	1.1
95.01257	2.4
95.03659	0.8
95.04935	1.6
96.99216	0.9
97.02846	9.6
97.06474	2.7
98.02353	1.0
98.03152	0.6
99.00779	1.0
99.04401	1.4
99.82862	0.7
107.04901	2.9
109.02835	1.9
110.02413	0.8
110.03624	0.8
113.02259	0.9
122.89311	4.6
123.00778	1.1
123.04422	2.0
124.01559	1.8
125.02339	100.0
125.05931	4.1
125.09602	3.8
125.99471	2.0
126.02660	5.9
127.03883	1.2
141.01825	1.1
151.00276	2.8
151.03963	2.7
151.11200	2.6
153.99010	4.4
154.01498	1.2
154.02736	0.8
169.01340	33.6
169.02805	1.7
169.05045	6.6
169.06287	1.1
169.12253	71.4
170.01648	1.5
170.04523	1.6
170.12579	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	173.0448
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
54.72636	0.8
55.01755	2.6
57.03316	2.8
58.00457	1.7
59.01252	2.1
64.71601	0.8
65.03840	2.7
67.01783	1.6
69.03344	2.3
69.20979	6.1
69.21400	2.1
71.01259	9.7
71.04915	1.5
73.02824	55.8
74.03175	1.7
81.03333	7.0
83.04900	22.1
83.05372	1.5
84.05222	1.4
85.02827	8.4
90.11455	0.8
93.03343	100.0
94.03668	4.4
98.20555	2.0
99.00761	12.7
99.04399	12.3
101.02343	1.0
109.02827	1.8
111.00771	1.5
111.04407	30.4
112.04742	1.5
117.87793	0.9
124.98666	1.9
129.01816	4.4
137.02342	23.2
138.02682	1.5
142.99751	2.0
143.03429	2.9
155.03433	5.8
162.10854	0.8
173.04445	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	173.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.5
65.03830	3.1
66.24648	1.9
70.86366	2.7
70.86690	5.0
71.01249	7.1
73.02824	52.6
75.77955	2.2
80.60162	2.0
81.03336	7.5
83.04893	24.1
85.02837	8.2
93.03341	100.0
94.03670	4.2
96.88525	2.6
98.19920	2.6
99.00780	13.3
99.04397	10.6
108.51519	2.6
111.04419	24.6
129.01804	3.1
137.02342	20.5
143.03313	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	177.0186
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
59.01252	1.8
68.13426	0.8
69.57503	1.9
69.57928	2.9
71.01243	1.8
73.02834	0.8
75.00759	0.9
81.03330	2.1
83.01249	1.1
87.00771	2.0
89.03829	7.6
93.03343	2.4
95.04888	0.9
99.00781	1.2
105.03343	11.8
121.02854	2.1
133.02856	21.6
133.06535	1.5
134.03499	1.4
139.03917	1.1
149.02364	6.0
153.21101	0.8
162.03128	8.0
177.01857	100.0
177.05409	2.5
178.02211	7.1
178.04895	1.3
185.90930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.15253	3.6
59.01236	6.2
61.98679	3.8
64.86030	3.6
66.58276	3.1
67.01774	6.8
70.92365	5.3
70.92706	4.5
83.04907	5.6
88.60412	3.5
95.01278	4.4
97.02800	5.8
111.00729	10.6
111.04411	3.4
112.00320	4.1
112.03923	8.9
112.98432	6.5
121.06487	7.5
122.02299	4.0
123.04362	4.4
124.01533	14.3
124.03942	7.8
127.55892	3.2
137.02286	3.7
139.03918	6.1
139.07576	8.8
139.11214	3.5
140.07106	6.1
141.01764	3.7
164.98254	6.2
165.05435	4.8
168.00572	14.7
183.02928	11.0
183.06606	16.0
183.10181	11.6
183.13837	100.0
184.06053	12.0
184.14128	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	187.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08302	0.5
55.01755	0.8
56.84700	0.5
57.03312	0.7
59.01259	3.2
67.01761	1.7
68.99693	2.8
69.03316	1.7
71.01274	2.9
71.04910	1.9
72.99185	0.8
73.02805	0.8
81.03334	6.7
83.01258	2.9
85.02831	1.1
97.02831	1.8
98.02363	4.9
99.00757	2.2
99.04401	47.2
100.04729	1.1
100.07547	1.2
102.05492	4.6
114.05495	3.1
115.03902	9.3
116.03415	2.3
125.02342	100.0
125.09617	2.2
126.02661	5.8
127.00279	1.0
128.03436	4.9
129.01807	0.5
142.04997	2.3
143.03409	10.4
143.04486	0.6
144.02911	2.5
144.06590	2.1
144.69034	0.6
150.10448	0.5
153.37282	0.6
161.12547	0.6
169.01369	0.7
170.04514	0.7
173.98186	0.5
187.02382	10.0
187.09686	0.8
188.05571	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	187.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55819	1.3
55.01748	5.0
57.03326	2.2
57.68900	1.2
58.02853	2.0
59.01257	11.2
63.35685	1.1
65.00207	1.9
67.01749	2.9
68.99688	4.8
69.03347	2.1
70.88132	2.5
71.01255	29.7
72.99164	1.4
73.02808	2.2
75.00719	1.8
81.03325	5.5
83.01276	4.6
85.02811	3.8
89.02319	5.1
96.99194	2.5
97.02805	2.3
97.06499	3.5
98.02367	1.7
99.00766	12.2
99.04398	46.2
100.07555	4.1
102.05490	14.0
105.37176	1.0
111.00778	2.2
115.03921	7.8
123.07998	1.6
125.02341	100.0
125.09611	24.7
125.99497	1.5
126.02660	5.2
126.10014	1.6
127.00245	6.1
128.03432	11.7
129.01825	1.8
142.99713	1.4
143.03421	6.5
144.06561	3.7
146.04495	1.3
154.99765	1.7
169.01352	2.5
170.04472	3.0
187.02443	12.9
187.03940	2.5
187.06070	2.7
187.07675	2.2
187.09702	11.7
188.03174	2.5
188.05571	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88741	0.2
53.37673	0.2
55.00675	0.2
56.26073	0.3
57.03328	5.8
59.01251	3.3
67.01766	2.2
69.03339	0.7
71.01259	1.7
71.20657	0.5
72.99185	0.3
73.02816	0.7
81.03339	0.6
81.27062	0.2
83.01262	0.4
83.04891	0.6
85.02830	39.6
86.03159	1.4
87.00758	48.1
87.04388	0.2
88.01085	1.1
93.03346	4.5
95.01262	0.3
99.00771	0.3
99.04412	0.8
101.02361	0.9
101.05983	0.9
103.03886	0.3
109.02847	1.1
111.00771	100.0
111.04366	1.4
112.01112	4.5
112.98715	0.3
113.02353	0.4
115.03958	0.3
127.03914	2.4
129.00885	0.3
129.01851	5.4
129.05460	0.4
130.02168	0.3
130.99771	0.8
131.03403	0.7
137.02367	0.3
147.02898	0.5
147.04428	0.3
154.99792	0.9
156.22374	0.2
171.02945	0.7
173.00864	1.7
173.04445	1.4
176.01065	0.4
189.54057	0.2
191.01944	11.2
191.05550	54.2
192.00743	0.2
192.02252	0.7
192.05879	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	191.0344
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03327	0.7
59.01249	0.9
68.31388	0.3
69.03335	0.3
70.10878	0.9
71.01250	0.4
73.02803	0.5
83.04916	0.4
85.02827	7.0
85.03341	0.4
87.00739	3.2
93.03339	2.0
101.02359	0.5
109.02811	0.5
111.00771	4.5
111.04404	0.7
112.01120	0.3
119.04900	1.8
121.02846	100.0
122.03180	6.7
126.75757	0.4
127.03899	1.0
147.04428	7.0
148.04843	0.4
163.03906	0.9
171.02904	0.4
173.04439	0.6
176.01025	0.8
191.03467	7.4
191.05560	21.9
192.03879	0.6
192.05899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64267	0.3
57.03315	1.1
58.00439	0.3
59.01254	4.9
60.65295	0.3
60.99156	0.4
67.01771	1.8
69.03333	1.2
69.72183	1.2
69.72587	0.8
71.01257	2.9
71.32748	0.3
72.99168	0.4
73.02816	1.0
77.71988	0.3
81.03337	1.7
83.04883	1.5
85.02827	34.1
86.03136	0.6
87.00751	6.3
90.15656	0.3
93.03333	11.5
94.03676	0.7
95.01257	0.7
96.02058	0.3
96.85497	0.3
98.19883	0.5
99.00740	0.5
99.04392	1.7
101.02345	0.7
103.42173	0.3
108.02015	0.7
109.02863	2.4
111.04401	3.0
127.03906	4.8
133.05322	0.3
133.67479	0.3
140.96799	0.3
141.02994	0.3
145.93440	0.3
155.03380	0.4
163.00334	0.4
171.02896	1.3
173.04453	2.1
191.05545	100.0
192.05869	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
56.89462	0.2
57.03317	0.4
59.01253	1.4
60.99163	0.3
67.01785	0.3
69.03292	0.2
71.01267	1.0
71.11493	0.4
73.02813	0.3
81.03331	0.5
83.04881	0.5
85.02827	13.4
86.03171	0.3
87.00756	2.6
89.83695	0.2
93.03349	4.0
99.04391	0.5
106.32693	0.2
109.02832	1.2
111.04404	1.6
113.02303	0.2
123.49590	0.2
127.03920	3.1
137.02370	0.4
148.09821	0.2
154.26311	0.2
155.03365	0.3
163.00273	0.5
171.02980	0.7
173.04510	2.1
191.05557	100.0
192.05902	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	191.0554
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
54.66891	0.4
57.03331	1.3
59.01251	6.5
60.01578	0.5
60.99189	0.4
66.58263	0.4
67.01756	2.1
69.03320	1.6
69.96527	1.8
70.40935	0.4
71.01253	4.9
71.58197	0.4
73.02824	2.5
81.03342	2.1
83.04916	2.8
85.02824	53.7
86.03157	1.8
87.00751	9.4
93.03336	16.4
93.03922	0.9
94.03680	0.8
95.01276	0.6
99.00778	0.4
99.04385	2.2
101.02337	0.5
108.02103	0.5
109.02842	4.5
111.04397	4.0
123.10912	0.4
125.02327	0.5
127.03909	8.5
155.03378	1.0
171.02982	2.3
173.04500	2.8
191.05544	100.0
192.05902	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.40150	0.2
57.03316	0.7
58.00466	0.4
59.01247	3.8
62.87854	0.2
67.01758	1.3
69.03317	0.8
71.01251	2.6
72.99171	0.4
73.02807	1.3
81.03334	1.3
83.04911	1.3
85.02823	28.8
86.03161	0.8
87.00750	5.6
93.03334	10.2
94.03674	0.5
95.01259	0.3
99.04409	1.1
101.02344	0.5
102.49471	0.2
108.02058	0.4
109.02837	2.1
111.00779	0.4
111.04395	2.0
113.02303	0.3
127.03905	5.2
137.02303	0.5
143.03368	0.3
155.03403	0.4
171.02913	1.7
173.04474	2.3
191.05536	100.0
192.05870	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	191.0555
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03330	2.7
59.01257	4.8
67.01768	2.4
69.03315	1.5
69.50116	1.6
69.67113	0.3
71.01269	2.9
72.99181	0.5
73.02822	1.9
81.03338	1.5
83.04903	1.5
85.02826	42.1
86.03157	1.4
87.00756	20.7
88.01117	0.6
93.03342	10.7
94.03696	0.5
95.01256	0.5
97.02820	0.4
99.00751	0.5
99.04401	1.4
101.02301	0.5
109.02865	2.2
109.59889	0.3
111.00769	31.0
111.04412	3.2
112.01099	1.7
113.02353	0.5
127.03910	6.3
129.01871	2.2
136.08893	0.3
137.02328	0.6
148.29390	0.3
149.29744	0.4
155.03470	0.4
156.29413	0.3
171.02936	1.4
173.00829	0.3
173.04477	2.9
175.79135	0.4
191.02023	3.9
191.05547	100.0
192.05901	5.4
192.07487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60543	0.4
57.03312	0.4
59.01247	4.6
67.01752	1.5
69.03316	1.1
71.01254	2.6
71.11633	0.3
71.30547	0.6
72.31650	0.4
73.02811	1.4
74.23273	0.3
81.03310	1.8
83.04904	1.6
85.02821	32.6
86.03136	0.9
87.00753	7.0
88.01096	0.4
93.02760	0.6
93.03333	9.9
94.03649	0.6
99.04395	1.0
108.02059	0.4
109.02823	2.8
111.04391	2.8
113.02283	0.5
125.02406	0.4
126.92574	0.3
127.03904	6.6
131.93040	0.3
143.03349	0.6
156.30891	0.3
158.42412	0.4
163.00232	0.5
171.02940	1.9
173.04491	3.0
176.01028	0.5
191.05534	100.0
192.05862	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	192.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03324	0.9
57.33831	0.2
58.00476	0.3
58.03652	0.4
59.01252	4.7
60.01582	0.9
60.99179	0.4
65.03825	0.2
66.96429	0.2
67.01757	1.1
68.02095	0.6
68.99660	0.3
69.03327	1.8
70.03661	0.6
71.01255	5.8
71.25147	0.4
72.01590	1.1
72.99189	0.6
73.02820	3.7
74.03168	0.5
76.96233	0.2
81.03337	1.1
82.03658	1.0
83.01253	1.2
83.04910	0.5
84.05228	1.0
85.02827	17.6
85.99981	0.8
86.03159	16.7
87.00755	6.2
87.03261	0.9
87.45025	0.2
88.01086	2.1
89.01183	0.4
89.02301	0.3
93.03339	5.0
94.03670	7.1
95.01265	1.4
95.04916	0.3
97.02848	1.4
99.00761	2.9
99.04388	0.6
100.04736	0.7
101.02325	3.9
104.88314	0.2
105.03337	0.2
107.01227	0.2
109.02885	1.4
110.03178	2.0
111.00767	0.4
111.04397	0.7
112.04749	2.1
113.02315	0.9
115.03862	0.2
121.02859	1.7
123.00764	0.6
125.02330	1.1
127.03915	0.9
128.04253	4.4
129.04257	0.3
133.02800	0.2
134.03609	1.6
136.01523	0.2
137.02357	2.5
138.02692	0.5
139.03902	0.2
140.01021	0.4
141.01849	0.9
144.03732	0.3
149.02364	1.2
149.05983	0.5
152.46150	0.3
155.03415	0.7
156.03658	0.4
161.04462	4.4
164.01085	1.7
165.01903	1.7
172.03273	1.5
174.04784	2.3
175.04819	0.3
178.02641	1.3
191.05498	0.4
192.05885	100.0
193.01358	5.6
193.05927	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	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
56.55066	0.3
56.69660	0.3
62.61614	0.4
69.83183	1.3
88.31985	0.3
109.06474	3.8
111.08040	3.6
122.03666	0.4
123.04395	0.5
125.09621	0.9
135.11699	0.4
138.06750	0.7
150.03108	0.4
151.03870	0.4
151.11211	0.6
163.04933	0.4
165.01805	0.5
167.14333	6.7
168.14682	0.4
179.10670	5.0
180.04146	0.6
180.11136	0.7
195.06604	0.9
195.13838	100.0
196.14174	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01762	0.4
56.78493	0.3
59.01254	0.5
59.01529	0.3
61.98708	0.7
67.43733	0.3
69.03313	0.9
69.13396	0.3
71.04893	1.2
83.04918	0.4
95.01298	0.3
95.04894	0.8
96.06868	0.3
97.06468	16.0
98.06818	0.7
98.20571	0.7
99.08036	5.1
109.02805	0.5
109.06445	0.8
109.99963	0.8
121.02855	0.6
122.03654	2.4
123.00781	2.0
123.04411	0.7
123.08083	0.4
125.02349	1.2
125.09605	1.3
126.03136	0.9
135.04391	0.3
135.23082	0.3
137.09622	2.6
137.99483	0.6
138.03143	0.8
151.11224	1.3
153.01865	0.9
153.05495	0.6
153.12756	100.0
154.13097	9.4
166.99785	1.7
179.10701	22.5
180.11037	2.1
182.02126	2.7
197.04474	1.0
197.08054	0.4
197.11752	7.2
198.12094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03260	1.3
57.03317	3.0
59.01253	4.2
60.57948	1.3
61.98711	3.7
65.00189	1.9
65.01320	4.2
69.03333	2.3
71.01266	1.8
71.04896	100.0
72.05225	2.2
73.02814	1.5
81.03317	2.0
83.04903	6.0
92.08449	1.3
93.03356	2.0
95.01265	4.9
95.04930	1.7
97.02834	2.6
97.06466	2.0
98.20672	2.6
105.04455	1.8
106.03957	2.0
109.02852	3.6
109.06462	2.6
109.99970	8.4
111.00781	1.6
111.04370	2.4
112.03916	1.2
121.02848	4.4
123.00764	18.6
123.08060	1.9
125.02355	3.9
125.05951	1.5
125.09654	1.7
126.90416	3.0
130.03998	2.4
135.08092	2.0
137.02368	3.2
137.09636	1.7
137.99530	2.3
138.03105	7.4
144.05531	1.9
151.03925	1.5
153.01872	6.8
153.05479	5.1
153.09132	3.5
153.12767	27.3
154.13121	2.9
156.05598	3.1
157.05154	3.0
158.05954	1.4
162.65152	1.3
166.99780	12.6
169.12251	3.6
170.03456	1.7
171.06703	6.6
179.03345	1.5
179.10680	2.5
182.02133	22.8
182.05635	1.6
197.00819	2.1
197.04544	12.8
197.06084	2.2
197.08154	7.9
197.11772	34.7
198.07784	3.0
198.12183	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	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.87195	0.3
55.85436	0.3
57.03308	0.3
58.46128	0.3
59.01228	0.3
59.05294	0.3
59.79646	0.3
65.01305	0.6
71.04893	0.4
71.34026	0.3
71.34361	0.3
73.02818	4.1
75.17870	0.3
81.65974	0.3
85.02829	0.9
130.03949	0.4
135.08038	1.7
137.09616	8.4
137.10625	0.6
138.09978	0.6
142.60921	0.3
145.04935	0.3
155.10683	100.0
156.11020	7.7
159.02957	0.3
172.05124	0.7
199.06131	0.9
199.09692	4.4
200.05954	0.4
200.10075	0.3
205.34180	0.3
213.27414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0971
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.48982	0.2
57.03320	0.6
59.01246	0.3
60.16209	0.3
65.01314	0.5
69.25993	2.4
71.01288	0.4
71.04895	0.4
71.79437	0.3
73.02829	3.4
77.90578	0.3
83.04897	0.3
85.02840	0.8
88.97183	0.3
89.01357	0.3
89.41360	0.2
89.68797	0.3
91.02879	0.5
99.00748	0.4
99.04388	0.4
103.86682	0.2
106.03992	0.4
111.08031	0.3
113.02360	0.4
127.03932	0.5
130.04016	0.8
132.85956	0.3
135.08057	1.4
137.09630	8.8
138.09937	0.5
145.04001	0.3
148.51106	0.3
155.10696	100.0
156.11035	8.7
157.05130	0.4
158.03506	0.4
172.05052	0.7
173.04691	0.5
199.06111	2.5
199.09698	5.0
199.13365	0.8
199.16978	0.7
200.10072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.115
Annotation	Triacsin B
Peak:m/z	Relative Intensity
53.71525	0.9
56.03605	0.9
58.02880	1.1
59.01247	2.7
61.37904	0.8
61.98701	1.3
65.01320	1.7
65.99724	1.8
67.48495	1.0
69.28825	4.6
69.29250	2.9
71.01260	2.9
72.99183	2.1
75.00754	1.5
82.03972	1.8
85.02817	1.2
87.00735	1.4
89.10669	1.0
115.00284	2.2
117.03374	2.4
121.02805	1.5
121.05090	5.2
133.02824	1.6
133.06493	3.2
134.03476	1.0
136.05173	7.8
142.99718	1.1
145.02878	3.3
147.04422	1.6
147.08020	1.6
149.05966	9.7
151.05058	1.3
161.02477	1.4
161.04771	1.2
161.05963	6.1
161.09718	2.0
163.06158	1.2
163.11163	1.7
164.08339	1.4
171.08113	4.3
177.01808	1.4
188.08344	10.7
189.09120	13.7
190.02533	1.1
203.10719	46.2
204.11487	100.0
205.01378	1.9
205.04997	5.6
205.07097	2.5
205.08769	2.1
205.12010	15.8
205.15968	4.3
217.48936	0.9
219.86856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	9.1
57.03331	2.8
58.00471	3.7
59.01253	77.8
66.83953	1.8
68.99695	15.1
70.73491	3.8
71.01256	89.3
72.01598	1.8
72.99182	46.9
73.02821	13.8
75.00749	42.4
83.01252	12.9
85.02821	4.1
87.00752	59.0
87.01275	3.4
89.02322	5.3
96.99202	5.6
97.99968	2.0
99.00768	36.1
100.98700	3.2
101.02326	7.7
103.00252	8.8
105.01852	4.0
111.00780	17.4
112.98720	7.1
115.00261	100.0
116.00616	2.9
117.01815	12.2
124.98704	18.3
125.02352	9.7
127.00267	14.6
128.00677	1.7
129.01819	13.7
130.99753	7.6
142.99782	26.1
144.00526	2.5
145.01346	22.8
154.99771	15.9
157.01375	3.8
161.06071	1.8
173.00830	4.6
175.02437	7.8
185.92137	2.1
186.96518	2.3
187.02383	4.0
205.03473	6.3
205.05193	3.0
205.15961	7.3
206.04315	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	10.1
57.03322	3.2
58.00464	3.1
59.01252	87.4
59.29758	1.6
60.99178	2.3
68.99685	14.5
71.01252	100.0
71.30556	2.2
72.01573	2.1
72.99185	44.7
73.02818	16.1
75.00741	42.1
82.14837	1.7
83.01265	12.8
84.99174	2.2
85.02828	2.9
87.00748	66.2
88.01038	2.1
89.02309	4.3
89.46346	1.7
90.78325	1.8
96.99203	9.8
99.00768	33.2
100.01084	2.2
100.98656	2.1
101.02326	8.8
103.00226	5.5
111.00768	14.2
112.98687	5.2
115.00259	83.8
115.09296	1.9
116.00558	4.3
117.01812	11.9
124.98689	17.9
125.02348	7.1
127.00261	9.5
129.01862	12.7
130.99731	9.5
141.05487	1.8
142.99774	24.0
145.01343	15.4
154.99757	14.2
157.01323	2.8
173.00845	2.7
175.02419	6.2
175.05994	3.5
185.68834	2.0
205.03421	4.5
205.07022	3.2
205.15938	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
57.57796	0.1
58.02850	0.1
59.01262	0.2
71.01269	0.1
71.60601	0.1
72.99162	0.1
73.02814	0.2
75.04657	0.1
88.19807	0.1
91.78727	0.1
97.02801	0.1
98.20346	0.6
115.00229	0.2
121.90189	0.1
124.31841	0.1
133.02832	0.2
133.06538	0.1
161.02321	0.1
161.06010	0.3
162.89265	0.2
174.13632	0.1
177.01852	0.3
177.05594	0.2
189.12807	1.9
190.02666	0.2
190.13065	0.2
191.12961	0.1
205.01372	0.3
205.04936	0.6
205.15916	100.0
206.16261	12.1
206.18314	0.1
229.26653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02079	4.8
57.03323	5.8
58.02836	8.4
59.01249	65.0
60.01575	11.2
63.19403	3.8
68.99683	16.2
70.21758	4.2
71.01250	46.6
71.53593	4.4
72.01594	21.7
72.99172	39.8
73.02814	12.5
73.99512	7.2
75.00741	30.6
76.01093	7.6
83.01253	11.0
83.34665	3.6
85.02824	15.9
87.00750	76.2
88.01086	14.1
93.03339	4.6
99.00746	21.9
100.01085	9.8
100.98716	5.2
101.02313	19.1
103.00231	8.8
111.00761	6.7
112.01064	6.4
112.98673	13.7
113.02311	7.3
115.00297	22.4
116.00587	26.8
117.01804	9.4
120.61172	4.7
124.98707	4.9
125.99041	5.5
128.00575	6.6
129.01826	21.3
130.02176	6.2
130.99753	70.2
135.04404	6.6
142.99791	5.7
143.03427	7.9
144.00514	14.7
145.01331	45.3
146.01711	8.5
147.02925	4.6
147.04335	5.2
147.67604	4.4
149.02367	4.5
157.01317	14.5
157.97507	4.0
161.04491	5.0
163.00409	5.0
163.07564	4.6
164.07005	6.4
177.01804	22.9
189.04013	4.7
192.04214	25.0
206.04150	21.8
207.03023	11.5
207.04984	100.0
207.06596	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	206.0818
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
55.37830	0.7
58.02851	33.4
69.66714	4.2
70.02858	12.8
70.90984	0.9
72.00784	3.6
82.82129	0.8
83.75594	0.8
91.05415	8.9
98.19827	1.9
135.04408	1.3
147.04413	35.6
148.04785	2.4
151.00464	1.0
162.09177	1.6
164.07085	100.0
165.07446	5.6
192.04201	1.0
193.62923	0.8
206.08171	31.1
207.08513	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	207.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03327	0.8
57.67295	0.2
58.00463	0.2
59.01251	3.9
60.41859	0.2
69.03325	0.8
69.20757	1.6
71.01255	5.8
72.01579	0.2
72.99183	3.4
73.02821	4.8
75.00765	0.4
81.03327	1.3
83.01268	0.6
83.04918	0.5
85.02826	8.6
86.03152	0.4
87.00754	9.0
87.04388	0.2
88.01035	0.2
89.02325	0.5
95.01254	0.4
97.02831	1.1
99.00766	4.9
99.01421	0.3
99.04407	0.8
101.02327	14.4
102.02680	0.4
107.00008	0.2
108.02059	0.5
109.02841	4.3
110.03219	0.2
113.02332	0.5
117.01812	1.4
125.02338	2.5
125.14270	0.2
127.00224	0.2
127.03053	0.2
127.03913	1.3
129.01839	7.9
130.02205	0.2
131.03423	0.3
137.02377	0.5
141.01808	0.2
143.03404	4.7
147.02872	0.7
153.01906	0.2
161.04474	1.7
171.02884	0.7
177.01807	0.3
182.07780	0.2
189.04091	1.8
192.04276	0.3
207.05046	100.0
208.05374	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	207.0506
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.43199	0.2
54.61805	0.2
55.01748	0.3
57.03326	0.9
59.01254	3.7
69.03323	0.6
69.67239	0.2
71.01257	5.4
71.30062	0.4
72.99187	3.7
73.02821	4.7
74.03156	0.2
75.00755	0.4
76.06535	0.2
81.03336	1.3
82.86006	0.2
83.01258	0.7
83.04916	0.4
83.78288	0.2
85.02829	7.6
86.03175	0.2
87.00758	7.8
89.02358	0.5
95.01277	0.5
97.02839	1.3
99.00762	4.6
99.01411	0.3
99.04398	0.7
101.02326	14.2
102.02649	0.5
108.02070	0.7
109.02844	3.8
109.24365	0.3
113.02347	0.5
117.01839	1.4
125.02329	2.3
127.02989	0.3
127.03912	1.4
129.01837	8.1
129.63243	0.3
131.03378	0.4
134.39911	0.2
137.02321	0.3
141.01833	0.2
143.03406	5.3
144.03749	0.3
145.05013	0.3
147.02908	0.8
161.04456	2.1
171.02879	0.6
177.01959	0.2
181.01372	0.2
189.04015	2.3
190.04286	0.3
192.04240	0.2
203.71239	0.2
207.05054	100.0
208.05400	6.2
209.59317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01257	1.4
63.02282	0.3
65.00195	3.1
67.01749	0.4
67.05363	0.2
71.03561	0.4
80.02541	0.5
81.03330	18.0
82.03667	0.6
83.01254	3.1
83.04897	0.8
95.04939	0.2
99.08038	1.9
101.05965	1.7
105.07014	0.3
107.01267	2.7
107.28388	0.2
109.06435	0.3
111.08059	0.4
120.02045	0.2
121.02853	4.0
121.06487	0.2
122.03638	6.0
123.04396	0.8
123.08050	7.5
124.01585	0.5
124.08402	0.5
125.02344	7.8
125.05978	13.9
126.06310	1.1
137.09644	0.5
141.09116	0.6
147.08060	0.7
148.01581	0.2
149.05917	0.2
151.00284	4.8
152.00786	0.2
156.05573	0.3
165.09126	64.0
166.02600	0.4
166.09451	4.8
167.03419	0.3
167.07100	0.4
173.64139	0.2
176.04645	0.5
181.05009	0.4
183.06676	0.5
191.07043	2.6
194.02269	0.2
195.77161	0.2
209.08138	100.0
210.08466	8.6
214.36327	0.2
220.53137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0849
Annotation	octyl hydrogen sulfate
Peak:m/z	Relative Intensity
55.71855	0.3
59.01239	1.0
61.98706	11.0
65.00169	0.4
65.01324	0.3
77.03871	0.3
79.95602	2.0
80.02566	0.4
81.03318	0.4
83.01246	0.4
83.04903	1.3
83.19122	0.3
90.74002	0.3
91.01779	0.7
92.52736	0.3
93.03325	0.9
94.00775	0.3
94.02882	1.1
95.04913	0.5
95.95123	0.7
96.95892	100.0
97.02796	0.3
97.95829	0.7
109.02823	0.7
111.04398	0.5
121.02847	40.3
122.03171	2.1
123.00739	0.4
123.04445	0.5
124.03958	3.0
125.02405	0.4
135.04419	0.7
136.01521	0.4
137.02371	0.5
137.05994	0.8
139.00253	0.3
139.03873	0.7
147.04370	0.4
151.00264	0.5
151.03943	0.4
156.05582	0.6
163.11200	0.7
165.05498	0.7
165.09200	0.6
165.12743	0.8
167.03506	0.4
179.03476	1.1
181.05002	0.6
181.12326	0.4
183.06740	0.8
191.03358	0.5
194.02089	1.0
194.05823	0.6
209.04489	6.9
209.08487	61.2
209.11566	11.6
209.94881	3.2
210.04950	0.6
210.08960	4.3
210.12155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1179
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.48979	0.6
57.03321	3.0
59.01253	67.4
61.98706	18.3
62.25859	0.7
62.74396	0.8
65.01310	0.7
69.46049	5.3
80.02561	1.2
81.03343	1.9
83.04905	2.6
84.04419	1.1
91.01798	1.3
91.02913	0.7
93.03353	1.5
94.02868	2.1
95.01322	1.4
95.04911	1.2
96.95893	1.1
97.02821	1.1
97.06480	2.9
107.04915	1.2
108.02063	1.4
109.02829	1.1
109.06473	4.0
120.02100	1.3
121.02847	100.0
122.03177	7.1
123.00778	0.8
123.04372	1.6
124.03952	5.2
125.02354	1.3
130.04080	1.2
135.04440	2.2
136.01537	1.4
137.02293	1.2
137.05981	3.3
138.03102	0.9
151.03918	1.9
153.05434	0.8
156.05577	2.6
161.02377	1.0
163.11211	0.9
165.01851	1.0
165.05498	2.1
165.09134	1.9
165.12770	3.7
167.03392	1.1
168.04449	0.8
178.99698	0.8
179.03468	2.1
181.05011	1.4
183.06711	3.0
191.03384	1.3
193.98521	1.3
194.02173	1.9
194.05792	2.3
209.01193	0.8
209.04492	20.7
209.06332	1.8
209.08336	4.0
209.11787	22.9
209.94884	5.5
210.04848	1.9
210.07794	3.0
210.12114	1.9
221.61226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01747	3.0
55.06307	0.7
57.03318	2.7
59.01249	1.4
61.98706	6.2
65.00172	0.7
67.01765	0.9
69.03316	1.3
71.01263	1.0
71.53323	0.9
71.53706	1.0
73.02857	0.7
80.02542	1.5
81.03345	5.3
83.01262	28.2
83.04898	5.2
83.10123	0.6
84.02030	1.2
86.58720	0.7
89.17928	0.7
91.01772	0.9
92.99686	1.8
93.03333	3.0
94.02852	2.2
95.01292	1.2
95.04920	1.8
97.02830	1.0
97.06479	4.7
97.07007	0.9
106.04064	0.7
107.04947	0.8
108.02022	1.0
109.02861	1.8
109.06469	1.0
111.04412	0.9
120.02076	1.2
121.02849	90.6
122.03142	4.4
123.00730	0.9
123.04409	1.8
123.08052	2.8
124.03938	6.0
125.02357	1.1
125.06013	0.8
125.09618	21.5
126.09950	1.5
135.04378	2.1
135.08057	1.9
136.01573	1.7
136.98723	1.5
137.02356	1.2
137.05968	2.0
147.43762	0.7
161.02388	1.6
163.11165	10.2
164.98155	1.1
165.01961	1.3
165.05478	2.0
165.09163	1.0
165.12733	4.5
167.03368	0.9
173.04373	0.8
178.99858	1.0
179.03384	3.5
181.04947	1.2
181.12254	2.4
191.10721	7.5
193.98476	2.8
194.02097	1.5
194.05759	1.9
209.00867	2.4
209.04504	15.8
209.08278	3.5
209.11771	100.0
209.94855	1.7
210.04730	0.7
210.07806	1.1
210.12128	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	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.9
61.98706	18.8
62.37505	0.5
65.00189	0.5
65.01311	0.6
69.03317	1.0
75.46518	0.6
80.02552	3.0
81.03331	2.8
83.01237	0.6
83.04897	9.4
84.05241	0.6
85.02832	0.8
85.81071	0.5
91.01776	0.5
91.38941	0.6
93.03335	1.4
94.02859	1.5
95.01286	0.9
95.04911	1.3
97.02804	0.9
97.06500	0.9
100.51914	0.5
109.02837	1.5
109.06470	1.1
111.04427	0.7
120.02052	0.6
121.02848	56.7
122.03154	3.0
123.00798	0.9
123.04396	0.7
124.03927	3.5
125.02303	0.7
125.05954	1.4
130.03992	0.6
135.04413	1.5
135.08008	1.0
136.01573	0.8
136.98755	0.4
137.02348	1.1
137.05997	1.7
139.03957	0.6
149.02376	0.5
150.03076	0.6
151.00308	0.6
151.03914	1.2
156.05635	0.9
163.11206	6.6
164.11578	0.6
165.01811	0.6
165.05502	2.1
165.09143	1.3
165.12776	4.8
166.02625	1.2
167.03445	0.6
178.99840	0.5
179.03470	1.7
181.04999	0.6
181.12221	1.2
183.05171	0.5
183.06709	2.0
191.10765	1.5
193.98425	1.2
194.02098	0.9
194.05768	0.9
209.00845	0.8
209.04517	11.7
209.11777	100.0
209.94846	5.8
210.04878	1.0
210.07793	1.4
210.12123	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	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12719	0.5
60.84809	0.6
61.98688	2.0
65.00183	1.4
71.53338	0.8
80.02556	2.2
80.79484	0.5
81.03336	2.6
83.04909	8.6
92.99679	1.6
93.03344	1.6
94.02865	1.6
95.04895	1.9
100.89378	0.7
107.04896	0.6
109.02848	1.5
109.06461	0.9
115.07077	0.6
121.01949	1.4
121.02847	29.6
122.03198	1.9
123.04447	0.7
124.03936	2.8
125.05994	1.5
135.08159	0.8
136.23714	0.7
136.98686	1.2
137.02390	0.9
139.03906	0.7
148.59700	0.6
163.11191	7.4
164.11545	0.6
164.98215	1.2
165.01904	0.8
165.05431	1.1
165.12769	4.1
167.03276	0.6
179.03372	1.1
181.12325	1.2
191.10695	1.4
193.98444	1.4
194.02145	1.4
194.05748	1.1
209.00856	1.1
209.04510	7.2
209.11777	100.0
210.04816	0.7
210.12086	10.1
215.45302	0.7
217.05258	0.8
227.09399	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	209.1178
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.24666	0.5
56.12033	0.5
56.97263	0.5
59.01244	1.9
61.98700	2.6
64.24508	0.5
65.00195	0.5
65.01322	1.1
71.01281	0.7
71.54620	0.6
73.02808	0.5
79.95592	0.5
80.02544	3.0
81.03326	1.8
83.01259	0.7
83.04900	10.7
84.05212	0.5
91.02873	0.6
93.03346	1.5
94.02877	1.3
95.01271	0.8
95.04908	2.0
97.06443	0.6
105.04528	0.5
109.02786	0.7
109.06452	0.8
116.99010	0.5
119.04929	0.5
120.02072	0.4
121.02848	42.7
122.03119	2.6
122.12433	0.5
123.04420	1.2
124.03951	3.3
125.03349	0.5
125.05937	0.8
130.03986	0.9
135.04398	1.8
135.08041	1.3
136.01549	1.0
137.02365	0.6
137.05968	1.8
147.11694	0.6
149.02426	0.5
151.03816	0.5
156.05574	1.6
163.11197	8.3
164.11523	0.8
165.05493	1.5
165.09085	1.1
165.12764	4.1
166.02571	0.7
167.03365	0.8
178.99864	1.0
179.03427	1.1
181.04997	0.6
181.12302	1.6
183.06647	2.3
191.03502	0.6
191.10730	2.0
194.02121	1.0
194.05791	1.1
209.04518	9.0
209.08282	3.1
209.11772	100.0
209.94868	1.2
210.04980	0.5
210.07762	1.6
210.12120	10.2
211.93965	0.4
218.76518	0.5
225.11203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01248	0.9
61.98705	4.0
69.03317	1.0
70.10850	1.2
71.01260	0.6
83.04916	0.9
83.87132	0.4
93.03343	0.3
95.01280	0.7
97.02859	0.4
109.02813	0.5
119.14464	0.4
121.02776	0.4
123.04365	0.5
125.02341	0.4
137.02341	0.8
139.03879	0.4
139.11160	0.5
152.21744	0.3
154.64011	0.3
155.10674	0.5
157.05032	0.4
166.90976	0.4
167.07062	0.5
167.10678	1.3
167.14326	1.4
173.27748	0.4
181.01312	0.3
183.13838	16.6
184.14175	1.0
193.12299	4.5
196.03632	0.6
210.94833	0.7
211.05992	1.0
211.13347	100.0
211.94815	0.5
212.05641	0.4
212.13704	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	213.1128
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01756	2.2
57.03324	1.9
59.01241	3.6
61.98707	4.9
65.00218	1.2
69.03321	9.6
69.40973	7.6
71.01263	1.8
71.04897	100.0
72.05247	2.9
73.62574	1.1
75.18689	1.0
83.04895	1.4
85.02831	2.4
87.00782	3.3
87.04402	2.9
93.03378	1.2
95.04935	1.2
97.02840	8.6
97.06473	10.0
98.03645	1.4
98.19707	2.0
98.20317	4.3
99.08046	2.4
113.09609	1.8
115.03904	19.2
115.07541	15.8
121.89641	1.1
123.08066	2.3
125.09654	6.5
126.06750	1.6
127.11184	52.7
127.12128	2.7
128.11551	3.5
141.09132	5.0
141.12753	2.8
143.10609	1.5
151.07600	1.5
151.11201	9.3
152.11510	1.3
159.96902	1.1
161.26050	1.3
169.12263	86.4
170.12675	7.0
171.06686	2.1
183.13861	7.7
185.11720	1.3
195.10306	1.7
195.13852	7.4
196.51950	1.2
213.05524	2.8
213.07657	5.1
213.11281	21.7
213.14926	35.3
213.18541	5.1
214.01314	1.5
214.11620	2.1
214.15300	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1493
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.76402	0.5
57.03332	0.8
59.01249	1.5
61.98705	1.6
63.72662	0.6
65.01308	1.0
69.03314	1.1
71.01246	0.8
71.04907	0.6
73.02826	1.0
83.04881	1.1
87.46193	0.5
97.02840	1.0
98.18553	0.6
106.04041	0.9
137.09557	0.6
151.11198	0.6
169.12260	1.4
172.06221	0.7
183.13853	30.3
184.14160	2.9
195.13869	24.7
196.14207	1.6
213.01959	0.9
213.07684	2.3
213.14935	100.0
214.07262	0.8
214.15273	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	215.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46543	3.2
59.01247	13.3
65.59279	3.3
66.25156	4.2
69.61937	4.2
70.77046	7.4
71.01253	4.2
73.02841	4.4
85.02847	3.9
89.32397	3.9
89.93713	3.5
93.03330	8.4
130.53613	3.8
137.02332	4.8
144.00824	18.4
199.39444	3.7
215.00948	100.0
215.07271	7.2
215.12794	10.2
216.01279	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	215.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51450	0.9
53.92210	1.3
54.34639	1.0
59.01260	5.5
61.98702	1.7
65.99728	1.8
71.01269	1.8
71.54215	1.4
73.02824	100.0
74.03151	2.0
83.04862	1.2
83.73187	1.0
87.00738	2.3
93.03344	3.7
95.14773	1.1
95.39480	1.0
99.00774	1.4
111.04426	2.3
137.02341	2.7
141.09148	4.1
144.00847	7.4
145.05113	1.5
171.10191	56.0
172.10522	4.7
187.07507	1.3
194.61980	1.2
215.00957	46.2
215.03328	2.8
215.05463	2.5
215.09238	3.1
215.12894	3.8
216.01349	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	215.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16465	0.8
55.01749	1.3
55.16483	0.8
55.51718	0.8
57.35246	0.9
59.01239	3.9
65.01318	0.9
66.97079	0.7
67.62050	0.8
71.54299	1.2
73.02822	100.0
74.03158	1.9
87.00746	1.2
88.95452	0.8
93.03330	3.9
111.04403	1.2
117.01788	1.5
137.02399	1.6
141.08156	1.0
141.09155	4.1
144.00832	5.2
146.03520	0.9
161.02417	0.9
171.10196	50.7
172.10512	3.9
197.08128	1.1
215.00946	43.9
215.05365	1.6
215.07303	1.5
215.09247	2.4
215.12927	1.7
216.01215	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	217.1079
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
52.19293	0.4
55.01761	0.5
59.01258	0.5
59.70054	0.4
62.73873	0.4
69.89775	1.3
69.90175	0.8
73.02825	29.3
74.03176	0.8
79.48743	0.5
88.03956	0.4
95.04931	1.3
96.95922	0.4
97.06478	8.4
98.06834	0.5
99.08065	1.1
117.76653	0.4
125.05987	14.3
126.06307	1.1
137.09637	0.6
143.07056	100.0
144.07378	5.5
155.10710	22.1
155.11990	1.0
156.11076	1.6
189.53082	0.4
190.06125	0.4
199.09714	4.1
216.27809	0.5
217.05106	0.9
217.10782	32.2
218.11151	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	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
55.01761	1.2
55.29720	0.5
59.01245	0.8
69.49866	1.7
69.50291	1.7
71.01263	0.7
73.02821	29.8
74.03172	0.7
95.04916	1.8
97.06477	12.1
98.06831	0.7
98.60737	0.5
99.08041	2.0
114.72713	0.5
120.03192	0.5
125.05972	15.3
137.09612	0.6
143.07043	100.0
144.07350	5.5
146.96922	0.6
155.10684	22.2
156.10994	1.6
165.68619	0.5
184.58240	0.5
189.05602	0.6
199.09641	3.6
217.05069	1.0
217.10767	24.8
218.11145	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	219.1386
Annotation	Glutinosone
Peak:m/z	Relative Intensity
52.41678	0.2
55.01783	0.2
57.03075	0.2
57.03320	0.9
61.98714	0.4
68.78681	0.2
71.04904	0.3
71.46411	0.3
79.05430	0.3
83.04903	1.2
93.07001	0.7
97.06483	0.3
107.04892	0.2
109.02876	0.7
111.04408	4.6
111.05135	0.3
119.08530	0.3
121.06510	0.6
122.03611	0.3
123.04424	0.2
125.05984	2.5
125.09613	0.5
126.06281	0.2
133.06491	0.2
135.08090	1.0
136.05219	0.6
137.09615	0.9
145.06499	0.3
147.08087	0.5
148.05205	3.0
149.06041	0.9
149.09639	0.4
151.07547	0.3
159.11769	0.3
160.08896	0.3
161.09628	3.7
163.07552	3.7
164.08211	0.5
166.06310	0.5
170.05701	0.9
171.07965	0.2
175.07571	0.6
175.11237	0.8
177.09175	0.4
177.12782	0.9
179.07115	0.2
179.10765	0.4
185.09648	0.2
186.10492	0.9
188.08409	1.1
189.09164	4.3
189.12804	1.2
190.09497	0.3
191.10674	0.3
191.14372	0.3
196.07393	0.3
201.11229	0.2
201.12791	10.8
202.13141	1.2
203.10728	11.4
204.07881	1.3
204.11496	36.0
205.11867	4.0
209.29875	0.2
216.83630	0.2
219.13861	100.0
219.17422	2.8
220.14201	12.4
236.10492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0664
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
55.01767	0.9
57.03310	1.8
58.03675	0.5
59.01252	8.4
69.03321	1.4
69.31287	3.9
69.31675	1.1
71.01255	4.1
72.99175	1.3
73.02843	4.8
79.05393	0.9
81.03342	4.4
83.01273	0.6
83.04904	5.2
85.02831	12.7
87.00753	11.4
87.04409	1.1
90.17423	0.6
93.03342	10.5
94.03643	0.6
95.04382	0.5
95.04890	2.7
97.02835	1.8
99.00776	1.3
99.04406	8.9
101.02316	4.4
102.71616	0.5
104.15561	0.5
105.22123	0.5
108.02047	2.8
109.02853	7.8
111.04404	8.7
113.02357	3.1
113.05971	0.8
115.03900	5.4
121.02857	2.0
123.04419	19.8
124.04852	1.3
125.02334	1.4
127.03912	23.7
128.04195	0.9
129.01797	1.6
131.03409	7.5
137.02348	2.0
139.03920	1.5
141.05455	4.6
143.03377	2.0
155.03418	2.3
157.04996	1.4
159.06580	1.4
161.04514	2.6
171.03017	1.0
173.03076	1.0
173.04488	11.0
174.04735	0.8
175.06133	0.7
191.05554	12.9
192.05865	0.8
203.05554	5.5
221.06625	100.0
222.06995	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	223.028
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01238	0.4
59.96601	1.0
61.98690	0.9
69.32034	0.2
71.01253	0.3
73.02839	1.1
74.98948	16.4
75.96089	0.8
75.98894	0.4
81.12616	0.2
89.02288	0.3
91.03906	0.5
92.99441	0.4
93.00016	6.5
93.99948	0.3
98.19830	0.5
98.20489	0.5
108.02097	0.2
131.03371	0.2
149.00870	13.9
150.00832	0.8
150.98744	0.7
152.96732	0.3
193.01321	0.3
206.99658	5.3
207.99794	0.8
223.02792	100.0
224.02834	15.1
225.00803	0.4
241.03883	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	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03320	3.7
59.01251	9.3
59.70053	0.6
68.20252	0.5
69.03329	8.0
69.59867	1.5
69.60268	2.5
71.01256	8.6
72.99180	1.9
73.02826	15.3
73.55443	0.6
74.03155	0.7
81.03313	1.4
83.01263	3.4
85.02817	9.3
87.00752	100.0
88.01089	2.8
89.02317	1.7
97.02829	8.3
99.00768	3.3
99.04440	0.8
101.02327	2.4
103.00264	1.2
109.02879	0.6
112.58568	0.6
113.02321	2.8
115.00253	0.7
115.03881	0.8
117.01832	0.8
118.56511	0.7
124.26850	0.6
125.02346	10.1
129.01833	7.1
131.03400	2.0
133.01251	0.6
136.69002	0.6
164.75143	0.6
192.77213	0.6
193.01375	1.0
198.74182	0.6
199.94824	0.6
205.03479	1.8
208.03696	0.8
223.04578	24.8
223.06960	4.4
224.04900	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	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16646	2.1
58.51939	2.0
59.01245	8.9
65.84657	2.4
67.56461	1.9
67.66889	1.9
70.14002	8.3
71.01248	3.3
73.02822	12.0
79.35651	2.0
91.03886	3.8
93.31327	2.2
101.02322	3.8
131.03394	2.6
133.10144	3.3
135.11694	30.8
151.03894	2.8
161.09644	6.2
179.10710	100.0
180.11050	6.4
223.06104	5.2
223.08171	6.2
223.13255	2.5
244.80322	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	62.1
59.42478	4.7
61.98709	20.1
70.67923	9.1
71.01251	33.8
72.99170	5.8
73.02821	93.4
75.00758	5.9
78.41953	3.6
81.03355	4.6
82.03986	4.9
83.01255	6.6
85.02824	8.7
89.02309	27.9
91.03886	48.6
96.95915	4.4
101.02322	31.8
109.02872	6.0
113.02332	6.4
116.38706	3.5
121.02875	7.0
122.03568	3.4
123.00764	5.9
123.04448	6.3
131.03409	25.7
135.04387	5.5
135.11708	27.6
149.02321	6.3
151.00299	5.2
151.03848	5.6
161.09711	5.5
171.00014	4.5
179.09140	5.9
179.10701	100.0
180.11092	7.4
181.73466	4.2
193.01352	11.3
196.06267	5.4
197.08321	4.1
208.03722	18.3
223.02690	20.4
223.06075	15.7
223.08118	50.4
223.09914	6.7
223.13348	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	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06015	1.8
59.01255	13.8
61.98698	2.1
64.90502	1.8
69.84549	3.5
69.84958	6.1
71.01266	8.2
73.02822	20.5
73.24151	1.9
78.01725	1.6
85.02837	4.0
89.02350	6.7
91.03873	9.4
98.19807	2.2
101.02346	5.0
108.02080	1.9
111.04397	2.0
121.02866	2.4
124.25281	1.6
131.03423	6.7
133.10165	2.6
135.11690	29.0
149.02287	3.5
151.03961	4.1
161.09628	5.0
179.10703	100.0
180.11000	6.3
193.01384	5.5
196.06259	2.4
208.03748	5.5
215.51189	2.1
223.02654	5.1
223.06117	3.8
223.08083	11.9
223.09993	2.5
223.13376	5.5
229.47301	2.0
232.81378	1.7
239.42575	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06706	0.6
59.01251	5.1
64.25539	0.6
65.01305	0.9
71.01228	0.7
71.54581	0.7
72.90789	0.5
73.02817	16.6
74.03162	0.7
83.04895	0.7
87.40302	0.5
90.12426	0.5
93.03342	1.2
95.04832	0.6
96.87479	0.6
105.04511	0.6
108.52599	0.6
112.08949	0.6
119.04930	0.7
123.04370	0.7
135.04436	1.9
137.02376	0.7
145.02826	0.7
156.05528	0.8
163.03903	0.8
163.11206	9.4
164.11592	0.7
165.01871	0.7
171.06638	1.1
171.92665	0.6
179.03455	1.0
181.12270	100.0
182.12572	8.1
195.02849	1.1
198.07907	0.6
199.06142	1.1
203.35326	0.6
207.03131	0.7
207.10161	1.2
210.05302	0.7
225.07596	1.5
225.11258	6.4
225.14764	0.7
226.07289	0.8
226.11330	0.8
241.16579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
59.01252	3.3
61.98699	0.6
65.01328	0.3
69.27892	0.9
69.28297	2.2
73.02821	24.4
83.04906	0.5
93.03335	0.6
95.04900	1.7
96.73768	0.4
97.06465	0.4
103.64442	0.3
107.04944	0.5
113.05978	1.1
125.02514	0.4
137.02367	0.6
143.31195	0.4
156.05627	0.6
158.63023	0.4
163.11211	12.4
164.11517	0.8
165.01808	0.5
171.06758	0.5
172.05122	0.5
180.05719	1.4
181.06529	1.4
181.12271	100.0
182.12602	9.0
183.04419	1.1
198.07823	0.8
199.06219	0.5
207.10159	2.0
225.05600	6.8
225.07631	0.6
225.09357	0.3
225.11287	8.8
226.05719	0.8
226.11641	1.1
240.84512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02121	0.5
57.03313	0.7
57.95681	0.5
59.01260	2.7
59.81417	0.5
59.99394	0.5
61.64307	0.5
61.98688	0.9
62.10830	0.5
69.45476	3.6
73.02820	24.3
83.65149	0.5
86.37210	0.6
93.03314	0.8
93.32679	0.5
95.04911	1.6
109.06503	1.2
141.01768	0.7
148.89142	0.5
163.11195	10.3
164.11452	0.7
172.05013	0.6
179.06984	0.7
181.12259	100.0
182.12601	9.4
183.06601	0.8
198.07838	0.6
207.06540	1.7
207.10202	3.3
208.10716	0.6
225.07620	5.3
225.11218	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.7
61.98711	11.1
70.80650	1.5
73.02818	17.8
74.13163	0.7
84.26423	0.6
85.02776	0.6
90.57050	0.6
95.04927	1.1
97.06477	0.8
101.02330	0.9
109.02819	0.9
109.06478	1.0
123.04388	0.8
139.03893	1.0
151.03889	0.7
163.11200	10.9
164.11537	1.3
165.01839	0.9
178.63515	0.6
181.12263	100.0
182.12619	10.0
193.98637	0.7
207.10194	1.8
210.05251	0.9
225.07675	1.8
225.11229	9.2
225.92587	3.2
226.11560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
56.11793	0.4
59.01255	2.3
61.98708	4.9
65.01338	0.4
68.03682	0.3
69.03278	0.4
69.11495	0.3
70.15488	0.4
70.93591	0.8
71.01229	0.5
73.02821	21.9
74.03135	0.3
89.17747	0.4
95.04888	1.2
109.06454	1.4
109.91380	0.3
113.05972	0.7
137.02234	0.5
145.10117	0.5
157.05057	0.6
163.11197	10.0
164.11560	1.1
165.01964	0.5
168.33803	0.4
171.06624	0.5
181.12265	100.0
182.11050	0.7
182.12607	9.7
192.75697	0.4
195.02805	0.5
198.07800	0.6
199.06158	0.5
201.00323	0.4
207.10170	4.1
210.05339	0.5
225.07533	0.9
225.09259	0.7
225.11267	7.8
225.14734	0.6
225.92616	1.7
226.07222	0.5
226.11453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.01371	0.4
57.03318	0.5
65.01315	0.8
71.04921	0.6
80.02556	1.7
81.03339	2.4
83.03137	0.4
83.04905	7.5
84.02043	3.5
95.04901	1.1
109.06485	0.7
121.06621	0.4
125.05965	0.8
135.08104	0.8
147.11728	0.6
163.11220	6.7
164.11491	0.9
165.12791	4.5
173.09590	0.4
181.12204	1.1
183.13811	2.2
184.14188	0.5
191.10750	1.5
199.13353	0.4
209.11789	100.0
210.12138	9.3
215.15930	0.3
227.07211	0.8
227.09276	0.6
227.12830	4.8
227.16489	0.4
227.20175	1.2
228.08917	0.5
228.13237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
65.01328	0.8
69.44714	3.4
71.04913	0.7
80.02562	2.0
81.03327	1.6
83.04906	7.2
84.02039	4.5
89.38483	0.5
95.04900	0.9
97.06490	0.5
103.85388	0.5
107.11506	0.5
125.05976	0.8
125.09592	0.7
135.08043	1.1
163.11205	7.2
164.11496	0.6
165.12785	5.0
181.12294	0.9
183.13824	2.9
184.14035	0.6
191.10657	1.3
209.11778	100.0
210.12120	10.5
227.07085	0.9
227.12787	4.2
227.20154	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	230.0666
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
59.01250	7.1
66.03374	1.7
69.03330	1.2
69.59367	6.6
71.01264	5.9
73.02821	8.9
85.02841	3.8
87.00757	29.1
90.03387	1.7
94.02860	2.4
95.04968	1.4
96.04477	2.1
97.02832	3.6
99.00728	1.8
99.04373	2.0
106.16938	1.2
106.97889	1.1
108.04410	5.8
109.02850	4.8
111.04370	1.6
112.03931	1.3
113.02353	1.3
121.02851	2.7
123.04402	4.9
124.03947	8.5
125.02315	6.2
126.05527	1.6
127.03920	2.7
132.04475	10.9
136.03949	3.4
139.03911	5.2
140.03458	5.3
148.03973	5.2
150.05571	6.2
152.03453	5.3
157.04956	2.0
159.80640	1.2
161.31708	1.2
166.05055	6.7
170.04546	8.0
171.02907	4.8
176.03444	1.2
184.06035	1.3
186.07660	3.4
194.04555	1.7
212.05571	2.7
230.06676	100.0
231.07002	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
59.01255	100.0
60.01584	1.3
60.99197	0.9
62.94148	0.6
65.20765	0.6
67.01766	2.5
68.99683	1.0
69.03332	1.8
69.98338	2.6
71.01252	6.5
71.04905	1.9
73.02823	6.9
74.02328	0.6
81.03333	1.5
82.05015	0.6
83.01273	1.7
83.04914	1.6
85.02827	4.5
86.02359	1.7
87.00751	7.5
93.03347	15.8
94.02834	0.6
96.95906	2.6
98.19735	0.8
99.00764	2.3
99.04382	1.3
101.02315	1.5
104.03419	10.2
104.72955	0.6
109.02872	1.6
110.02380	4.2
111.00756	2.7
111.04401	6.4
112.00328	1.0
112.03954	1.9
112.34910	0.6
113.02369	0.7
123.04424	2.1
127.03894	0.8
129.01830	5.2
130.01334	1.7
135.04390	1.1
136.03937	2.2
137.02304	0.7
146.08147	1.4
153.05499	0.8
154.05020	1.2
155.03407	2.7
159.06572	4.3
173.04483	20.4
174.04860	1.0
191.05598	2.1
216.05128	2.2
233.04591	1.4
233.06583	17.9
233.10388	2.6
233.15440	40.5
234.06139	8.1
234.09766	12.3
234.15692	3.1
244.35970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81783	0.3
52.93748	0.2
57.03327	1.2
58.02847	0.3
59.01258	100.0
60.01585	1.8
60.99171	0.3
67.01760	1.7
69.03352	1.1
69.83949	1.1
71.01260	3.5
71.04905	0.7
72.99198	0.6
73.02834	2.0
74.02361	0.4
80.96386	0.4
81.03345	1.1
83.01269	0.6
83.04910	1.2
85.02829	2.5
86.02366	0.8
87.00765	5.7
93.03347	12.2
94.03700	0.5
95.04912	0.3
96.95908	0.9
98.02400	0.3
99.00770	1.4
99.04439	0.6
100.03928	0.5
100.07582	0.4
100.48187	0.3
101.02354	0.7
104.03425	6.4
107.04896	0.3
108.04481	0.4
109.02832	0.7
110.02386	2.3
111.00775	1.6
111.04418	5.6
112.00286	0.3
112.03956	1.5
113.02351	0.6
118.11433	0.3
123.04432	1.5
126.05494	0.5
127.03907	1.1
128.03448	0.5
129.01836	2.1
130.01347	0.7
132.03011	0.3
135.04414	0.7
136.03943	1.1
137.02368	1.2
141.05496	0.3
143.03415	0.4
145.01349	0.7
146.08101	0.8
151.86368	0.3
153.05423	0.7
154.05002	0.6
155.03433	2.8
156.02888	0.5
158.08119	1.2
159.06525	0.7
171.03073	0.3
173.04494	17.3
174.04942	1.3
185.04501	0.4
188.09204	1.1
189.07579	0.3
190.07114	0.7
191.05576	1.7
198.04022	0.4
203.05560	0.3
205.02837	0.3
215.05588	0.8
216.05043	1.8
233.04832	0.6
233.06642	17.3
233.15485	7.3
233.17723	0.3
234.06253	5.9
234.09819	8.3
234.15826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1027
Annotation	ascr#11
Peak:m/z	Relative Intensity
52.91154	0.4
55.01751	1.6
57.03305	0.8
57.86561	0.5
59.01252	16.1
60.99196	0.5
64.46004	0.5
71.01252	1.1
71.41981	0.6
73.02821	100.0
74.03149	2.3
79.05401	0.8
83.04863	0.5
85.02821	10.9
93.03344	5.1
97.06466	1.9
100.75734	0.5
102.23606	0.5
104.53965	0.5
109.02891	0.6
111.04404	0.6
113.28305	0.4
127.79284	0.4
129.05466	1.6
141.05501	6.0
141.09070	0.8
153.09059	1.2
159.06543	70.9
160.06894	4.4
171.10179	7.0
173.04471	4.7
206.23207	0.5
215.09213	7.7
233.04565	1.0
233.06480	1.4
233.08540	0.6
233.10284	21.1
233.15417	37.1
234.07692	0.5
234.10648	1.0
234.15764	4.1
236.44650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.0
59.96612	0.3
60.97385	0.5
67.01755	0.3
71.25224	0.3
71.92664	0.2
74.98525	0.4
74.98949	8.2
75.96117	0.4
75.98920	0.3
77.08431	0.3
91.02097	1.0
92.83484	0.3
93.00018	3.9
93.03345	0.8
94.71542	0.3
118.96172	0.9
126.03256	0.3
133.98473	0.3
134.99300	9.0
135.99268	0.6
136.97223	3.1
143.05202	0.4
149.00871	78.9
150.00830	5.2
150.98756	1.4
152.96786	0.4
159.08389	2.6
159.34392	0.3
160.08759	0.3
161.06326	4.5
167.01958	0.5
173.04466	1.0
204.90759	0.3
215.05641	1.1
217.07172	100.0
218.07323	11.6
233.10312	85.9
234.10463	12.0
234.15787	0.5
235.08347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1699
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
59.01248	5.4
59.98409	4.3
61.98733	0.8
71.01244	2.4
73.02822	1.2
85.02814	2.4
94.02851	1.0
98.20583	1.3
99.04407	6.1
101.02290	1.6
113.02310	0.7
123.04391	0.8
148.05231	0.8
163.00325	0.7
163.03967	0.9
191.07072	1.7
191.10764	0.9
192.50554	0.7
229.66942	0.8
235.06076	2.2
235.17001	100.0
236.17322	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
61.98698	0.8
70.33730	0.2
70.67347	0.4
71.01251	0.4
73.02819	0.2
85.02830	0.3
111.04424	0.3
121.02779	0.3
134.03627	0.7
135.04463	0.5
136.05197	0.7
148.05203	9.9
149.05763	0.8
149.09592	1.6
151.07610	0.3
159.08002	0.2
162.06770	0.4
163.36382	0.2
175.07532	0.5
176.08330	0.9
177.09132	46.0
178.09491	3.8
190.09933	1.7
191.07121	0.2
191.10715	0.9
192.11491	34.9
193.11859	3.6
201.09171	0.4
203.07082	0.7
206.09537	0.3
217.08626	3.6
218.09427	8.8
218.99286	0.2
219.09843	0.8
236.10506	100.0
237.10884	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	237.1857
Annotation	Hanamyol
Peak:m/z	Relative Intensity
59.01244	1.4
59.44581	0.5
66.25819	0.5
70.44965	1.5
71.01259	0.8
82.97313	0.5
85.02818	0.8
89.86746	0.4
97.06490	0.7
98.19923	0.6
101.02311	1.1
146.25345	0.4
153.32964	0.4
218.99403	0.8
219.17470	0.8
237.03951	0.6
237.18565	100.0
238.18916	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	239.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61524	0.3
54.33842	0.3
57.75852	0.2
59.01254	4.4
59.96594	0.7
65.57144	0.3
69.37874	0.3
70.53499	0.8
74.98948	13.1
75.98920	0.3
78.78213	0.3
81.92219	0.3
87.00746	0.7
91.01533	0.6
91.02088	11.3
93.00014	4.5
98.20213	0.5
119.06460	0.3
149.00882	5.3
150.00925	0.3
150.98804	0.4
161.04465	0.6
179.05508	3.3
187.14561	0.3
188.36327	0.3
206.99698	3.3
207.99692	0.3
223.02792	100.0
224.02820	12.6
239.05978	0.4
241.03928	2.1
242.70663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.37549	1.1
57.03315	2.2
59.01253	66.4
60.01579	2.1
62.83830	0.9
69.22485	9.5
73.02821	4.1
81.22891	1.0
82.02866	2.4
83.04880	1.5
110.02363	3.4
118.13157	1.1
120.05479	1.3
137.09576	1.3
139.11195	48.7
140.11505	3.1
163.11272	1.8
165.09192	2.2
181.12273	26.3
182.12567	2.7
183.10207	60.3
184.10535	3.7
199.11688	1.7
199.13361	14.8
200.05693	1.4
207.10268	1.5
225.11279	20.6
243.02892	2.3
243.06471	3.6
243.12364	100.0
244.12709	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	45.0
61.98716	0.6
68.78694	0.5
69.46833	3.2
78.98036	0.5
123.50665	0.5
127.11181	5.5
139.11201	2.1
155.10669	2.2
157.12253	19.4
158.03354	0.5
158.12581	1.4
185.11763	15.1
186.12027	1.0
203.12828	100.0
204.13199	7.1
245.01021	0.5
245.04532	1.0
245.08134	1.8
245.13895	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	246.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.6
58.02835	3.3
59.01255	20.9
60.55960	3.5
62.98499	3.1
69.03337	12.5
69.79138	13.2
69.79523	4.7
71.01252	27.0
72.99187	7.8
73.02822	40.7
76.87648	3.5
78.95779	51.3
81.03323	6.2
82.02870	5.6
83.01253	5.2
83.04892	3.7
84.00800	5.7
85.02821	42.4
87.00755	73.8
93.03336	14.9
95.01304	3.9
96.04429	12.8
96.96856	4.8
97.02831	17.2
98.19794	5.8
99.04415	4.4
99.13344	3.2
100.38418	3.9
101.02330	3.7
107.04916	3.6
109.02814	7.6
110.06097	3.9
111.04427	20.3
112.03947	3.8
113.02352	25.4
115.03867	8.3
121.02866	18.4
122.05999	18.9
123.04401	8.4
124.03907	4.6
125.02359	10.9
127.03929	4.9
129.01875	9.6
137.02335	4.3
139.03908	43.9
140.07100	8.8
142.04996	4.4
148.03993	4.6
152.99519	19.1
153.99861	16.1
155.03421	5.1
157.04993	33.1
158.08110	17.1
166.05025	11.9
171.00592	5.7
172.00873	9.2
173.04471	7.1
175.05986	6.8
183.02937	4.6
186.04048	4.5
186.07793	3.4
201.03996	11.5
202.07088	5.4
214.22858	3.7
219.05057	41.7
220.30785	3.3
228.05031	7.0
246.04004	5.7
246.06380	100.0
246.09976	20.7
247.06360	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	247.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14108	0.5
57.03331	0.8
59.01234	1.0
59.29445	0.5
60.99178	3.4
67.01760	11.4
69.03323	1.6
70.30102	0.5
71.01261	3.4
71.53547	0.9
72.99179	100.0
73.99527	1.9
81.03327	1.9
83.04909	1.3
85.02811	0.7
87.00745	15.1
93.03334	60.9
94.03666	2.3
99.00750	1.1
99.88093	0.5
109.02804	0.6
109.79281	0.5
111.04397	8.1
120.88768	0.6
129.01817	2.3
155.03448	2.5
173.04466	55.9
174.04810	2.4
191.05553	1.7
195.36902	0.5
215.19861	0.5
247.04541	13.2
261.74692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.6
59.01240	2.3
60.99177	2.7
61.76871	1.6
67.01768	9.1
71.01254	6.8
71.09276	3.1
72.99187	100.0
75.31503	1.7
79.44743	1.4
81.03358	1.3
85.02879	1.9
87.00766	13.7
92.57825	1.5
93.03336	56.4
94.03677	4.3
109.02837	2.4
111.04391	11.3
115.03931	2.5
129.01807	2.0
155.03419	2.1
173.04477	69.8
174.04784	3.1
191.05617	2.0
200.11572	1.6
247.04485	17.2
247.09732	2.4
248.04433	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.59880	0.1
71.01257	0.5
71.54533	0.2
73.02843	0.1
95.11510	0.1
103.03844	0.2
104.09306	0.1
119.04939	0.3
121.06470	0.3
167.97227	0.1
173.09618	0.1
179.06981	0.2
184.00122	0.9
203.14349	6.9
204.14653	0.8
205.15852	0.3
220.17033	0.3
231.13942	0.6
247.13431	7.0
247.17009	100.0
248.07983	0.7
248.13751	0.9
248.17349	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	251.1651
Annotation	Hebelophyllene B
Peak:m/z	Relative Intensity
57.03327	15.5
57.14116	0.7
59.01250	4.5
59.98389	1.4
60.99175	1.1
61.98692	0.7
62.01510	0.7
65.64496	0.8
69.03342	1.1
70.80109	0.7
71.01247	2.5
71.04870	0.8
71.54433	1.0
77.25791	0.8
83.04903	2.1
84.99496	0.7
85.02817	1.4
93.03323	0.8
94.62020	0.8
97.06463	1.4
99.04399	36.5
100.04768	1.0
101.02342	1.5
107.04922	1.3
109.06460	0.9
113.02376	0.9
119.84853	0.7
121.02840	1.4
123.08047	1.8
125.09657	1.0
128.52652	0.8
137.06047	0.8
161.04491	0.8
184.19748	0.8
189.16400	2.4
191.14346	15.1
192.14662	1.5
193.08780	1.1
193.12265	10.1
207.17468	4.4
233.15450	15.7
234.15797	2.0
251.09343	1.9
251.16530	100.0
252.16843	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	257.0819
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
54.03962	0.8
56.07577	0.9
59.01252	1.1
60.60773	0.8
61.98697	4.8
65.03815	1.9
69.82349	4.4
73.02823	5.0
79.01746	0.9
81.03325	1.3
83.04893	2.4
93.03336	9.2
95.01243	1.4
95.04897	1.0
96.95908	4.5
98.19872	1.1
99.00782	1.1
101.79741	0.8
106.04122	22.3
107.04912	54.2
108.02065	14.8
108.05231	1.9
109.02842	1.7
111.04410	0.9
117.13731	0.9
121.02840	12.2
125.02325	3.9
129.17828	0.8
133.02916	1.0
138.03099	3.3
151.03893	3.0
155.10757	1.1
171.08012	2.1
195.17491	1.0
203.05708	1.0
211.07602	0.8
213.09158	76.0
214.09468	6.2
217.06613	0.9
239.16409	1.1
256.23599	5.3
257.08163	100.0
257.17545	3.8
257.23892	3.1
258.08533	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	259.0222
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
57.03336	0.6
59.01270	0.6
65.57616	0.4
71.01276	1.0
71.53287	0.4
72.04405	0.8
74.07473	0.5
78.42891	0.5
78.95779	76.7
79.95602	0.8
82.02872	2.9
83.01247	0.8
84.04428	0.5
85.02835	0.6
90.30400	0.5
96.95942	9.3
96.96843	100.0
98.02344	1.1
99.00749	0.7
100.03907	1.1
101.02313	0.7
124.03867	0.5
128.38097	0.4
130.23140	0.4
131.46344	0.4
132.06583	0.8
138.96991	0.9
138.97923	5.1
144.73665	0.5
152.07082	0.6
153.07419	1.8
168.99065	3.1
171.01125	0.5
198.07628	0.6
199.00287	2.3
241.01154	1.7
242.06769	0.8
259.02161	12.5
259.06070	0.6
260.07730	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	259.0226
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
54.13503	0.1
59.01274	0.2
59.86895	0.1
66.48284	0.2
69.85292	0.7
71.01251	0.3
78.95785	68.1
91.13235	0.2
96.96851	100.0
98.19842	0.2
101.02338	0.8
108.11965	0.2
113.02293	0.2
121.46442	0.2
131.03476	0.2
138.97939	6.4
150.97940	0.3
168.99010	2.7
198.90498	1.4
199.00095	3.3
205.92903	0.1
213.05232	0.2
214.93713	0.7
216.90532	1.1
223.00159	0.4
234.91696	0.3
240.85139	0.2
240.91608	2.0
241.01210	1.7
241.91776	0.2
258.92715	2.5
259.02264	13.9
260.02502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.7
77.89196	0.6
78.26825	0.7
84.05611	0.7
119.27386	0.7
121.45644	0.8
127.11152	1.4
137.09622	7.8
153.09103	1.3
155.10693	100.0
156.11021	4.6
171.04469	0.8
171.10190	23.1
171.11650	1.4
181.08646	2.3
199.09712	33.6
200.10103	2.6
217.10774	94.0
218.11093	5.6
221.93190	0.8
229.20868	0.7
231.02930	1.1
238.50124	0.8
259.02466	3.7
259.11850	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.7
57.03319	2.9
59.01246	2.7
69.39190	7.4
71.01253	6.4
71.04902	1.4
71.28668	0.9
77.38806	0.8
79.05413	1.5
83.04896	3.8
85.02829	1.3
93.03333	2.0
93.06954	1.3
95.04899	2.2
96.66887	1.0
97.02838	10.9
97.06483	1.3
100.07887	0.8
105.06968	2.3
107.04893	3.3
108.05701	5.8
109.02835	7.1
109.06460	3.5
111.04398	13.1
111.08059	1.5
113.05972	10.5
119.04900	1.2
119.08533	3.5
121.06467	5.0
122.03640	12.3
123.04479	1.5
123.08058	7.5
125.05981	15.3
125.09583	1.5
135.04405	2.5
135.08031	2.6
136.05209	14.6
137.05986	6.5
137.09595	1.0
138.06781	18.8
139.07565	34.5
140.07909	1.3
147.08084	2.0
148.05188	8.8
149.02339	1.4
149.05968	3.8
151.07568	74.5
152.04744	8.2
152.08344	41.5
153.09135	10.2
154.09454	1.1
156.79042	0.9
159.11713	4.1
161.02361	2.8
161.09651	9.2
163.07549	14.9
164.08130	1.2
167.07121	4.8
171.07985	1.7
175.07629	1.7
177.12856	1.1
183.02887	1.0
183.11751	1.1
185.09686	2.1
186.10414	2.2
188.08340	2.5
189.01859	2.2
189.09146	7.4
191.05606	1.4
201.12788	32.7
202.13069	1.9
203.10728	23.2
204.11499	64.5
205.11821	4.9
206.14217	1.0
219.06580	4.4
219.13858	100.0
220.14180	7.0
248.10471	1.5
254.61272	1.0
263.05630	2.4
263.10071	1.7
263.12881	13.6
283.01208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
50.83406	1.1
59.01242	3.3
71.01267	2.1
71.54338	1.4
74.56481	1.0
81.81246	1.0
83.04906	1.1
109.02850	2.2
109.06464	1.6
111.04398	1.5
119.08565	2.4
121.06422	1.2
122.03594	1.3
125.05978	4.3
131.68486	1.0
135.08073	2.3
136.05179	6.5
139.07556	1.7
148.05188	2.5
151.07549	4.1
152.08333	3.6
161.09639	3.0
163.07634	1.1
167.73517	1.4
171.08054	1.2
183.11864	1.1
185.09648	5.2
186.10442	1.2
188.08337	1.9
189.09119	6.4
201.12822	16.8
202.13197	1.0
203.10719	20.8
204.11497	56.8
205.11850	3.3
219.13861	43.2
220.14192	2.3
263.12881	100.0
264.13220	7.8
266.83859	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03313	3.0
57.17889	0.6
59.01241	3.1
67.01746	0.9
70.94367	1.6
71.01245	5.1
71.04884	1.5
79.05405	1.4
80.02572	0.8
83.04900	3.6
85.02817	1.8
89.62816	0.6
93.03346	1.2
93.06957	1.5
95.04908	3.0
97.02823	10.8
97.06465	1.5
99.04433	0.7
105.06978	3.6
107.04906	3.1
108.02054	1.1
108.05682	6.8
109.02834	7.1
109.06498	3.7
111.04406	15.2
111.08012	1.7
113.05962	8.7
119.04877	0.9
119.08556	6.1
121.06503	3.9
122.03622	14.5
123.04369	2.1
123.08067	7.7
125.05983	18.4
125.09583	1.1
126.06403	0.8
130.59882	0.7
135.08066	3.6
136.04141	1.0
136.05191	16.8
136.64331	0.6
137.05998	6.8
137.09572	1.4
138.06773	19.4
139.07558	39.2
140.07924	1.1
143.08514	0.8
144.04909	0.6
145.06479	0.9
147.08060	1.8
148.05197	8.7
149.06021	5.0
149.11565	0.8
151.07559	73.4
152.04713	8.6
152.08350	41.9
152.09628	1.4
153.09137	13.3
156.04218	0.8
158.20288	0.7
159.11725	5.1
161.09608	11.0
163.07561	14.7
164.08151	1.1
167.07059	4.9
170.05731	1.8
171.08070	1.4
175.07498	1.0
175.11211	1.1
177.12761	1.4
183.11732	0.8
185.09683	3.0
186.10403	2.6
188.08403	2.6
189.09152	8.5
189.12758	0.9
191.10640	0.7
191.14223	1.0
195.01956	0.7
196.07495	1.0
201.12785	37.3
202.13184	2.4
203.10713	27.5
203.12683	1.3
204.11494	70.0
205.11815	3.4
219.13853	100.0
220.14217	8.6
222.72531	0.7
245.11862	1.6
248.10490	1.4
263.09113	0.6
263.10095	1.0
263.12885	9.8
263.15558	1.1
263.16684	0.7
264.13202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0717
Annotation	Diaportinol
Peak:m/z	Relative Intensity
58.00476	0.6
59.01252	11.6
59.21495	0.3
66.23129	0.3
71.01253	3.6
72.99182	0.8
73.02801	0.4
83.01262	0.5
83.04948	0.3
89.02326	1.3
93.03342	0.8
95.01219	0.4
96.95878	0.7
101.02319	2.4
106.04106	0.5
109.79495	0.3
114.91394	0.3
117.03352	25.7
118.03699	1.1
119.04919	43.4
120.05228	1.6
121.02831	3.9
123.04458	1.0
131.04939	1.1
132.05707	5.2
133.02863	0.9
133.06500	19.8
134.03639	0.8
134.04594	0.4
134.06857	0.6
135.00749	0.5
135.04411	0.4
139.05124	0.3
145.02859	100.0
146.03194	4.8
147.04413	0.6
149.68396	0.3
153.09091	0.6
159.04459	1.1
160.05185	0.5
161.05997	40.5
162.03160	1.4
162.06335	2.6
163.03926	24.4
164.04248	1.6
167.03398	0.8
177.05511	0.9
178.06273	0.4
187.03979	3.2
187.71767	0.3
203.06989	0.3
205.05011	36.3
206.05348	2.0
235.65237	0.3
260.91666	0.3
265.07162	21.9
265.14487	0.9
266.07361	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	265.1081
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
55.01762	13.5
57.03328	12.9
57.03561	2.5
58.00457	2.6
59.01252	68.1
67.27261	2.4
69.03320	14.3
71.01244	4.7
71.04892	8.9
71.54520	4.5
73.02821	43.7
79.05392	4.7
81.06955	7.5
83.04906	8.8
85.02824	32.3
87.00745	6.3
87.04391	100.0
93.03311	3.6
93.07017	2.5
95.04910	6.5
96.95910	6.0
97.02827	19.2
97.06457	10.7
99.04414	12.5
107.04915	9.7
107.08569	14.6
109.06477	27.1
111.04404	5.2
113.02343	3.6
113.39534	2.3
115.03896	2.6
119.04919	3.8
120.05706	4.7
121.06490	10.5
123.04453	3.7
123.08038	4.8
125.05967	28.3
133.06502	5.5
135.04272	3.0
135.08061	27.1
146.07217	2.7
147.08060	6.2
149.09654	2.7
152.04666	2.7
157.10120	2.6
159.08087	21.7
159.11713	36.6
160.11934	3.0
161.09631	54.5
163.11179	5.1
163.51375	2.6
166.06226	2.9
175.11212	15.7
177.09145	4.8
177.12753	54.0
178.13057	2.7
191.10735	3.0
193.12288	13.7
203.10690	10.4
205.08661	12.7
221.11772	10.3
221.15335	3.7
265.08191	2.6
265.10794	21.3
265.14081	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	265.1445
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
53.15695	1.0
57.03326	32.4
59.01233	4.5
60.99169	1.5
63.61438	1.3
71.01254	2.2
75.88777	1.0
81.03325	1.6
83.04900	16.9
93.03337	1.9
95.04900	3.4
96.95895	4.3
97.02815	4.1
97.06475	27.2
101.02318	1.8
103.20877	1.1
105.06960	2.3
107.04890	2.1
109.02811	2.9
109.06464	4.0
111.00779	1.5
111.04403	66.3
113.71303	1.1
117.03337	1.8
119.04893	2.9
119.08521	3.9
122.03623	1.7
123.04409	2.4
123.08051	2.5
125.05980	29.6
135.04420	3.0
135.08017	2.0
136.05177	1.5
137.05968	1.9
137.09616	3.0
138.06773	33.0
139.07474	4.1
145.02856	8.1
145.10117	11.3
146.10553	1.3
147.08058	2.5
149.09508	1.4
151.07553	3.3
152.08330	2.5
153.09123	100.0
154.09442	5.2
161.02335	1.7
161.05940	3.4
161.09677	1.3
163.03857	2.8
163.11185	2.1
165.09126	19.8
166.09694	1.3
177.12732	3.4
179.03477	1.4
179.10686	5.7
180.11150	1.2
187.11166	2.3
191.05513	1.3
201.12764	3.4
203.14365	47.9
204.14745	3.3
205.05031	2.6
206.13164	1.8
221.15404	32.6
245.08595	1.1
247.13251	1.8
250.12207	1.5
265.07169	5.9
265.11255	2.1
265.14435	49.4
266.14777	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	265.1445
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
53.96120	2.2
55.01764	11.0
57.03322	2.4
58.22344	2.5
59.01261	16.6
61.98707	2.6
71.01248	6.7
71.04904	8.5
73.02821	3.1
73.50767	2.1
77.85438	2.2
83.04900	100.0
84.05237	2.5
85.02851	4.5
89.02294	2.3
95.04898	12.2
96.95882	4.0
97.06483	6.3
101.02322	4.5
107.08552	28.4
110.19891	2.2
119.04922	2.9
119.08554	2.7
123.08031	2.1
125.09618	79.2
126.09911	3.5
134.04634	3.4
135.04417	6.8
137.09612	10.7
138.01389	2.0
144.30515	2.2
151.07503	2.6
153.09154	2.6
163.03960	4.1
169.08629	16.6
177.01817	3.3
177.05563	3.8
203.14371	34.7
221.15364	8.9
224.20856	2.5
233.06693	3.7
247.13419	2.8
265.10913	3.0
265.14441	12.2
274.73773	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	265.1446
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
52.40574	0.9
55.01762	1.0
57.03327	38.2
59.01249	2.5
60.99163	2.3
69.03335	1.0
69.45596	5.6
71.01239	1.2
71.75065	0.9
73.02834	1.6
78.39247	0.8
81.03361	0.8
83.04901	18.8
85.06483	1.0
93.03329	1.9
95.04910	4.9
96.95872	2.6
97.02835	3.5
97.06467	26.1
98.20476	2.2
101.19808	0.8
107.04927	1.4
109.02841	2.8
109.06497	6.6
111.04407	70.7
111.08067	1.1
112.04744	2.8
119.08572	4.3
121.06517	2.1
121.07462	0.9
122.03609	1.7
123.08043	1.9
125.05982	31.8
126.06406	1.7
135.08047	3.7
136.05199	2.0
136.16197	1.2
137.05959	1.0
137.09628	1.9
138.06767	41.9
139.07623	4.9
145.10139	11.0
147.08011	2.1
149.05998	1.5
149.09543	1.0
151.07535	5.1
151.11168	1.4
153.09120	100.0
154.09468	4.9
163.07573	0.9
163.11215	2.0
165.09120	20.7
166.09660	1.5
167.54875	1.1
177.12761	2.7
179.10721	7.9
187.11249	2.1
201.12753	2.4
203.14360	45.1
204.14687	3.6
206.13054	2.0
212.35600	0.9
221.15448	28.6
222.15720	2.2
247.13382	1.7
250.12105	2.1
256.14908	0.9
265.14429	46.9
266.14844	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97448	0.2
53.17023	0.3
58.96012	0.3
68.36364	0.2
71.25829	0.6
71.61131	0.2
79.95594	2.1
95.95120	0.6
96.95892	100.0
97.95877	0.3
121.00039	0.2
122.51540	0.3
141.21289	0.3
191.03427	0.3
201.79100	0.3
265.14774	75.8
266.15103	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	269.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47524	0.5
59.01245	0.6
60.19712	0.5
66.00214	0.5
69.32907	4.2
71.01283	0.5
87.00725	0.6
93.28696	0.5
106.67212	0.5
120.99548	100.0
121.99873	0.8
122.78865	0.6
134.16603	0.5
157.68040	0.5
181.03256	0.9
259.82364	0.6
269.04715	1.8
269.13974	0.8
269.21240	4.9
269.24713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0225
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
51.07312	1.2
51.62345	1.0
70.45098	1.3
70.45422	3.4
71.01231	2.5
78.95781	49.3
96.96846	100.0
98.20497	1.5
117.93122	1.2
125.02317	1.3
142.99770	9.9
170.69115	1.4
173.00851	2.6
184.14005	1.2
209.99324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01256	0.5
60.32831	0.5
61.98689	0.5
63.02270	12.3
65.00198	21.1
68.99690	0.5
71.02522	0.9
74.57560	0.5
76.28371	0.5
83.01257	14.0
92.85507	0.4
93.03341	14.6
95.01294	0.5
96.21693	0.5
107.01276	29.4
108.02152	2.4
108.99113	0.5
109.02845	2.0
119.04919	87.6
120.04536	0.5
120.05246	2.9
121.02843	0.7
124.33557	0.5
125.02346	4.2
137.02303	1.1
139.36124	0.5
143.05002	1.0
143.12503	0.6
145.02844	2.0
151.00278	75.8
152.00620	2.3
161.06007	1.3
165.01819	4.1
169.01349	5.2
173.04468	0.5
177.01849	11.8
178.02159	0.6
185.06010	1.7
187.03973	4.1
227.07059	1.0
229.05022	0.6
271.06119	100.0
271.22742	2.1
272.06436	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01259	0.6
63.02266	10.5
65.00196	22.0
68.99689	1.0
70.87978	1.1
79.05423	0.7
83.01259	15.8
87.61642	0.6
93.03340	16.1
98.66764	0.5
107.01277	34.0
108.02052	1.9
108.99210	0.6
109.02854	3.4
117.03346	1.4
119.04918	97.0
120.05254	3.5
121.02821	1.5
123.04400	0.8
125.02338	6.2
133.02895	0.7
137.02371	1.2
143.04932	2.6
145.02838	3.5
151.00275	93.7
152.00644	2.3
157.06444	1.2
161.06035	3.2
165.01839	3.8
165.05504	1.2
169.01329	6.4
171.04408	0.6
174.01602	1.0
177.01871	11.5
184.04927	1.2
185.05997	6.5
187.03963	4.7
188.04395	0.7
195.04530	2.3
197.06006	4.4
199.03954	1.1
212.04807	1.3
213.05513	9.9
214.06026	0.7
223.04025	1.4
224.04684	2.1
225.05515	7.2
226.06215	1.3
227.03395	1.0
227.07082	4.1
229.05031	0.7
240.04221	1.0
240.07916	4.3
241.04997	24.3
242.05351	1.8
253.05057	1.0
255.06532	0.8
256.07309	18.4
257.07690	1.1
271.02701	7.7
271.06128	100.0
271.09625	13.3
271.22824	2.4
272.06461	7.8
272.09732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17506	0.4
56.90408	0.3
57.03330	2.7
59.01254	0.8
63.02270	0.5
65.00193	5.0
68.99691	0.6
69.03338	0.4
69.43555	2.6
76.20558	0.4
81.03334	31.8
81.81226	0.4
82.03664	0.8
83.01257	9.6
93.03337	10.8
95.01288	0.4
95.04922	1.3
99.04428	0.7
99.81183	0.4
107.01260	3.2
119.04924	23.9
120.05261	1.0
121.02863	0.5
122.03572	0.4
123.04419	49.6
124.04765	2.1
125.02345	13.4
126.02637	0.4
132.35414	0.3
135.04494	1.8
145.06496	0.5
147.04430	0.9
149.02356	1.4
151.00288	5.2
159.04468	0.4
166.02626	0.4
167.03424	100.0
168.03766	3.8
169.06479	0.6
171.04411	0.8
179.03432	8.7
180.03729	0.5
185.05975	0.4
186.13193	0.4
187.07625	0.8
189.05504	4.1
190.05856	0.5
211.07581	1.1
229.08614	1.5
245.04530	0.6
255.06615	0.7
273.07690	61.3
274.08038	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.129
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
58.00453	8.5
59.01250	4.5
69.44868	13.8
71.01232	3.0
81.81468	2.2
82.84192	2.0
83.04885	2.6
86.68185	2.0
87.04376	3.7
95.04900	3.9
97.06461	6.6
99.04388	4.8
113.05959	10.0
117.17612	2.1
123.79671	2.2
125.05975	5.8
169.71355	1.9
177.01875	2.4
185.94751	2.0
203.14264	3.7
231.13737	3.2
245.04446	3.8
275.05444	2.5
275.09683	6.9
275.12897	100.0
276.13205	8.7
280.43204	2.4
294.76306	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	277.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.6
61.36006	1.4
63.67304	1.5
71.01258	2.4
71.24274	2.0
71.24611	2.1
78.95786	43.4
87.00765	4.1
96.96850	100.0
119.10201	1.5
121.02881	2.0
149.85576	1.5
151.72551	1.5
252.41498	1.5
277.21750	14.7
278.05307	1.7
290.14801	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	277.1447
Annotation	Ivangulin
Peak:m/z	Relative Intensity
55.01754	4.7
56.64725	3.3
59.01251	20.7
61.98706	3.3
69.51987	2.8
71.01234	7.0
71.53387	3.6
81.42438	2.8
82.42796	2.8
96.96814	3.0
97.02813	3.7
113.05963	7.8
115.02226	3.0
121.02847	6.1
121.06488	5.9
121.10104	6.4
123.04383	6.4
133.06480	4.1
147.08073	10.2
165.09090	7.0
175.07547	13.8
179.10675	15.4
199.11230	5.5
201.08975	2.9
201.12799	88.1
202.13113	6.0
205.15840	6.2
207.13843	11.7
217.06917	3.2
233.15463	35.6
245.11853	29.7
261.27298	3.1
270.80750	3.6
277.06998	6.5
277.14481	55.3
277.17599	6.1
277.18439	6.1
277.21725	100.0
278.21979	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.64865	0.3
59.01305	3.3
60.97419	0.4
71.01300	0.7
98.20549	1.1
102.38513	0.3
103.02151	0.5
121.03165	4.6
121.36369	0.3
146.99361	0.7
147.08363	5.8
149.00938	0.4
162.98865	0.4
165.00357	11.7
165.42162	0.3
166.00500	0.4
180.99931	1.2
189.04062	1.4
191.05579	11.0
192.05794	1.0
205.07227	1.7
205.15953	0.8
207.05144	0.8
217.07199	1.1
231.06721	0.4
231.08707	1.8
233.10304	100.0
234.10481	9.7
251.11395	0.5
259.15497	1.0
273.40057	0.4
277.16556	85.5
277.21188	14.5
278.16760	9.2
278.22018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01262	1.2
60.43485	0.5
71.02560	0.9
81.15397	0.5
89.34790	0.4
110.97482	0.5
113.24908	0.5
115.11615	0.5
206.69144	0.6
239.60486	0.5
259.20618	0.6
265.25595	0.6
277.21744	100.0
278.22095	10.3
279.69684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11831	0.6
57.03325	3.7
59.01244	1.5
61.98725	0.7
69.03308	1.0
69.38866	0.6
71.01247	1.8
71.53569	0.8
72.99162	0.8
85.02811	1.3
87.04391	16.7
93.03321	1.0
96.95881	1.4
97.02830	1.8
99.04417	1.0
101.02326	0.8
113.02303	0.7
115.03916	4.1
117.03351	12.3
117.05460	1.0
119.04920	73.2
120.05216	3.3
121.00428	0.6
125.06028	0.7
133.04967	77.2
134.05307	2.4
134.07625	0.7
136.05188	1.9
139.07555	1.1
145.02861	68.1
146.03194	3.1
151.07567	9.2
163.03926	100.0
164.04228	4.6
168.07829	2.3
169.08624	0.7
173.09622	0.9
175.11230	0.8
184.08798	1.9
187.11200	1.2
189.12782	1.0
199.11182	0.7
201.09209	0.9
205.12296	3.3
212.77391	0.7
217.12309	6.1
235.13452	0.9
279.08792	1.6
279.12439	1.6
279.23123	3.2
304.93152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
59.01231	1.3
67.13215	0.6
69.03340	0.7
69.24757	4.3
69.25172	1.6
70.65274	0.7
71.01241	1.0
85.02798	1.8
87.04393	13.1
93.03320	0.8
96.95909	1.9
97.02864	0.8
115.03889	3.2
117.03349	12.1
119.04919	70.4
120.05254	3.4
122.85677	0.7
133.04965	71.6
134.05287	2.0
139.07536	0.9
145.02856	63.0
146.03232	2.7
160.34357	0.8
163.03918	100.0
164.04259	5.4
279.08710	3.8
279.23306	1.8
288.79196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03322	11.9
59.01238	2.8
60.58656	0.6
61.04408	0.8
69.03327	1.5
69.28481	4.4
69.28895	1.5
71.01250	1.9
71.04874	0.8
73.02801	0.8
79.05492	0.6
83.04902	3.4
83.26791	0.8
85.02805	0.8
93.03329	0.8
94.04054	0.8
95.04897	3.5
96.95887	1.3
97.02832	9.5
97.06483	2.6
99.04392	1.3
107.04892	1.4
108.02073	0.8
109.02855	6.7
109.06470	8.2
111.04383	5.0
117.05439	0.7
119.08561	2.0
121.06477	5.5
122.03632	16.5
123.04401	2.7
123.08054	1.1
124.05196	20.9
125.05982	8.6
125.09607	1.4
135.04417	2.5
135.08055	1.6
136.05174	1.2
137.05988	15.3
137.09628	1.3
138.03188	0.8
139.07550	100.0
140.07881	4.2
142.02628	0.9
145.10153	1.2
147.08055	5.3
148.05214	0.8
153.05505	0.9
163.07558	2.6
163.11226	1.8
168.07835	29.3
169.08554	4.2
171.08090	3.0
175.11212	2.0
177.09126	1.1
177.12825	2.5
178.34485	0.7
180.07944	1.0
185.09654	1.2
187.11217	22.5
188.11563	1.4
189.09120	1.4
190.09937	5.6
205.12282	41.2
206.12640	2.2
207.13713	0.7
217.12315	2.6
231.10175	1.3
235.13306	5.7
249.11320	1.6
261.11438	0.8
279.12457	9.5
279.23288	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	279.1238
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
53.43443	1.2
55.01741	1.8
57.03325	8.0
59.01255	4.0
69.03314	3.2
69.42466	6.4
69.42870	3.2
71.01250	2.2
79.05419	2.1
81.03332	4.1
83.04892	4.7
83.75442	1.1
85.02858	1.2
86.87231	1.2
87.04407	6.4
88.44041	1.4
93.03317	1.9
93.80063	1.2
95.04886	2.8
96.31585	1.3
96.95856	1.9
97.02813	9.1
97.06468	1.9
99.04406	6.4
107.04948	3.7
109.02846	2.3
109.06494	2.0
111.04387	4.9
115.28641	1.1
117.03333	4.0
119.04923	19.4
121.06489	6.1
123.08081	3.0
124.22905	1.3
125.05984	10.4
127.52569	1.3
133.04976	22.3
135.04472	1.9
135.08047	2.1
136.05202	20.3
137.09601	3.1
139.07541	7.4
145.02863	21.3
147.08064	3.9
147.11736	2.3
149.05992	2.0
151.07556	100.0
151.11168	11.5
152.07869	4.8
158.07246	3.5
159.08112	1.7
161.06000	2.0
161.09590	1.6
162.06717	1.8
163.02560	1.7
163.03926	34.3
165.05478	2.1
165.09041	2.3
167.07007	4.0
168.07831	27.1
169.08658	11.2
171.08052	3.5
171.11711	5.9
173.09610	6.8
175.11188	3.8
178.25920	1.2
179.07040	5.5
179.10657	4.9
184.08847	17.4
185.09317	1.8
186.06770	1.4
187.07460	1.5
187.11180	14.8
189.09138	1.5
189.12776	12.8
190.09840	1.4
191.10715	3.3
192.11725	1.3
199.11214	12.4
200.11436	1.9
201.09106	8.4
202.09924	4.3
205.12289	39.2
206.12573	1.7
215.10683	5.8
217.12289	57.3
218.12579	4.9
235.13347	7.3
243.76709	1.3
261.11237	3.0
276.21533	1.4
279.09698	1.9
279.12485	15.4
279.23199	3.4
280.12811	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	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03328	17.1
59.01254	2.7
69.03311	1.8
70.40837	3.8
71.01255	3.1
76.42731	1.1
81.03345	2.5
83.04899	2.1
85.02828	1.6
86.85598	1.1
95.04900	3.6
97.02834	9.1
97.06476	2.4
99.04414	2.0
101.02251	1.4
107.04912	3.2
109.02844	7.6
109.06491	8.1
111.04408	5.6
115.18056	1.2
119.08564	1.5
121.06496	4.7
122.03632	19.1
123.04396	3.2
123.08002	1.9
124.05202	18.9
124.06079	1.9
125.05972	8.3
135.04404	3.1
135.08112	1.4
137.05991	15.7
139.07559	100.0
140.07886	4.0
147.08084	3.9
148.05086	1.3
149.06003	1.7
149.09590	1.7
163.03966	2.8
163.07571	3.3
163.11209	2.4
165.09143	1.4
168.06398	1.8
168.07851	35.0
169.08553	3.8
171.08086	3.9
172.08696	1.2
175.07727	1.4
177.12782	2.7
187.11234	23.4
189.09073	2.1
190.09908	6.2
205.12292	46.2
206.12680	3.1
217.12311	4.0
231.10286	1.6
235.13396	5.5
249.11282	4.2
279.12506	10.9
279.23212	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01233	0.9
62.91887	0.6
66.80367	0.6
70.54877	1.0
70.55228	1.0
75.58199	0.6
82.23049	0.6
118.78407	0.7
140.96553	0.7
279.23294	100.0
280.23627	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07356	1.6
59.01251	17.8
66.73802	1.6
71.01270	3.7
71.54155	2.2
72.99201	3.5
75.00753	28.5
77.07637	1.6
85.02829	1.8
87.00754	2.2
89.02341	2.1
96.95919	2.7
101.02352	1.8
111.04418	4.5
117.01830	3.1
119.04918	62.9
126.61053	1.5
135.02895	100.0
136.03241	2.9
136.05173	2.4
151.07564	6.3
161.04495	1.7
163.03922	75.7
164.04269	3.3
201.13000	1.9
237.14978	3.8
254.29651	1.8
281.14078	9.1
281.24878	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	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	14.0
68.59115	1.4
70.67352	3.6
71.01255	2.4
72.99167	1.4
75.00758	5.5
85.02855	1.2
93.03342	1.6
96.95907	2.9
101.02330	3.3
112.06648	1.3
117.01778	2.4
119.04922	71.7
120.05247	2.4
134.03694	3.0
135.02890	26.3
135.04463	1.9
136.51300	1.6
149.06041	1.9
161.04486	1.4
163.03925	100.0
164.04274	3.9
178.02626	1.9
185.54910	1.4
193.04979	3.6
237.14937	2.1
245.02115	1.5
281.13803	2.3
281.24585	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01772	2.7
57.03331	19.4
59.01249	27.1
65.03830	4.2
69.03339	2.2
69.27900	3.6
69.28311	12.7
71.01250	4.5
71.04897	3.0
72.17182	2.1
72.99171	2.8
75.00744	12.2
83.04898	17.5
85.02815	3.7
85.03339	2.0
87.00744	20.9
89.02342	3.7
93.03324	3.4
95.04890	6.7
96.95871	4.2
97.02857	3.0
101.02328	5.5
107.04939	2.7
109.06475	2.6
111.04411	9.6
111.08036	5.6
113.02318	2.1
113.06007	2.3
115.42446	1.8
118.56998	1.9
119.04906	17.4
119.08584	1.8
121.06497	11.3
123.08059	38.4
124.05195	3.5
124.08382	2.4
125.05885	2.0
125.09624	1.9
130.72571	2.0
135.02890	27.7
135.08022	2.1
137.09639	4.2
138.06818	4.1
139.07536	7.8
143.08476	2.5
145.10130	4.7
151.07552	7.5
153.09126	4.7
161.04495	3.8
163.03891	22.6
164.04294	3.0
169.08720	1.8
169.10143	5.7
171.11719	47.3
172.12082	2.7
175.11166	2.7
177.12857	1.9
189.12775	16.7
201.12770	21.2
207.13872	10.1
219.13858	7.7
237.14943	67.3
238.15186	4.0
281.07031	3.5
281.13986	100.0
281.24911	4.6
282.14282	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.79197	0.5
56.17496	0.6
56.21526	0.6
56.58693	0.4
59.01254	1.4
66.92184	0.5
69.81032	0.7
69.81432	1.8
71.01212	0.5
77.97169	0.5
85.93676	0.5
89.02259	0.7
98.19948	1.3
98.20494	0.5
107.04912	100.0
108.05269	2.6
116.22893	0.6
123.04386	0.8
153.19522	0.6
163.11200	93.9
164.11537	4.9
268.03879	0.6
283.17047	90.3
283.22968	2.0
283.26401	46.9
284.17383	8.6
284.26648	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	285.0407
Annotation	Kaempferol
Peak:m/z	Relative Intensity
50.19759	0.2
56.53204	0.2
59.01246	0.3
63.02256	1.1
65.00198	0.9
67.01795	0.3
71.28416	0.2
79.01775	0.3
79.27897	0.2
83.01263	1.0
83.04864	0.2
91.01775	0.4
93.03327	3.0
95.01260	0.6
97.06773	0.2
107.00563	0.3
107.01250	1.6
108.02080	0.5
109.02847	1.0
116.29138	0.2
117.02655	0.3
117.03313	1.3
119.01271	0.3
123.00755	0.3
123.04390	0.6
130.04179	0.3
131.04927	0.4
133.02879	0.6
135.00783	0.6
137.02328	0.9
143.04944	1.6
145.02835	1.4
151.00282	1.8
154.04132	1.0
155.04956	0.5
156.05728	0.4
157.02893	0.6
157.06490	1.0
159.04462	1.6
161.02379	0.7
163.00288	1.3
164.01079	0.4
165.01826	0.4
167.04922	0.4
168.05757	0.3
169.01273	0.4
169.06523	1.1
171.04395	1.0
173.02322	0.6
183.04451	0.3
184.05138	0.6
185.06015	2.4
187.03995	2.0
195.04445	0.3
198.03140	0.3
201.05531	0.6
211.03931	1.5
212.04674	0.4
213.05513	1.0
214.02663	0.6
215.03384	0.7
227.03497	0.8
229.05003	1.7
239.03441	2.0
240.04225	0.4
241.04965	0.4
243.02983	0.6
255.02966	0.7
257.04544	1.1
268.03793	0.3
284.26770	2.6
285.04041	100.0
285.27005	1.1
286.04404	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	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
66.83964	1.4
71.53529	1.5
78.95774	9.0
80.65527	1.2
107.04279	1.4
108.02056	100.0
109.02892	14.8
110.98409	11.1
123.04501	1.8
128.95523	1.5
135.00737	1.3
142.99805	2.7
152.01064	62.0
153.01842	24.3
163.03856	1.8
284.26828	3.7
285.03302	3.1
285.06216	49.0
285.20798	1.9
286.06537	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01252	0.8
62.48088	0.3
70.02852	1.4
71.21183	0.4
74.05998	1.9
78.26942	0.3
87.76358	0.3
89.37369	0.3
94.73285	0.3
118.04993	1.5
125.02323	0.6
136.55846	0.3
180.25731	0.3
240.23299	2.7
241.23462	0.4
242.21086	1.6
268.22791	1.4
284.22281	0.5
286.23883	100.0
287.24255	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01261	0.4
59.13515	0.2
61.98705	0.3
63.19601	0.2
71.54382	0.4
81.03328	1.4
92.04939	0.7
93.03338	1.3
107.03682	0.6
108.02061	0.5
108.04433	3.9
109.02843	5.2
109.04830	0.2
121.02869	0.5
124.01575	0.6
125.02316	0.2
134.02380	40.7
135.03200	7.6
136.03947	39.5
137.02344	1.7
137.04309	1.3
148.03918	1.0
149.04742	1.3
176.03429	5.2
177.04106	0.6
181.03754	0.5
190.05046	0.7
199.63998	0.2
204.06667	0.3
212.41185	0.3
251.02760	0.3
288.16061	100.0
289.07214	0.9
289.16382	8.3
300.45297	0.2
305.77133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0331
Annotation	alpha-D-Sedoheptulopyranose 7-phosphate
Peak:m/z	Relative Intensity
51.68902	3.5
60.68650	3.1
66.79605	2.9
69.47491	22.7
77.47066	3.3
78.95757	22.8
85.02843	11.1
93.03367	4.4
96.96844	56.4
123.32951	3.0
127.00193	3.5
129.96960	2.9
191.05548	100.0
194.33650	3.3
254.21933	3.2
289.03375	8.7
289.07297	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	289.0334
Annotation	D-glycero-alpha-D-manno-Heptose 1-phosphate
Peak:m/z	Relative Intensity
59.01250	1.6
71.01390	1.6
77.83134	0.8
78.95786	18.3
85.02828	6.4
87.00765	2.3
93.03342	2.1
96.96851	32.2
99.74771	1.1
111.04417	1.2
116.23370	0.8
127.03892	1.8
138.97958	2.0
154.27240	0.9
191.05562	100.0
192.05862	3.6
199.00131	2.1
238.41628	0.9
289.03244	2.6
289.06699	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03309	4.2
57.42169	3.7
70.82581	7.5
81.03322	14.9
83.01237	12.5
83.77934	4.5
93.03357	4.3
93.41102	4.0
95.04885	16.2
97.02833	29.4
109.02135	8.0
109.02842	100.0
121.02821	3.9
123.04405	59.5
125.02338	71.2
135.04378	10.1
135.08430	4.1
137.02319	33.2
139.03925	17.2
149.02321	13.3
151.03917	39.7
159.04373	7.8
161.02309	5.9
161.05977	16.7
163.03900	4.9
164.01073	14.0
165.01833	14.6
167.03432	7.4
167.39522	4.4
175.07533	7.6
179.03419	15.8
187.03989	19.8
188.04700	21.4
201.05576	6.2
202.06236	11.6
202.63818	4.7
203.07150	48.0
205.05028	32.9
217.04877	4.6
217.08488	4.3
221.08138	18.4
227.07048	10.1
245.08142	41.0
271.05988	7.1
289.07172	68.9
290.07562	5.1
294.78278	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	289.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.0
59.01254	1.0
65.00182	2.1
69.03328	1.8
69.32998	6.8
81.03333	7.0
83.01264	9.6
87.99653	0.8
91.01754	0.7
93.03344	8.5
95.01253	1.5
95.04909	5.8
97.02836	14.1
99.04349	1.1
105.03355	1.1
107.01292	1.5
108.02057	3.5
109.02839	58.4
109.28291	0.8
117.03353	1.0
121.02856	6.5
122.03609	2.9
123.00723	1.3
123.04411	36.6
124.01592	1.0
125.02337	38.6
126.02625	1.0
129.07774	0.9
131.04950	1.1
133.02856	1.1
133.06494	1.4
135.04375	4.9
137.02345	34.4
138.03131	1.3
139.03909	6.2
145.02832	2.2
146.03622	2.6
147.04453	2.1
149.02347	7.8
150.03075	2.9
151.00267	5.9
151.03908	18.9
157.06461	1.2
158.03564	0.8
159.04419	7.6
160.05196	3.0
161.02348	2.6
161.05981	8.1
162.03117	3.1
163.03920	2.1
164.01088	7.2
165.01837	9.0
166.02571	1.2
166.67328	0.8
167.03397	3.2
173.05988	2.5
174.03163	2.1
175.03944	5.0
175.07574	3.7
177.05508	1.5
178.99789	4.3
179.03409	14.9
185.06026	1.1
186.03206	0.8
187.03951	7.6
188.04700	6.1
189.05373	0.9
192.33051	0.8
199.07544	1.5
201.05492	2.5
202.06268	3.4
203.03418	1.8
203.07086	22.9
204.07339	1.2
205.05005	14.8
206.05334	1.5
217.04988	3.0
221.04517	1.5
221.08171	6.5
227.07034	4.3
230.05737	1.6
231.02992	2.4
245.04483	10.1
245.08150	41.8
246.08458	2.7
247.02525	2.2
247.06082	2.4
249.40331	0.9
261.04062	1.9
271.06223	2.3
287.69714	0.9
289.03616	7.2
289.07156	100.0
290.04236	1.5
290.07513	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53879	1.8
57.03323	9.7
65.00178	3.4
66.67867	1.8
70.67798	4.0
80.28600	1.6
81.03338	12.2
81.16236	1.6
83.01257	12.7
93.03355	15.6
95.01244	2.8
95.04900	10.5
96.95903	2.1
97.02826	14.5
100.82921	1.5
105.03334	1.6
107.01266	4.4
107.04884	3.1
108.02029	2.8
109.02838	74.3
110.03167	2.0
111.04369	1.9
111.22666	1.8
117.03346	2.3
121.02869	9.8
123.04406	40.0
124.01553	1.6
125.02335	61.4
126.02631	3.4
131.04939	2.2
133.02837	1.5
135.04401	11.4
137.02348	58.2
139.03896	6.6
145.02782	2.1
146.03609	2.5
147.04408	4.4
149.02390	9.4
149.06062	2.1
150.03165	2.6
151.00276	13.4
151.03915	20.4
152.01012	6.3
159.04442	6.9
160.05196	2.9
161.02364	3.8
161.05971	9.2
162.03098	3.1
163.03877	2.2
164.01041	8.4
165.01862	11.1
166.02632	2.3
167.03389	3.7
173.05957	4.2
174.03098	3.0
175.03900	5.2
175.07596	3.0
177.01799	2.6
177.05498	2.5
178.99777	8.5
179.03415	15.2
187.03905	13.0
188.04698	7.9
189.05338	2.2
193.04858	2.0
202.06227	3.7
203.03461	2.9
203.07069	30.3
205.05045	17.0
217.05028	8.1
221.08119	9.4
227.07124	3.1
229.81172	1.8
231.02834	1.9
236.67429	1.9
245.04529	17.2
245.08145	36.3
247.02390	4.4
261.04199	3.3
289.03601	13.1
289.07156	100.0
290.07495	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	291.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.9
63.55207	0.8
64.28185	0.8
69.38821	0.9
71.01260	1.5
71.53973	1.3
85.02844	1.5
91.86274	0.8
96.91307	0.9
96.95886	1.7
99.00716	0.9
117.03357	3.3
119.04920	100.0
120.05298	4.1
128.05525	0.8
135.04465	1.0
145.02840	9.1
163.03925	86.3
164.04286	4.3
171.04123	0.9
176.48700	0.9
273.07794	1.4
291.05786	1.3
291.08777	9.3
291.19534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51395	0.4
58.10646	0.4
59.01258	0.8
70.09431	0.5
71.01237	0.6
72.18599	0.4
85.02818	1.3
93.03328	0.6
95.01167	0.5
96.95924	0.6
117.03349	2.7
119.04918	100.0
119.96959	0.5
120.05248	3.3
135.05457	0.4
145.01808	0.7
145.02870	7.2
163.03923	81.0
164.04260	3.3
273.07675	1.0
291.01215	0.5
291.08795	10.2
291.12180	0.5
291.19708	0.7
292.09128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.39017	0.3
55.81519	0.3
57.17908	0.3
59.01254	0.7
69.04829	0.3
70.45679	0.4
70.46030	0.9
74.38445	0.3
94.87274	0.3
95.04918	0.4
97.06467	0.3
97.16867	0.3
98.19932	0.3
103.59834	0.3
118.69855	0.3
119.04910	0.9
125.05933	0.7
127.07535	0.3
141.09123	0.6
148.08859	2.2
149.01891	0.3
150.10385	1.0
151.11171	0.6
163.11176	1.1
165.12772	22.6
166.13069	1.3
175.11108	0.5
176.11949	1.0
177.12811	0.4
190.13515	0.3
191.14293	0.6
217.15939	0.5
232.74464	0.3
244.32834	0.3
244.67622	0.3
247.20660	11.6
248.20975	1.0
253.08246	0.4
273.18622	6.8
274.18878	0.5
291.19672	100.0
292.20035	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.15496	0.3
69.42448	0.7
69.42860	1.1
73.02821	51.6
74.03166	0.8
98.19846	0.6
98.20498	0.5
99.51917	0.3
104.18888	0.3
121.02853	0.5
141.91672	0.3
153.99161	0.4
209.90408	0.3
233.04234	0.3
268.71051	0.3
275.38596	0.3
291.19666	100.0
292.19995	9.4
293.04214	0.3
304.23596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02831	0.9
59.01255	5.4
61.98705	0.6
64.69525	0.5
70.82655	1.2
71.01253	5.0
73.02818	1.7
76.13481	0.5
85.02835	1.4
89.02321	3.6
96.95894	1.2
97.02817	1.1
99.00772	0.8
101.02354	0.7
108.04410	0.9
113.02363	0.8
119.03440	0.6
125.02383	0.7
131.03380	0.9
131.06892	0.6
139.88654	0.6
149.04459	0.5
156.13850	100.0
157.14233	4.7
161.04504	3.2
171.81036	0.5
200.12843	6.1
220.14664	2.6
221.15419	4.5
236.10518	3.2
254.02660	0.5
254.74333	0.5
292.09036	0.7
292.19641	0.9
293.08853	7.2
293.17902	1.1
293.21210	3.7
301.72931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05095	0.4
58.00464	0.4
58.02844	0.6
58.73218	0.4
59.01249	4.6
65.05499	0.4
67.23037	0.4
69.55115	2.5
71.01270	3.4
72.13256	0.5
73.02823	1.1
78.67030	0.5
83.01314	0.4
85.02834	1.2
89.02316	2.6
96.95903	0.6
97.02831	1.0
101.02307	0.8
113.02295	0.9
119.04935	0.5
125.02342	0.6
131.03398	0.8
143.03514	0.7
149.04431	0.5
156.13850	100.0
157.14192	3.9
161.04449	3.2
177.09177	0.5
179.70601	0.5
200.12872	6.5
201.13197	0.5
201.73022	0.5
220.14642	2.8
221.15401	5.3
236.10567	4.0
255.22258	0.5
292.19742	1.7
293.08798	6.2
293.17697	0.6
293.21112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.67987	2.2
58.00470	4.8
59.01254	80.2
61.98719	2.8
69.03313	11.3
71.01254	100.0
71.54558	2.8
72.99173	8.1
73.02814	19.5
75.00749	2.9
79.95611	4.8
81.03316	4.6
83.01273	7.3
85.02817	13.1
87.00748	4.9
89.02319	98.1
95.01249	5.5
95.94491	4.7
95.95106	83.4
96.95893	8.7
97.02823	12.0
99.00757	16.9
101.02331	12.3
104.20650	2.7
113.02331	7.9
115.03921	6.3
125.02331	34.0
131.03378	10.4
143.03351	2.6
149.04449	6.0
161.04506	13.1
165.33076	2.5
181.85234	2.5
221.15398	2.3
233.06584	13.6
266.22998	2.7
293.08722	30.4
293.21170	5.1
294.06415	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29065	0.4
55.01749	1.0
56.25135	0.4
57.03328	0.9
58.00454	2.0
59.01253	32.9
61.60818	0.4
71.01255	20.0
71.42248	0.5
72.99173	2.4
73.02819	1.4
75.71080	0.5
83.01252	1.8
85.02822	5.6
85.06467	13.9
87.00769	1.2
89.02316	15.9
95.01266	1.0
99.00736	0.8
99.08023	0.5
101.01688	0.9
101.02319	11.3
102.02631	0.6
113.02327	6.5
113.05960	2.2
115.07518	1.8
119.03391	6.9
127.07539	0.9
131.03355	1.2
131.07037	57.1
132.07330	1.4
143.03398	0.8
161.04434	2.1
161.47330	0.5
173.08116	2.3
179.05508	1.2
213.99799	0.5
293.12415	100.0
294.12741	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33643	0.2
71.01255	8.9
71.25255	0.4
73.02814	0.4
75.15134	0.2
85.02827	0.3
89.02324	0.9
96.95876	0.3
97.02816	0.5
121.85560	0.2
125.02325	0.2
127.07567	1.0
131.03345	0.2
148.05190	1.1
151.07576	0.9
161.04462	0.9
164.08315	1.7
177.09128	5.2
178.09453	0.3
190.09882	0.5
191.13930	0.2
192.11491	8.1
192.13251	0.4
193.11925	0.6
202.74496	0.2
205.12280	8.6
206.12614	0.5
207.13812	1.7
217.08664	1.0
218.09451	1.8
219.09962	0.3
220.14642	52.2
221.15414	100.0
222.15753	6.3
235.13313	1.6
236.10504	71.5
237.10904	4.5
253.14349	0.2
293.08807	1.9
293.14267	0.3
293.17615	6.7
293.20764	0.3
294.17947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74883	0.3
56.37028	0.3
57.96354	0.3
59.01252	2.7
71.01252	2.5
73.02811	0.8
79.95612	2.8
85.02809	0.9
89.02308	1.8
95.95125	0.6
96.95892	100.0
97.02855	0.4
97.95840	0.4
98.19742	0.5
101.02315	0.6
103.46532	0.4
131.03342	0.8
131.07103	0.3
151.36894	0.3
161.04456	2.0
220.14572	0.4
221.15399	0.9
229.30563	0.4
236.10542	1.0
293.09036	4.1
293.17929	74.5
294.18268	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56953	0.6
57.03333	5.6
59.01258	6.7
70.28602	1.1
70.28931	1.1
71.01263	4.0
73.02821	1.4
83.22265	0.6
85.02829	1.7
89.02321	2.8
95.04935	0.7
96.95898	2.0
97.06478	1.0
98.92015	0.7
101.02317	0.9
108.56488	0.6
109.06490	0.8
113.02312	1.0
113.09613	18.9
114.09951	0.8
121.10133	6.6
125.09583	0.9
131.03430	0.6
139.11197	1.7
149.09665	0.7
155.10724	1.0
161.04472	2.5
167.10686	2.0
171.10199	13.3
177.12773	0.8
179.10683	1.9
185.11682	1.3
195.13840	2.5
220.14612	1.0
221.15402	2.0
231.21083	1.3
236.10530	2.7
249.22192	1.9
275.20187	15.5
276.20404	1.3
293.08905	8.0
293.21237	100.0
294.21561	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73499	0.6
57.03316	1.2
58.00455	0.8
59.01247	6.4
69.03326	1.3
71.01253	7.0
71.51477	0.7
71.54189	0.7
73.02805	2.0
85.02818	2.9
85.03284	0.7
85.61785	0.7
89.02316	5.7
91.04312	0.6
96.95895	4.1
97.02821	1.7
97.06522	0.7
98.96149	0.6
101.02332	1.6
113.02349	1.0
113.09600	0.6
119.04913	0.7
123.08057	0.7
125.09624	3.9
131.03395	2.2
141.12718	1.5
145.02831	1.5
149.09630	2.4
161.04463	5.6
163.03848	0.8
163.06052	1.1
163.17221	0.7
173.54955	0.6
185.11751	9.4
197.11790	2.2
219.09322	0.8
220.14536	1.5
221.15393	3.1
236.10503	2.5
243.20900	0.6
249.22342	1.0
264.42233	0.6
275.20145	1.5
293.08801	9.8
293.21213	100.0
294.08990	1.0
294.21490	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	293.2123
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.53236	1.1
59.01255	7.9
62.55078	1.0
71.01245	3.7
73.02829	1.6
85.02836	1.8
89.02316	3.4
97.06500	1.1
101.02314	1.9
106.78784	1.1
121.10123	43.3
122.10459	1.9
125.09610	1.6
154.76540	1.1
155.10774	1.1
161.04457	2.5
171.10178	76.1
172.10464	1.8
183.10191	3.4
183.13794	4.1
185.11848	2.4
220.14595	1.4
221.15381	2.9
231.21190	4.9
235.17047	1.4
236.10442	1.7
265.22055	1.1
275.20160	100.0
276.20465	8.9
280.04050	1.2
293.08798	8.7
293.21219	79.3
294.21603	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	293.2125
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.65504	0.5
58.00481	0.5
59.01261	3.7
66.48846	0.5
69.03318	0.6
71.01242	3.1
71.33887	0.7
73.02821	0.9
89.02303	2.4
101.02333	0.6
111.08062	0.5
113.15876	0.5
121.10119	0.9
131.03377	0.6
143.33220	0.5
161.04436	1.3
167.10733	0.6
171.10159	0.9
179.14294	1.4
181.12247	0.5
195.13852	16.1
196.14487	1.7
205.12274	1.5
211.13284	1.6
220.14470	0.7
221.15427	0.9
223.13351	13.3
224.13838	1.5
228.13594	1.9
231.21199	0.9
236.10490	0.8
256.13147	3.7
275.20157	10.4
276.20544	1.1
293.08810	3.8
293.21222	100.0
294.21506	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.2
60.49306	0.6
66.61875	0.6
71.01284	2.2
73.02853	2.9
87.00779	1.5
89.02324	15.3
103.03890	1.7
103.45455	0.6
117.03341	0.9
119.04919	61.3
120.05285	2.4
131.03397	6.9
145.02849	1.1
149.04471	95.2
150.04854	1.0
163.03925	100.0
164.04272	4.2
191.21471	0.6
200.39397	0.6
220.25157	0.6
229.51376	0.7
238.30614	0.6
295.08228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.8
60.00141	1.0
69.98406	2.3
71.01249	1.4
73.02828	1.8
74.08595	1.0
89.02335	4.5
93.03335	1.3
119.04918	83.0
120.05286	1.6
122.97142	1.0
129.59949	1.0
131.03343	1.1
135.24689	0.9
136.68086	1.0
149.04480	15.9
163.03929	100.0
164.04231	4.0
177.21864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Phellodenol F
Peak:m/z	Relative Intensity
57.03315	3.1
59.01253	6.7
69.03336	1.6
69.32326	2.4
69.32751	3.5
71.01244	3.1
73.02812	2.5
85.02828	1.6
87.00761	0.9
87.04391	16.9
89.02316	8.4
96.95880	0.9
98.19793	1.5
101.02312	1.4
103.03902	2.0
107.04877	1.1
110.98617	0.8
112.71455	0.7
113.02304	1.2
115.03915	0.9
117.01140	0.8
119.03368	0.8
119.04922	16.3
120.05315	1.2
131.03358	1.3
133.02870	19.0
133.04964	73.7
134.03563	2.4
134.05322	1.6
135.04420	28.8
145.02934	0.8
149.04463	25.3
149.05661	1.7
150.04782	1.1
160.92349	0.7
161.02353	100.0
162.02721	4.2
163.03918	20.2
179.03438	14.1
253.09113	0.9
295.08240	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34157	1.0
55.01757	1.3
57.03320	3.4
58.00456	2.7
59.01253	65.6
64.52927	1.0
69.39148	0.9
71.01253	34.4
71.52880	1.1
72.99195	2.3
73.02793	2.9
75.00746	1.4
79.08885	0.8
83.01248	3.0
85.02821	11.7
87.00726	2.2
87.04383	4.9
89.02319	37.3
95.01277	2.1
96.95911	2.2
99.00733	1.1
101.01691	1.9
101.02334	23.7
113.02354	12.4
114.02773	0.9
114.61517	1.0
115.00264	4.4
115.03900	12.2
119.03397	14.9
120.99538	1.3
129.92531	1.0
131.03392	2.6
133.04968	23.9
138.85126	1.0
143.03438	1.4
149.04430	1.1
179.05499	2.5
207.03258	2.2
248.45711	1.0
281.48743	1.0
295.10352	100.0
296.10611	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.56926	0.4
57.03313	1.2
59.01252	6.8
59.54261	0.4
71.01244	1.8
71.02550	0.4
73.02867	0.5
83.04907	0.8
85.02828	1.1
89.02327	0.5
92.21252	0.3
101.02329	1.2
113.02315	0.5
113.09592	2.7
133.04988	0.7
161.04492	0.5
177.12779	0.5
179.14287	1.3
181.12219	0.5
195.13846	20.4
196.14137	1.2
233.22787	0.5
277.21710	20.8
278.22089	1.5
295.22775	100.0
296.23087	8.5
302.42596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.92727	1.2
53.18421	1.1
57.03321	3.5
59.01254	16.5
70.78003	1.7
70.78363	2.3
71.01241	5.8
73.02848	1.2
85.02825	3.0
85.61241	1.1
89.02322	2.7
99.08023	1.3
101.02332	4.0
113.02327	1.4
113.82247	1.0
119.04914	1.9
122.47442	1.1
125.09620	1.9
133.04929	2.1
141.12836	1.2
143.42105	1.2
155.14313	1.8
161.04427	2.3
171.10184	48.6
172.10591	2.6
183.10229	3.0
194.68701	1.3
195.13916	2.3
216.41254	1.1
237.12349	1.2
277.21735	61.1
278.22168	4.1
295.10248	3.4
295.22791	100.0
296.23032	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.18105	0.9
58.41432	0.8
59.01255	15.8
66.44138	1.0
69.77714	0.9
71.01257	4.9
85.02808	1.7
89.02314	1.8
101.02343	4.4
113.02322	2.0
113.09667	1.3
120.05413	0.8
122.03474	1.1
123.88313	0.9
126.36571	1.0
133.04942	3.0
149.65976	1.0
153.31412	1.0
161.04443	1.7
183.13878	3.2
187.54912	1.0
195.13841	28.0
196.14169	1.0
200.81364	1.0
240.07852	1.0
253.09088	1.3
269.47287	0.9
277.21747	23.7
277.24857	1.3
278.22226	2.0
279.26324	1.0
295.10254	2.8
295.22787	100.0
296.23132	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03315	0.9
59.01249	4.7
59.18775	0.5
70.92392	1.1
71.01257	1.0
83.04884	0.7
97.02854	0.5
97.06467	0.8
99.08032	0.8
101.02296	0.7
113.02303	0.6
125.09599	0.9
127.11180	0.9
132.32100	0.5
133.04962	0.7
141.12738	1.1
161.04507	0.6
171.10185	39.1
172.10555	1.4
178.58958	0.7
183.10175	1.2
195.13885	3.5
242.62070	0.6
259.20670	0.8
277.21725	51.7
278.22070	4.4
295.22778	100.0
296.23157	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	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
59.01262	7.1
61.86723	0.5
65.76237	0.6
71.01260	3.8
72.98785	0.6
72.99188	9.8
73.02838	0.6
75.00752	100.0
85.02820	1.1
89.00430	0.6
89.02324	6.3
101.02321	3.2
108.02087	0.6
113.02347	1.9
119.03403	2.1
123.04392	1.2
135.02896	4.1
135.06543	1.6
161.04512	1.5
161.09598	1.3
165.09146	0.7
179.05557	1.0
179.10759	3.3
203.10783	0.7
206.09427	5.3
221.11810	7.4
229.10510	0.7
297.13516	54.1
297.24313	5.2
298.13864	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03314	0.3
59.01251	6.9
59.55117	0.2
62.32940	0.2
63.47843	0.3
70.68774	0.6
71.01251	3.3
73.02821	0.5
77.21070	0.3
83.52462	0.2
85.02821	0.9
89.02319	3.8
95.01290	0.3
101.02319	2.2
113.02327	1.3
119.03387	1.9
135.04373	0.4
135.06500	1.5
142.22247	0.3
143.03412	0.3
156.37006	0.3
161.04440	0.9
176.13638	0.3
179.05550	1.1
183.01134	4.6
184.01718	0.8
237.09671	0.3
241.94202	0.3
251.23819	1.4
279.23267	1.2
295.22748	1.1
297.11801	3.0
297.15286	10.2
297.24344	100.0
298.15695	0.9
298.24692	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	299.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28516	0.3
63.02274	4.1
65.00189	2.4
69.50891	0.3
69.94209	1.0
74.19646	0.3
75.05147	0.3
79.01768	0.5
83.01250	1.6
89.00191	0.6
91.01783	0.3
95.01266	0.5
107.01271	3.5
108.02040	0.7
109.02853	4.4
115.05455	0.7
117.03340	0.9
119.01292	0.4
123.00805	0.4
124.01508	0.3
129.03369	0.4
131.04898	0.8
133.02864	7.2
133.52414	0.3
135.00743	1.4
139.03984	0.3
143.04907	3.2
145.02843	2.6
147.00793	1.0
147.04453	1.4
148.01584	0.7
149.02341	0.4
151.00285	4.1
154.04211	0.5
155.04935	1.2
157.02869	2.1
159.04404	1.0
161.02330	0.9
161.05988	0.4
163.00310	0.7
163.03857	0.7
169.01385	0.6
169.02750	0.7
170.03610	0.8
171.04411	6.6
172.04837	0.4
173.02321	1.6
174.03127	0.4
175.03935	3.9
176.04352	0.3
182.03644	0.8
183.04445	1.2
185.02368	1.0
187.03954	3.4
189.05473	0.6
197.02385	1.3
198.03186	2.3
199.03941	15.9
200.04300	0.9
201.01891	5.6
203.03499	1.4
211.03827	0.3
213.01836	1.1
214.02623	0.7
215.03439	7.0
225.01907	0.5
226.02673	3.0
227.03467	7.5
229.01411	0.5
241.01424	0.6
242.02161	2.1
243.02969	9.8
244.03407	0.6
254.02307	0.5
255.02940	5.6
256.03430	0.4
271.02484	100.0
272.02844	6.0
282.01682	1.2
284.03149	0.4
299.01978	84.3
299.16489	3.0
300.02618	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	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.42189	0.3
58.33433	0.3
60.37152	0.3
63.02269	9.3
64.02574	0.4
65.00195	16.6
66.00540	0.4
69.39633	2.1
77.47268	0.3
83.01263	10.1
86.42856	0.3
90.69888	0.3
93.03334	5.1
95.01281	0.8
97.60299	0.3
98.20515	0.4
107.01273	26.2
108.01591	0.6
109.02852	3.3
111.00751	0.3
116.00979	0.4
117.03380	0.3
121.02847	22.9
122.03184	0.8
123.00778	0.6
124.01591	0.5
125.02359	0.9
135.00827	0.3
135.04393	0.3
136.01620	0.5
137.02350	0.4
138.03087	0.3
139.03917	2.0
140.55798	0.3
147.04335	0.4
149.02339	3.5
151.00278	68.0
152.00615	2.4
159.04454	1.3
161.02350	1.4
162.03107	0.5
163.00278	1.8
163.01474	0.3
163.03941	1.2
164.01080	1.3
165.01866	0.5
169.01337	4.2
170.03706	0.3
172.65791	0.3
173.02393	0.3
175.03987	0.7
178.99792	24.9
180.00156	0.9
182.77286	0.3
183.04448	0.7
185.06049	0.8
187.03952	1.4
192.00545	0.4
193.01343	1.8
199.03989	0.7
201.05531	1.2
203.03470	0.4
205.05019	0.6
211.03966	1.3
227.03439	1.0
229.05008	1.8
231.02927	0.5
239.03363	0.3
240.04233	0.4
243.02966	0.7
245.04567	1.9
250.05608	0.3
250.86241	0.3
255.02954	0.9
256.03659	0.6
257.04440	0.7
271.02414	0.5
272.02979	0.5
273.04083	3.4
299.01953	0.7
301.03528	100.0
302.03870	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	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.44424	0.3
63.02264	1.7
65.00200	4.0
65.03863	0.4
65.24298	0.3
69.23033	0.3
71.54648	0.4
83.01247	1.9
85.53889	0.3
86.71667	0.3
93.03328	1.5
95.01241	0.4
96.95865	0.4
102.22240	0.3
105.03317	0.6
107.01279	6.4
109.02828	1.5
110.32174	0.3
119.04915	0.4
121.02869	2.6
121.05565	0.3
123.00781	0.5
125.02325	0.7
131.02608	0.3
137.02344	0.5
139.03883	0.6
146.07016	0.3
147.04425	0.3
149.02350	22.4
150.02672	0.6
150.73822	0.3
151.00276	14.0
152.00859	0.7
159.04395	1.0
161.02350	0.7
163.00333	0.8
163.03931	0.5
167.05006	0.4
169.01402	0.9
173.06020	0.4
178.99734	2.8
180.88814	0.3
181.31602	0.3
183.04453	0.9
187.03885	1.0
190.02702	0.4
191.03447	3.6
193.01303	0.4
199.03983	0.3
201.05513	0.7
203.03491	0.3
203.84874	0.3
206.99220	0.4
211.03909	1.2
212.04628	0.4
214.02702	0.6
215.03467	2.1
217.01190	0.3
227.03374	1.6
229.04959	0.6
233.04468	1.0
239.03398	1.7
245.04550	1.9
255.02962	2.4
256.03473	0.7
257.04529	1.1
259.02332	0.4
272.03146	0.8
273.04092	2.3
283.02509	1.4
284.03113	0.4
301.03528	100.0
302.03845	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	301.1083
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
63.02276	1.2
65.00214	1.8
69.54756	5.1
83.01228	1.2
84.25610	0.8
90.60120	0.8
96.95901	1.2
98.20499	1.8
104.25117	0.8
107.01271	1.9
108.02053	2.6
109.02830	3.9
121.02835	5.4
123.00764	1.0
123.04436	1.0
149.02351	13.6
150.03145	14.0
151.00266	7.1
159.04468	1.0
162.03099	1.2
164.04701	1.7
165.05487	17.6
167.04951	1.3
169.06476	1.9
171.04381	1.3
178.99756	3.4
183.04483	4.2
184.05240	5.6
185.05959	2.8
187.03976	5.5
195.04443	8.7
196.05165	3.0
197.06033	9.7
208.05200	2.1
209.05980	2.5
211.03920	7.3
211.07602	1.2
212.04715	13.2
213.05501	10.8
223.03993	3.7
224.04736	4.8
225.05525	44.3
226.06071	4.4
227.07089	6.8
236.04770	2.9
237.05453	3.1
238.06197	1.2
239.03569	1.0
239.07019	2.4
240.04254	52.8
240.07814	10.4
241.04994	18.9
241.07695	1.2
241.08627	1.5
242.05618	1.9
243.06561	3.2
252.04181	1.5
253.05046	33.4
254.05508	3.7
255.06604	100.0
256.07211	15.7
257.04541	1.0
257.07813	1.5
267.06570	3.7
268.07397	19.2
269.07819	1.8
270.08969	80.3
271.06152	12.1
271.09680	30.9
272.03122	1.0
272.06738	1.1
272.09970	1.9
282.05353	1.8
283.06458	1.4
283.09738	7.5
286.08542	13.8
287.08636	1.2
301.03537	12.5
301.10815	34.9
302.03894	1.1
302.11206	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96591	0.6
70.72639	1.0
74.98957	0.9
77.68646	0.5
82.91710	0.5
102.21854	0.4
107.01239	0.5
113.12644	0.5
118.96165	0.8
134.99301	5.8
136.97221	2.4
143.05234	0.9
159.08408	1.7
161.06311	7.0
184.72272	0.5
195.51804	0.5
201.04134	0.5
203.05652	3.2
205.03470	1.1
215.05617	1.3
217.07161	84.3
218.07239	5.7
235.08139	0.6
261.06226	0.6
283.12112	0.6
285.13470	35.0
286.13617	3.5
301.16602	100.0
302.16748	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	303.0512
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
50.39534	1.9
54.76225	2.4
55.01758	4.4
57.03314	6.0
59.01265	2.7
65.15331	2.0
67.01767	6.0
68.99683	5.3
71.51247	2.8
74.22178	1.9
81.03339	7.5
83.01263	5.4
85.02811	6.3
93.03345	2.5
95.01243	3.7
96.99194	2.6
97.02835	5.9
99.00786	13.7
101.02351	2.1
109.02835	28.0
111.00768	22.4
113.02354	2.6
116.96268	2.1
121.02847	5.8
123.00761	8.6
123.04388	5.8
124.01551	2.9
125.02336	100.0
126.02660	3.7
127.00233	5.3
133.02850	2.5
135.00775	2.2
135.04399	3.5
137.02335	24.9
138.03082	7.1
139.00264	29.7
139.03877	4.3
140.01064	3.5
141.01833	72.3
145.02792	3.9
145.06606	2.0
146.03622	2.7
147.04417	7.8
149.02354	14.6
151.00327	3.9
151.03899	5.5
152.01036	6.0
153.01833	66.6
154.02185	3.3
158.03596	4.0
159.04468	4.1
161.02357	36.7
161.05984	4.0
162.02832	2.6
163.03928	5.3
164.01083	2.7
165.01897	11.9
166.02568	7.1
167.03362	8.0
167.04773	2.1
171.04390	4.8
173.02388	3.7
173.05989	6.3
174.03099	4.7
175.03949	31.8
177.01848	21.3
178.99742	2.8
180.00517	5.0
181.01295	5.1
185.02483	3.9
185.06059	3.0
187.03859	3.7
188.04640	3.0
189.05547	8.2
191.03560	2.6
199.03952	8.2
200.04619	2.4
201.01883	9.6
201.05431	5.0
203.03400	10.5
205.05083	5.6
207.06665	2.6
213.05515	8.9
215.03343	2.5
217.04973	22.9
229.05067	13.6
231.03004	4.7
231.06459	4.5
233.04555	2.1
235.06026	6.9
241.05058	12.6
243.02679	3.3
244.07344	7.3
257.04517	8.2
259.06149	9.6
259.09802	6.3
275.05728	3.2
285.04013	26.6
303.05130	65.6
303.08600	5.6
304.05661	8.7
308.84741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79681	0.4
57.03324	16.9
59.01237	0.5
63.02266	0.6
65.00195	3.8
67.01780	0.5
68.99661	0.4
69.03329	0.4
69.19040	3.4
80.79484	0.3
81.03333	1.0
83.01262	6.5
93.03337	1.4
95.01270	0.8
95.04911	0.4
96.95913	1.1
97.02819	0.5
107.01277	2.9
108.02071	1.1
109.02831	4.2
111.00774	1.0
120.99564	4.9
121.02832	1.8
122.03667	0.5
123.04406	6.8
124.01582	2.4
125.02340	100.0
126.02685	2.9
130.04173	0.4
133.02814	0.9
137.02339	2.3
139.03912	2.0
140.26851	0.4
143.04922	0.8
145.02859	0.5
146.03592	1.0
147.04410	2.3
149.02361	6.9
150.03127	7.5
150.07101	0.4
151.00278	8.4
151.03914	9.5
152.01088	3.6
153.01849	7.3
159.04437	0.9
161.02350	1.4
161.05965	1.3
163.00304	0.6
163.03947	0.7
164.04645	0.5
165.05460	1.4
169.01352	0.7
171.04431	1.8
172.05092	0.4
173.02333	0.8
173.05981	0.6
174.03172	3.6
175.03932	17.4
176.01013	0.5
176.04257	0.8
177.01857	16.7
178.02199	0.7
178.99785	8.6
179.10652	0.4
181.01358	1.4
185.05948	0.6
186.03111	0.4
187.03934	0.5
188.04735	1.9
189.05513	5.0
189.75673	0.5
191.03493	0.6
193.05016	3.4
194.56499	0.4
197.05852	0.5
198.03117	0.8
199.03940	7.9
200.04361	0.7
201.01855	2.9
203.07076	0.4
205.05069	0.7
213.05466	1.7
215.03381	0.8
216.04192	1.5
217.05003	9.5
219.02916	0.4
223.06148	2.3
223.08081	0.5
229.04987	1.2
231.06601	1.8
235.06049	0.5
237.06654	0.4
241.05043	6.4
242.02136	0.7
242.05460	0.4
243.03000	1.7
244.07433	1.3
257.04553	1.4
259.06116	5.5
259.09659	0.8
275.05621	6.1
285.04053	56.6
286.04391	4.5
303.01727	0.7
303.05054	6.3
303.13040	0.7
304.05267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	47.2
59.03171	1.4
69.30938	12.0
83.62360	1.3
120.80502	1.5
155.30617	1.4
168.13857	100.0
169.14160	5.3
190.04060	1.4
196.05630	1.3
206.17958	1.4
212.12862	3.2
215.79315	1.4
296.30255	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	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.63804	0.8
51.46659	0.8
56.93892	0.9
57.03328	10.0
59.01253	1.2
62.91884	0.8
69.03321	2.9
70.25839	3.6
81.03341	4.0
82.00455	0.7
83.01269	4.6
86.49586	0.9
93.03334	3.8
95.01260	3.8
95.04913	4.2
97.02839	6.3
98.20586	1.1
99.00739	1.0
107.04932	1.2
108.02101	0.8
109.02133	1.6
109.02836	20.2
111.04424	4.5
113.05911	1.0
120.99551	1.3
121.02803	3.8
123.00767	7.8
123.04390	1.6
124.01577	6.5
125.02345	100.0
126.02671	3.2
130.04956	0.9
135.04385	2.6
137.02347	28.0
138.03107	1.9
139.03923	22.9
149.02330	1.3
149.05962	2.6
151.03906	3.1
159.04419	1.8
161.02332	3.2
164.01080	7.6
165.01851	21.2
166.02435	1.4
167.03416	20.0
173.05986	1.1
175.03896	2.8
177.01846	1.7
177.05441	5.6
177.87146	0.9
178.02553	1.1
179.03419	17.1
191.07045	1.9
201.05498	2.2
203.03401	3.2
204.04164	3.1
215.07095	1.0
219.06596	15.6
221.04523	6.3
237.07643	1.6
243.06552	1.5
261.07700	4.6
305.06668	49.8
306.07040	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	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	7.5
71.01238	0.9
80.15939	0.8
81.03336	3.3
83.01273	3.8
85.55512	0.7
93.03345	2.7
95.01258	2.5
95.04913	3.1
97.02833	4.4
105.15527	0.8
107.31209	0.7
109.02848	16.8
111.04383	3.5
121.02864	1.6
123.00793	6.7
123.04425	1.6
124.01517	4.3
125.02345	100.0
126.02652	3.0
133.06490	1.0
135.04382	2.8
137.02353	25.7
138.03011	0.9
139.02823	1.4
139.03918	22.5
140.04195	0.9
147.04431	0.9
149.05995	2.4
151.03905	3.5
159.04399	1.5
161.02330	2.5
164.01089	7.1
165.01865	17.1
166.02460	1.8
167.03430	24.7
173.05974	1.5
175.03929	2.3
177.01950	1.7
177.05492	4.4
178.02652	1.1
179.03444	10.9
180.67102	0.8
181.04912	1.1
191.07039	2.3
201.05533	1.9
203.03395	4.0
204.04126	2.7
218.05821	1.3
219.06610	14.1
221.04456	4.8
237.07590	1.9
240.70049	0.8
243.06410	1.2
244.73729	0.8
261.07629	1.9
305.06671	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	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03313	10.9
59.01255	6.8
61.48556	4.0
66.18571	4.2
67.89384	3.6
69.03345	4.4
69.36293	3.6
69.96443	11.3
71.01260	8.7
81.03367	5.5
83.01256	13.0
85.02859	4.7
93.03348	5.3
95.01277	12.5
95.04924	4.1
97.02837	11.4
99.00777	19.7
99.04384	8.4
109.02842	36.6
110.47871	4.2
111.00769	35.0
111.04387	7.0
113.02324	7.8
121.02850	11.1
123.00759	11.6
123.04427	18.1
124.01563	5.2
125.02349	53.0
127.00319	3.9
135.04402	8.4
137.02335	33.9
138.03017	6.1
139.00243	31.0
139.03909	10.2
140.01041	10.6
140.02048	4.3
141.01845	12.0
149.02341	10.7
151.03909	13.2
159.04456	8.5
161.02368	34.0
162.03084	12.7
165.01855	15.8
165.05472	4.7
167.03419	16.4
175.03955	6.2
177.05554	7.6
179.03427	11.2
180.81645	4.1
181.04919	5.0
181.77290	4.0
195.02965	5.4
201.05556	8.5
203.03506	7.1
205.05052	7.7
219.06488	10.2
243.06516	7.6
261.07877	4.3
263.05325	4.7
287.05588	14.1
305.06656	100.0
306.07150	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.3
59.96584	0.4
71.01251	0.7
71.33501	0.4
74.98947	5.5
74.99346	0.4
75.96123	0.4
85.02803	0.5
89.02322	0.3
91.02081	2.8
93.00010	3.9
94.32542	0.3
109.73970	0.3
113.02247	0.3
118.91584	0.3
135.04410	2.0
149.00858	2.9
159.08376	7.8
161.04463	0.7
161.06313	2.5
167.98871	0.3
179.03455	1.3
184.95132	0.2
192.98062	0.8
206.99617	2.1
209.01207	2.7
217.07201	1.0
223.02797	49.3
224.02834	3.6
225.00760	0.3
226.27568	0.3
232.97327	0.3
241.03877	1.5
275.06036	0.7
277.08282	0.3
289.07486	2.5
291.09103	100.0
292.09232	11.0
307.12521	2.1
307.19113	0.3
309.10214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
62.01379	0.4
69.39683	0.4
71.01246	1.4
71.54525	0.7
74.98948	5.2
82.82245	0.4
85.02822	0.8
89.02319	0.7
91.02073	2.4
91.17097	0.4
92.17568	0.3
93.00021	3.9
95.34164	0.4
101.02301	0.5
135.04405	3.1
149.00827	2.8
159.08382	7.1
161.04443	0.9
161.06302	1.9
164.31651	0.4
179.03397	3.2
192.98077	0.6
198.57553	0.5
206.99582	1.4
209.01187	2.6
214.85240	0.4
217.07182	0.9
223.02786	50.3
224.02831	4.0
225.00713	0.5
241.03928	1.8
289.07571	2.0
291.09097	100.0
292.09222	9.2
298.63681	0.4
307.12082	1.7
307.19144	0.6
309.10104	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01763	0.8
57.03336	0.7
58.00468	1.6
59.01252	40.4
60.01596	0.6
66.09451	0.5
69.69050	0.8
69.69460	2.0
71.01256	21.3
72.99183	1.6
73.02822	1.8
81.00094	0.5
83.01247	1.9
85.02827	5.0
87.00745	0.9
89.02317	19.8
95.01276	2.1
96.95898	1.2
98.19785	0.8
99.08035	19.7
100.44939	0.6
101.02316	15.5
113.02326	8.0
119.03394	8.1
127.07537	3.4
129.09099	2.0
131.03429	0.7
135.04433	2.5
141.09120	1.7
143.03354	0.9
143.07057	0.6
145.08607	72.3
146.08942	2.0
161.04529	0.8
179.03365	1.4
179.05557	1.1
187.09715	1.6
202.15990	0.5
215.83191	0.5
307.13986	100.0
308.14316	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49335	1.4
57.03313	6.0
59.01248	11.5
69.03331	1.8
70.56035	3.1
71.01257	3.1
79.95618	1.6
80.02531	2.0
81.03329	6.3
83.01256	5.2
83.04877	5.4
95.04899	3.8
97.02841	6.6
97.06498	10.6
105.98032	1.5
109.06507	2.6
110.03578	2.0
121.06444	3.4
123.04404	10.2
123.08038	4.9
125.05964	2.5
125.09634	19.6
135.04449	9.2
135.07991	2.8
137.06006	2.0
137.09616	13.4
138.09984	1.5
141.12758	4.8
148.96219	1.9
149.05972	3.0
151.11198	1.8
161.09653	2.6
162.10446	1.4
163.07523	2.0
163.11230	16.3
164.30133	1.4
165.12711	2.6
167.10657	2.0
171.10123	2.4
177.12753	1.8
179.03418	8.6
181.12206	5.0
185.11771	22.3
191.10637	2.4
191.14355	18.4
195.12091	1.6
207.10284	10.5
209.11761	33.2
217.15749	1.9
225.11298	11.0
226.11948	2.1
227.21701	1.6
233.15305	1.8
242.94463	1.8
245.19092	46.2
246.19362	3.2
251.73129	1.5
263.20258	2.3
271.17032	5.9
289.18103	100.0
290.18478	7.5
307.10590	2.3
307.19131	47.9
307.22635	2.9
308.19336	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54483	3.3
57.03321	12.6
59.01254	31.8
69.03302	7.3
70.59877	8.6
71.01257	22.3
71.51608	3.0
72.99192	3.7
73.02811	6.7
79.93536	3.0
81.03336	5.8
81.11945	2.8
83.04913	8.1
85.02832	9.6
89.02308	3.8
93.03340	3.6
95.04937	6.3
97.02827	3.9
97.06475	27.4
101.02321	5.9
103.03928	4.4
111.08042	11.6
113.02375	4.3
121.02789	5.1
121.06434	3.5
125.09611	5.3
135.04411	45.7
137.05977	4.8
137.09613	3.4
149.09637	6.1
151.11250	24.3
153.09111	4.7
153.12729	5.1
155.10689	13.2
156.70053	3.6
161.02354	4.1
161.04486	10.0
163.11240	8.7
165.12769	30.8
167.10666	6.6
169.12221	4.8
171.10190	3.6
177.07663	3.3
177.09140	3.2
177.12814	4.3
179.03415	39.8
179.10684	9.0
180.03755	3.4
181.12297	36.2
185.11792	7.3
191.10735	17.4
191.14366	11.5
205.12421	3.8
209.11789	61.6
211.13393	10.4
239.09064	3.9
245.19069	49.0
261.18509	5.5
263.20065	12.1
279.19550	6.0
289.18051	55.1
307.10385	13.2
307.15637	7.5
307.19150	100.0
308.11121	3.5
308.19519	7.9
313.62305	3.3
316.48431	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
52.43013	3.0
54.30536	2.7
54.99316	3.0
56.44948	3.4
57.03311	11.6
59.01249	28.3
69.03321	5.3
71.01251	26.5
73.02822	5.3
73.59637	3.0
83.04922	4.1
85.02815	9.8
89.02294	5.0
90.35384	3.1
95.04897	3.6
97.02845	6.4
97.06487	21.9
101.02324	6.9
103.03853	3.1
107.33341	3.9
109.06451	5.1
111.08011	8.2
123.04433	3.2
125.09591	5.1
135.04414	41.6
137.09595	3.3
143.03415	3.1
148.12782	3.2
149.09544	4.8
151.07593	3.3
151.11223	18.4
153.09099	5.1
155.10693	11.9
161.04428	10.8
163.11169	5.6
165.12791	19.9
167.10698	6.8
169.12183	4.9
179.03423	44.7
179.10695	9.5
181.12231	18.6
191.10602	7.3
191.14355	7.4
195.10185	4.1
199.17073	3.4
209.11766	48.0
210.62915	3.4
211.13304	10.0
213.30667	3.2
230.12529	4.4
242.26454	3.3
245.19092	42.1
256.23050	3.3
263.20212	7.2
271.17188	4.6
289.18082	51.3
290.18289	4.3
307.10352	10.7
307.19119	100.0
308.19650	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	307.2284
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
58.25791	0.5
59.01251	1.3
70.72012	1.0
71.01249	1.2
71.44627	0.6
110.82559	0.5
113.02327	0.6
125.59961	0.6
135.04417	1.1
150.73221	0.6
179.03351	1.6
219.36198	0.7
307.22791	100.0
308.23129	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	308.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91976	0.2
59.01247	0.9
69.53786	0.7
69.54197	0.3
71.01241	0.6
85.02820	1.3
87.96948	0.2
91.05408	0.8
93.03336	0.7
98.20531	0.3
104.73761	0.2
107.04923	2.7
108.02057	3.0
109.02835	0.5
111.00773	0.8
113.96196	0.2
121.02836	3.3
122.03629	0.6
123.00781	0.8
123.04392	0.4
124.01563	6.3
125.02363	2.6
126.03165	0.9
127.03952	0.3
133.02852	0.3
134.03644	3.3
135.04420	100.0
136.04745	7.1
137.02342	1.1
139.00291	0.3
149.02347	0.2
149.05988	0.3
150.03159	3.4
151.03915	10.0
152.04219	0.4
154.02678	0.3
161.02361	0.6
161.05978	0.2
162.02777	0.2
163.03923	0.6
167.03418	0.5
179.03423	6.1
180.03806	3.6
181.05080	0.4
196.86613	0.2
243.25801	0.2
290.07925	0.6
308.08850	3.1
309.09512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25340	0.4
61.79294	0.5
70.56309	1.3
71.01283	0.5
72.99192	2.2
73.02822	2.2
75.00752	12.7
81.81384	0.4
90.98314	0.4
93.03340	0.7
93.17183	0.5
96.95927	0.6
99.04385	0.7
113.51345	0.4
119.04927	61.1
120.05271	2.7
121.02831	0.5
126.47059	0.5
135.04401	0.5
145.02916	0.5
145.04982	5.6
163.03938	100.0
163.06049	39.9
164.04283	4.7
164.06387	1.1
309.09720	3.1
317.13330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78303	0.4
62.26758	0.5
71.34336	0.7
72.99178	5.0
75.00748	31.5
85.62042	0.4
87.04408	0.7
89.98104	0.5
90.54041	0.4
93.03336	0.7
104.95648	0.4
117.03407	0.7
119.04922	67.7
120.05273	2.2
145.02916	1.4
145.04968	5.1
163.03929	100.0
163.06041	75.6
164.04260	4.2
164.06387	2.1
185.02576	0.5
241.22520	0.4
274.50479	0.5
309.09741	4.9
310.10583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01246	10.6
61.98687	2.7
68.09707	1.8
71.01276	4.6
73.02826	2.2
74.87421	1.8
75.78880	1.7
77.81367	1.8
79.62703	2.3
85.02837	1.9
96.95906	4.6
98.20161	11.7
99.00752	5.2
101.02321	2.0
111.08029	4.4
125.09672	2.2
127.11229	1.9
141.90918	2.1
151.03906	6.6
151.07558	15.4
152.08398	12.1
153.12755	5.5
155.10684	3.3
178.87015	1.9
179.14308	2.1
181.12251	4.4
184.07307	3.1
197.11734	7.3
207.13779	5.4
209.15407	22.9
211.13289	2.3
215.12889	2.2
223.01474	2.0
227.12820	2.5
234.39597	1.9
247.20549	5.1
252.09721	2.3
265.17996	5.7
265.21652	1.8
269.06610	1.9
291.16302	3.1
291.19666	43.7
292.19928	5.5
309.11734	2.6
309.17075	36.4
309.20694	100.0
310.17441	3.3
310.20975	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85516	1.7
53.65137	1.5
56.63895	1.7
59.01250	10.9
61.98700	1.8
66.30264	1.7
71.01247	5.3
71.54356	2.8
73.02813	2.5
85.02809	2.0
96.95876	2.6
97.06470	2.4
101.02343	5.2
120.19910	1.6
121.10121	8.7
123.08037	2.9
125.09612	9.6
131.13376	1.7
137.09656	2.7
147.26485	1.7
167.36336	1.7
171.10127	5.7
173.43913	1.6
185.11778	11.1
186.55301	1.8
187.69867	1.9
187.76350	1.7
197.11700	4.2
208.49164	1.7
209.15402	2.2
211.13339	64.4
212.13672	4.2
247.20572	2.7
291.19666	100.0
292.19989	9.7
300.80835	1.9
309.11865	3.1
309.17068	4.8
309.20697	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49036	1.4
58.00481	1.6
59.01254	11.8
61.98694	2.0
69.03329	4.1
69.78258	6.8
71.01247	5.2
73.02811	3.6
85.02852	3.3
95.01257	1.6
96.95885	2.9
97.82938	1.2
98.19823	1.3
99.00738	2.9
101.02319	2.9
102.14700	1.3
106.02412	1.3
109.06449	2.5
111.00768	1.6
111.08043	30.9
111.59717	1.3
115.46613	1.3
123.04385	1.4
123.94334	1.3
127.07536	6.1
137.09552	2.3
147.06493	2.5
151.03920	6.9
151.07591	12.8
152.08368	11.3
153.12766	3.2
161.04453	2.9
167.10747	1.9
169.12245	5.9
171.10185	3.5
179.10698	1.8
181.12201	4.3
183.13756	2.2
193.08678	1.6
193.12273	1.6
195.13901	2.3
197.11771	100.0
198.12180	6.5
199.13367	3.0
208.10751	1.4
209.15402	18.1
210.15364	1.4
211.13351	17.5
227.12828	3.0
252.10004	3.6
263.20187	8.7
265.18097	5.5
273.18491	2.4
291.16385	2.2
291.19656	28.9
292.20020	2.1
309.17081	31.7
309.20734	59.1
310.17651	2.5
310.21091	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
58.00473	1.0
59.01240	1.8
69.03326	1.4
70.73326	1.7
71.83022	0.6
85.02827	1.0
90.16133	0.8
93.06970	0.8
97.00241	0.6
97.06485	1.1
99.00755	2.0
109.06467	1.4
111.08042	36.4
112.08401	0.9
127.07529	1.7
135.63835	0.6
137.09764	0.7
144.56554	0.7
151.02821	0.6
151.03923	4.4
151.07535	4.6
152.08351	4.7
153.09096	0.7
153.12775	1.1
167.33231	0.7
169.12263	7.5
171.10249	1.0
179.10677	1.5
181.12265	2.3
183.13794	1.0
191.39436	0.8
197.11769	100.0
198.12166	5.7
199.13275	3.8
208.11018	0.8
209.15433	9.1
211.13322	8.3
212.13704	0.8
214.39911	0.8
220.80579	0.7
227.12854	4.0
247.17006	0.7
252.10068	1.8
263.20206	6.0
265.18051	5.1
273.18515	1.2
291.16315	1.3
291.19620	15.3
292.20026	2.0
309.17072	12.6
309.20728	30.3
310.17587	1.3
310.21036	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
52.06845	0.7
58.00458	1.5
59.01251	1.1
69.03327	1.2
70.74694	2.6
71.01258	1.0
76.75642	0.8
83.04874	1.0
90.62531	0.8
95.04752	0.9
97.54630	0.8
100.37521	1.2
108.06538	0.9
109.06457	1.3
111.07293	1.7
111.08038	29.2
127.07523	3.1
137.09596	1.1
147.06636	0.8
151.03879	0.9
151.07483	1.8
151.11189	1.1
153.12717	2.1
169.12292	6.8
181.12160	2.2
183.13773	1.5
197.11761	100.0
198.12097	4.5
199.13364	4.5
209.15384	2.6
211.13351	11.9
227.12799	2.8
244.58788	1.0
263.20032	6.2
265.18054	3.5
273.18460	1.9
291.16348	0.9
291.19656	16.8
292.19992	2.9
309.17041	5.3
309.20642	30.1
310.21127	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	309.2073
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.74748	0.6
57.03323	1.2
59.01241	3.4
69.03342	0.8
69.82910	2.5
69.83284	1.3
71.01241	1.1
83.25008	0.6
83.25523	0.6
95.04884	1.0
97.06437	1.5
112.78535	0.6
113.09597	2.8
115.07539	1.0
123.00854	0.7
125.05962	1.3
125.55424	0.7
126.06760	0.7
139.11185	0.6
141.09099	2.1
151.03908	1.5
151.07581	3.2
152.08333	2.3
163.11147	0.6
165.12764	3.7
167.10719	0.9
167.14326	1.8
181.12300	4.3
183.13780	0.7
184.07309	0.8
193.12221	1.8
193.86240	0.8
195.13832	2.5
203.96989	0.6
209.15436	4.0
211.13409	4.7
221.15442	2.0
229.14381	1.3
239.12747	0.8
240.13643	1.7
241.14247	0.8
247.20654	4.8
265.21661	0.8
273.18613	3.8
281.21164	2.0
283.63034	0.6
291.19666	52.6
292.20029	3.6
309.17300	6.0
309.20691	100.0
310.21045	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.6
68.44202	0.4
69.60625	2.5
71.01257	0.7
75.00768	0.5
89.02322	0.5
95.39085	0.4
99.00752	1.2
101.02345	1.2
119.04926	30.7
120.05239	1.0
126.66906	0.4
129.01862	2.9
147.01799	0.5
147.02922	6.8
163.03931	100.0
164.04274	5.1
165.03972	5.0
199.41139	0.5
226.53137	0.5
311.07669	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72984	0.8
51.77734	1.0
55.01758	2.5
59.01255	2.7
66.79236	1.1
70.82513	0.9
71.01249	4.8
72.99190	1.3
73.02828	2.3
75.00749	29.7
85.85924	0.9
87.00752	11.6
89.02315	10.9
99.00742	3.3
101.02349	1.3
105.01821	14.3
119.04925	68.7
120.05264	2.5
127.76566	0.9
129.01823	7.6
131.03410	3.5
135.04411	9.2
147.02917	5.4
149.04474	28.9
161.02357	1.9
163.03937	38.9
164.04218	1.8
164.33310	0.9
165.03970	100.0
166.04332	2.6
179.03391	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18020	0.3
57.03318	1.2
59.01253	3.8
67.94577	0.3
70.05505	0.3
70.31276	0.3
71.01249	1.6
71.02541	0.6
71.66532	0.4
72.99178	1.8
75.00751	22.8
79.58933	0.3
83.01268	0.4
85.02833	1.5
85.26152	0.3
86.02558	0.4
87.00758	0.9
88.78362	0.3
89.02345	1.1
99.00757	0.5
101.02348	1.0
111.00782	0.6
117.01959	0.4
119.04924	29.8
120.05268	0.7
129.01836	3.1
129.79727	0.3
135.04466	0.6
145.02895	0.8
147.02895	9.8
149.04453	1.6
163.03929	59.6
164.04260	2.6
165.03966	100.0
166.04303	2.0
179.03423	0.5
256.93887	0.3
261.37042	0.4
311.07776	8.0
312.07788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01250	21.0
61.98708	2.6
66.98367	2.1
71.01244	3.2
71.54259	2.8
72.99193	2.5
75.00735	2.6
119.04923	3.2
125.09676	3.5
127.11149	5.4
138.72823	2.2
139.11174	17.6
155.10684	2.9
163.03932	4.5
171.10187	95.1
172.10500	3.9
183.01143	5.9
183.10193	8.5
185.11765	19.6
201.11295	14.7
275.20181	8.5
293.21216	31.9
311.16748	7.9
311.22272	100.0
311.29645	5.7
312.22559	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03318	2.0
59.01241	4.2
71.01241	1.1
83.04885	1.5
85.59514	1.0
99.08019	3.5
111.08044	2.3
113.09599	4.0
129.09120	9.4
130.52786	0.9
132.63734	1.1
151.11137	1.4
163.03850	1.2
167.14209	2.0
169.12230	3.8
171.10153	1.7
181.12270	7.9
183.01169	1.4
183.13837	2.1
193.12212	2.8
197.11758	18.0
199.13309	7.6
211.13347	29.4
212.13654	1.0
223.20821	1.0
232.21561	0.9
275.20151	2.0
293.21243	19.3
294.21463	1.9
311.22278	100.0
312.22720	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.58265	1.0
51.78035	1.0
58.21998	1.1
59.01257	8.7
63.20660	1.1
101.02256	1.2
115.07556	2.4
119.04930	2.2
163.03908	2.3
167.14320	2.5
183.01076	4.3
183.13875	2.4
195.13861	11.7
198.96243	1.3
202.38603	1.1
233.73422	1.2
244.49568	1.4
265.21744	1.9
293.21262	9.9
311.13406	2.2
311.16992	6.5
311.22296	100.0
311.29666	4.0
312.22562	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
53.51351	0.8
57.03309	2.4
59.01255	6.7
71.01249	0.9
73.84373	0.7
83.04973	0.9
98.19919	3.3
99.08057	4.3
101.02318	1.0
104.96303	0.8
113.09596	3.5
119.04893	0.9
119.46278	0.8
125.09609	1.0
127.11163	1.4
129.09122	8.0
130.85487	0.9
139.11169	2.3
149.19290	0.8
151.11192	1.6
155.10689	1.4
163.03972	1.4
169.12276	2.2
171.10188	14.6
181.12285	6.1
183.01134	1.9
183.10138	1.0
183.13809	3.7
185.11769	2.0
193.12344	1.8
197.11786	12.2
199.13339	4.8
201.11230	3.0
211.13342	21.1
224.57254	1.0
275.20117	2.2
293.21246	20.0
294.21506	2.2
311.17123	4.5
311.22284	100.0
312.22644	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	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.14637	0.2
59.01253	0.5
67.13897	0.2
69.50809	0.2
70.92001	0.4
77.03838	0.3
83.87244	0.2
87.18084	0.2
93.03349	0.2
100.89753	0.2
111.29623	0.2
121.02845	100.0
122.03185	3.3
135.25710	0.2
180.05725	1.1
181.06517	4.6
184.73593	0.2
225.05527	6.8
226.05826	0.6
255.03009	0.3
277.44003	0.2
313.03946	0.5
313.07169	12.9
314.07373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1293
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
57.03309	1.6
69.66723	7.2
72.99180	10.2
75.00748	100.0
82.67400	1.4
98.20544	1.7
135.98668	1.3
137.05980	2.2
139.92583	1.4
163.11214	1.7
207.10254	2.2
313.12936	93.7
313.46979	1.6
314.13196	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	313.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58722	1.0
57.03322	1.9
58.87591	1.1
59.01240	4.6
69.03332	1.8
71.01237	1.1
72.99183	100.0
73.99513	1.3
78.95770	1.6
83.04873	1.1
94.04910	1.0
96.95868	1.4
108.02060	7.0
109.02808	3.5
112.55289	1.0
121.06501	1.7
122.03604	3.4
123.04440	5.8
123.08010	1.3
130.24132	1.0
135.84727	1.0
136.05194	3.1
138.06714	1.2
147.08037	4.1
149.06108	1.5
161.09645	10.8
164.08371	1.5
165.05353	1.2
165.09111	2.1
170.05779	3.5
173.54758	1.1
178.09865	3.3
179.10678	8.3
191.07095	5.2
203.10712	3.6
206.09425	28.4
207.09734	1.4
221.11775	29.5
222.12155	1.2
313.13077	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	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15593	0.7
59.01253	100.0
60.01587	1.2
68.17274	0.7
68.98330	0.8
71.01240	1.2
71.53513	1.0
72.10411	0.9
75.39930	0.8
77.18217	0.8
88.87762	0.8
89.02315	1.4
101.02328	0.9
109.02835	2.2
119.03407	0.9
119.28107	0.8
121.02869	3.7
123.04395	2.9
137.02263	0.8
150.91005	0.7
192.92570	0.9
223.58145	0.7
225.22183	1.7
234.22731	0.8
253.21686	5.7
255.03043	1.6
271.22797	41.0
272.23062	3.3
283.02454	1.6
298.04724	1.4
313.03683	1.5
313.07193	3.3
313.10925	1.7
313.14481	2.3
313.23871	14.3
314.15173	2.3
314.24057	1.3
314.27115	8.9
331.84509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2703
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
56.08719	1.0
59.01249	11.2
60.01613	1.2
63.52714	0.9
70.02831	1.3
74.05983	1.1
79.35568	0.9
93.79046	1.0
101.64060	0.9
125.17639	0.9
127.23029	0.9
145.02852	1.3
153.05482	0.9
268.26453	2.8
270.24289	1.7
272.23206	2.4
296.25839	1.3
300.02832	1.1
314.27017	100.0
315.04990	1.8
315.08792	1.1
315.15933	1.7
315.27814	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.01725	0.7
57.03329	0.6
59.01263	0.9
69.03332	0.7
71.01257	1.7
71.53419	1.0
72.99156	1.5
75.00749	10.0
85.02837	3.0
86.54834	0.6
93.03339	1.1
95.01268	1.9
98.56601	0.7
101.02318	1.1
108.02059	100.0
109.02855	41.5
109.03941	1.0
110.03205	0.7
113.02384	1.1
116.56862	0.7
119.04837	0.7
121.02789	0.9
123.00784	1.7
123.04431	2.4
135.04436	1.0
139.79303	0.7
150.92424	0.7
151.03918	1.2
152.01067	63.5
153.01855	38.1
153.05493	1.4
154.02121	1.1
160.11270	0.7
163.03937	1.6
165.01842	1.3
166.01120	0.8
175.19385	0.7
217.11919	0.7
315.07230	60.7
315.14432	8.5
316.07648	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.87039	22.7
82.08775	5.3
85.02859	5.9
99.96701	4.8
102.01128	5.1
108.02051	65.6
109.02850	51.9
123.04425	8.8
132.77641	5.0
141.86237	5.0
149.35371	5.5
152.01077	53.7
153.01854	100.0
161.02356	6.9
198.89793	4.5
234.42177	4.7
288.89038	4.6
315.07239	60.5
315.16254	6.0
324.62411	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	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43593	0.6
56.65238	0.7
59.01241	0.9
63.02269	7.7
65.00196	10.5
70.65039	0.7
70.87787	1.5
81.03347	1.6
83.01257	7.8
87.55804	0.6
94.84306	0.6
99.86643	0.6
107.01275	20.3
109.02839	18.0
109.03584	0.8
109.44885	0.7
125.02337	2.4
137.02347	41.0
138.02705	1.2
151.00275	51.3
152.00674	1.0
155.03415	1.2
158.41751	0.9
163.00299	2.0
164.00996	1.5
165.01863	3.7
169.01334	5.4
178.99791	31.6
180.00131	1.7
189.29033	0.7
190.99806	1.2
192.00594	2.7
193.01335	1.6
227.03419	1.9
243.51616	0.8
248.42659	0.7
271.02451	2.5
289.03452	0.8
299.02103	1.0
317.03012	100.0
318.03372	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	317.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95903	0.3
56.04824	0.3
57.03332	0.7
67.01766	0.7
68.99684	0.9
69.03323	0.7
71.53992	0.3
71.54364	0.4
77.03854	1.0
79.01765	0.4
79.95664	0.4
81.02103	0.3
81.03343	0.4
83.01261	1.7
93.03315	2.1
95.01288	0.6
96.95892	5.9
97.02832	4.1
106.67699	0.4
107.01256	0.4
109.02831	2.8
111.00814	0.4
119.04919	0.4
121.02835	5.1
123.00771	0.9
123.04404	2.3
125.02359	1.6
135.04388	0.5
137.02342	24.5
138.02678	0.7
139.03931	0.5
149.02309	0.7
151.00349	1.7
151.07542	0.6
153.01869	0.4
163.00273	0.8
164.01028	0.6
165.01845	100.0
166.02187	3.8
167.03418	3.4
178.99858	0.6
179.03400	1.5
190.99815	0.4
205.05009	0.5
219.06557	0.5
237.07657	9.2
238.07909	0.5
299.01999	0.5
317.03055	9.6
317.06680	3.8
317.10260	0.7
317.14166	3.0
318.03503	0.9
318.06821	0.5
338.00354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0616
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
57.03322	10.3
59.01245	14.4
67.01754	8.0
68.99680	6.0
69.03336	9.1
70.40563	4.3
70.40894	9.8
71.01258	9.0
74.28430	3.9
81.03330	14.0
83.01255	16.2
85.02840	30.9
93.03359	13.2
95.01273	11.0
95.04908	11.4
97.02834	18.6
99.00747	11.7
105.46402	4.5
108.02069	6.2
109.02848	91.0
111.00763	65.9
113.02312	8.7
121.02861	26.1
121.04869	4.1
123.00775	25.5
123.04427	27.4
124.01521	6.6
125.02341	99.4
127.00248	10.1
127.03796	4.6
135.04419	11.4
137.01375	6.0
137.02357	59.2
138.02869	4.6
139.00270	44.8
139.03897	14.9
140.01106	6.2
141.01843	40.3
147.04449	7.5
149.02361	54.7
149.06046	6.5
150.03122	9.1
151.03883	15.0
153.01842	100.0
154.99805	37.6
156.00488	4.2
158.03683	5.3
159.04402	9.8
161.01266	4.3
161.02335	25.7
161.05954	4.8
163.03926	16.2
164.01100	6.7
165.01831	16.5
167.03419	13.3
173.05910	7.5
173.50182	3.9
174.03166	6.7
175.03925	21.3
177.01820	29.0
179.03381	5.7
181.01385	8.5
181.05025	11.4
183.02968	3.9
185.06046	6.4
187.03941	7.5
188.04720	4.3
189.05426	10.5
191.03391	8.6
193.01367	5.1
193.05023	6.3
194.05685	4.0
195.02875	5.1
199.03879	6.0
203.03516	6.6
205.05118	5.4
215.07442	4.8
217.04991	23.9
231.03061	5.6
235.05849	4.5
241.05008	14.7
257.04388	5.1
259.06107	15.9
275.05530	6.3
277.07074	5.7
285.04028	16.4
303.05145	32.2
321.06161	88.0
322.06458	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	321.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04031	1.7
59.01259	10.5
68.30422	1.8
71.03119	3.7
71.15459	2.2
74.33855	2.0
82.50173	1.9
85.02796	2.5
87.04386	2.4
96.95889	3.1
101.97775	1.9
109.78607	2.1
115.03902	18.0
117.03349	18.0
119.04910	65.4
120.05238	3.3
133.04962	21.3
145.02863	76.4
161.00319	2.1
163.03918	100.0
164.04297	4.4
175.06030	9.4
257.27872	2.3
274.50366	2.1
279.08835	2.7
292.44263	2.1
296.17007	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66201	0.9
59.01253	100.0
59.90941	0.9
60.01601	1.2
64.13384	0.8
71.01254	4.5
71.48705	1.0
71.54450	1.3
80.14590	0.9
85.02807	1.9
89.02311	3.3
96.95900	17.8
101.02331	2.7
106.80793	1.0
113.02348	1.3
119.03419	1.2
119.04954	1.9
136.01942	0.9
163.03970	1.0
218.16893	1.0
241.14368	5.7
246.93819	0.9
321.10147	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	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37343	16.4
56.62549	17.9
59.01254	100.0
61.76084	15.7
65.92469	18.3
71.01251	31.2
71.53163	16.9
73.02810	21.0
85.02863	19.7
88.16723	15.6
89.02300	18.0
95.01352	19.6
101.02322	20.2
113.02327	33.4
151.04103	18.9
173.04512	26.7
178.83960	18.1
257.07919	18.5
304.89746	18.1
330.24655	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92149	2.0
54.13723	2.4
59.01253	100.0
59.08523	2.4
70.77443	6.5
71.01246	6.6
85.02821	4.8
87.66763	2.2
89.02303	10.0
96.43047	2.7
101.02357	4.3
108.83675	2.4
113.02303	6.5
135.04369	2.7
137.02412	2.5
161.04468	5.1
232.31343	2.1
299.37253	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01252	11.3
68.79769	0.8
71.01249	5.1
83.01221	1.1
85.02821	2.4
89.02324	2.6
90.07401	0.7
93.65666	0.7
98.20034	6.6
101.02335	2.9
102.63646	0.8
113.02313	3.5
119.03348	1.4
123.04362	1.5
161.04436	1.8
165.09106	1.9
165.12712	1.7
229.87215	1.0
235.15184	4.0
254.89798	0.9
261.22125	4.2
270.98566	0.9
274.88065	0.9
287.20218	0.9
305.21219	100.0
306.21579	7.7
323.09790	2.5
323.16495	1.4
323.22278	19.2
324.22604	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	CHEBI:76094
Peak:m/z	Relative Intensity
57.41202	0.9
59.01245	6.3
59.05468	1.1
71.01266	3.4
71.04890	1.3
71.48601	1.1
71.54425	1.1
72.99175	7.0
73.02817	1.7
75.00746	53.6
81.03336	3.5
85.02801	2.0
87.04407	1.4
96.95873	1.7
99.04426	1.0
101.02330	2.4
117.03336	1.4
117.74158	1.0
119.04912	14.0
125.02333	2.2
133.02841	1.9
134.03653	7.5
135.04419	23.7
143.03438	4.0
145.02977	1.3
149.04463	1.8
161.02345	3.1
161.04491	10.4
163.04004	15.8
163.06032	100.0
164.06396	4.1
179.03467	10.8
179.05542	42.6
193.05032	4.0
193.07065	4.8
215.00049	1.0
228.47519	1.1
282.04193	2.2
298.03595	2.1
325.03275	2.3
325.08759	6.1
326.03018	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	325.0931
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.03595	0.4
52.85535	0.4
53.49069	0.4
59.01266	2.3
70.40885	1.0
71.01260	1.2
89.02300	0.7
93.03358	0.6
98.19839	0.4
101.02307	0.5
117.03371	6.6
119.04927	100.0
120.05264	4.1
137.16753	0.4
145.02869	29.3
146.03210	1.0
150.57112	0.4
161.05992	0.5
163.03934	58.8
164.04283	3.0
187.03923	0.9
193.07121	0.7
205.05049	0.6
250.72102	0.4
279.18243	0.4
318.46829	0.4
325.09283	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	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.9
69.58114	0.8
69.58527	1.5
71.01253	4.1
72.99171	0.5
73.02830	1.1
85.02831	1.1
87.00726	0.5
89.02313	2.5
93.03318	0.8
98.20599	0.7
101.02338	2.3
113.02322	1.5
117.03348	15.9
118.03716	0.3
119.03455	0.6
119.04913	6.3
123.04447	0.4
133.02869	1.4
133.06468	0.8
135.04375	0.4
145.02853	100.0
146.03188	5.3
151.03964	0.7
159.04472	0.4
161.04675	0.6
161.06024	1.9
163.03911	9.1
164.04243	0.4
165.10873	0.3
177.01790	0.5
177.05559	0.4
178.02676	0.4
187.03917	3.0
191.05550	1.7
193.07140	1.8
200.25636	0.3
205.05011	1.9
235.06102	0.8
236.32472	0.4
265.07175	2.9
307.19241	0.4
325.09018	4.3
325.20474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45294	0.4
55.77955	0.4
58.04102	0.4
59.01252	7.7
59.08918	0.4
59.32228	0.3
59.37163	0.4
69.45047	2.5
71.01254	4.7
72.99189	0.6
73.02834	0.9
85.02837	1.1
89.02313	2.2
93.03327	0.8
95.01281	0.5
101.02332	1.4
113.02328	1.3
117.03353	25.4
118.03687	1.0
119.03396	0.5
119.04912	6.4
123.04433	0.5
128.13922	0.4
133.02855	0.8
133.06523	0.8
145.02858	100.0
146.03210	5.2
148.39331	0.5
159.04413	0.5
161.04703	0.4
161.06020	1.3
163.03922	9.0
164.04285	0.6
168.25580	0.5
177.05412	0.6
179.05611	0.4
182.36716	0.4
187.03928	3.2
191.05513	0.7
193.07147	1.9
205.05048	1.3
235.06024	0.5
250.08232	0.4
265.07233	2.3
270.24576	0.4
325.09052	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	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01254	0.7
67.21582	0.3
71.01261	3.1
71.11422	0.6
73.02824	1.5
84.43974	0.3
85.02820	1.3
91.05407	0.9
98.04805	0.3
101.02332	2.6
101.03836	4.4
113.02335	2.0
117.03376	2.3
119.04918	100.0
120.05254	4.4
159.02930	1.0
161.04462	2.6
163.03923	6.2
163.06029	0.4
199.06848	0.3
212.33192	0.3
263.75830	0.3
325.09283	5.3
326.09753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96035	0.4
59.01254	0.9
69.46119	0.3
69.46392	2.6
71.01250	0.6
72.99183	5.1
73.02808	0.5
75.00748	33.5
87.04408	0.8
101.02344	0.6
105.14627	0.4
119.04911	0.6
133.02855	0.9
134.03638	2.3
135.04419	27.5
136.04742	1.2
145.04968	0.7
159.51509	0.4
161.02344	3.3
163.06036	100.0
164.06395	3.6
179.01842	0.8
179.03424	13.8
193.07101	0.9
216.16246	0.4
242.73463	0.3
295.04932	0.3
304.98209	0.3
325.09204	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	325.0929
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
56.02398	0.2
57.03312	0.3
58.00452	0.2
59.01249	5.2
70.29652	0.5
70.30050	0.5
71.01247	2.7
73.02789	0.3
85.02824	1.0
89.02305	2.2
93.64741	0.3
101.02345	1.4
105.74319	0.2
113.02328	1.3
117.03351	18.8
118.03706	0.8
119.03407	0.8
119.04918	5.9
120.05191	0.3
133.06531	0.5
145.02855	100.0
146.03195	4.7
159.04393	0.5
161.05997	1.2
163.03932	8.0
164.04265	0.7
187.03952	2.8
191.05522	0.6
205.04977	1.5
224.65297	0.3
235.06154	0.3
250.22726	0.3
265.07132	1.5
301.62543	0.3
325.09232	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.86192	2.2
57.03340	2.6
59.01262	31.8
61.98706	3.5
70.59299	5.5
71.01263	19.9
71.04905	2.8
73.02826	7.3
83.04902	5.7
85.02829	7.8
89.02332	5.8
97.06480	5.3
99.08018	5.3
101.02332	9.9
113.02309	5.7
119.05009	3.0
122.31751	2.4
125.02337	3.2
125.09618	7.2
127.07543	18.6
130.34972	2.4
139.07578	4.3
145.02888	3.9
153.09137	23.1
155.10739	4.6
161.04465	3.5
163.05989	5.1
163.11197	5.6
165.12798	3.1
171.10222	22.0
178.09946	3.5
181.12312	3.8
185.11786	22.7
192.53236	2.5
193.07143	32.6
197.11816	20.9
204.78795	2.5
209.11797	82.4
209.13795	4.3
210.12115	4.5
223.43147	2.6
238.12059	6.7
245.19142	3.2
256.13101	4.5
289.18097	10.1
298.08566	2.3
307.19177	100.0
308.19525	9.7
325.08035	2.6
325.11728	16.6
325.16608	3.5
325.20242	42.9
325.31244	3.1
326.20480	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
55.08643	0.5
55.14793	0.6
56.93732	0.5
59.01249	3.3
60.52396	0.6
64.59571	0.5
71.01260	1.8
73.02805	1.3
79.95613	1.0
83.72045	0.6
85.02838	1.0
89.02314	0.7
98.19813	2.0
101.02309	2.2
119.04958	0.8
147.08011	0.7
149.09628	85.5
150.09921	3.5
163.11201	100.0
164.11531	5.7
183.01146	26.9
184.01726	2.6
193.07109	4.6
197.02797	0.7
208.72670	0.6
216.00899	1.8
281.28192	0.7
325.11667	2.3
325.18375	51.1
325.21786	83.5
325.27734	2.4
326.18658	4.9
326.22101	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35402	0.4
55.01759	1.9
59.01253	1.9
69.84213	1.6
71.01250	1.7
72.99175	0.9
73.88388	0.3
75.00746	39.0
76.01105	0.5
85.02843	0.8
87.00750	5.4
89.02319	1.4
93.03353	0.7
99.00762	0.7
101.02332	1.1
105.01814	6.8
107.04928	0.6
109.02837	0.4
117.01818	1.2
117.53233	0.3
129.01828	7.9
134.03629	1.8
135.04416	23.3
136.04749	1.0
143.67255	0.4
147.02876	3.1
148.42952	0.4
161.02345	0.4
165.03958	100.0
166.04286	2.9
168.47118	0.3
179.03409	11.2
180.03806	0.5
191.05582	1.5
205.04680	0.4
251.00151	0.4
297.04175	1.8
312.06445	0.6
320.44885	0.4
327.08334	1.2
327.21735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21829	0.5
55.01758	2.3
58.17247	0.4
58.22638	0.5
59.01238	3.2
71.01257	1.8
72.99165	1.1
73.49887	0.4
75.00745	39.7
76.46085	0.4
77.12526	0.4
78.82140	0.4
85.02877	0.6
85.30293	0.5
87.00752	2.2
89.02288	0.6
98.19759	1.0
105.01832	1.6
107.04903	0.7
109.02811	0.7
117.01804	0.5
119.04968	0.7
123.04409	0.6
125.02354	0.6
129.01839	5.6
133.02875	0.6
134.03676	0.8
135.04427	13.1
137.02379	0.8
147.02899	3.0
161.02319	0.7
165.03961	100.0
166.04286	2.6
179.03429	7.6
180.82205	0.6
215.29744	0.6
229.08954	0.7
233.62820	0.5
289.07291	0.7
297.04044	1.6
327.07486	2.2
327.22183	0.8
328.08224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
58.00465	2.7
59.01251	39.6
59.01533	2.4
71.01252	29.5
71.34164	3.0
72.01529	1.4
72.99184	6.8
73.78529	1.6
75.00748	26.8
83.01282	1.9
85.02836	8.4
87.00758	13.4
89.02319	18.0
91.05427	2.1
93.03352	2.0
95.01268	3.6
96.56489	1.9
99.00774	3.1
101.02325	14.6
105.01830	11.3
107.04932	9.8
108.02032	5.5
109.02847	13.8
113.02330	8.2
119.03407	6.1
119.04939	6.7
121.02861	3.2
123.00774	2.3
129.01849	4.6
134.03632	5.8
135.04420	45.1
136.04710	1.6
145.02899	2.0
147.03004	5.4
147.04422	90.6
148.04793	2.4
162.03122	2.3
165.03978	100.0
165.05446	13.9
179.01834	3.1
179.03418	63.1
180.03795	1.5
297.04047	2.6
327.07193	3.3
327.10934	58.2
327.21671	3.0
328.11243	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	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00949	3.7
58.00463	5.3
59.01248	100.0
70.92354	8.8
71.01250	68.5
74.85333	3.8
76.80285	4.1
84.10371	3.3
85.02808	10.0
89.02316	76.7
96.32894	3.8
101.02331	29.6
113.02315	19.3
119.03374	29.6
131.03397	4.9
147.04414	87.2
165.03925	4.5
191.82263	3.8
209.77531	4.9
226.59839	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69284	2.1
55.01759	2.8
59.01249	34.0
59.49253	2.3
62.77777	2.4
66.69791	2.9
70.45369	5.2
71.01255	18.3
72.99168	3.6
75.00754	9.2
85.02827	7.6
86.40257	2.6
87.00794	4.4
88.59740	2.2
89.02319	20.2
93.03341	3.0
94.42385	2.4
101.02351	15.2
105.01818	6.5
106.04157	2.7
107.04914	5.1
109.02847	7.1
113.02347	7.5
119.03374	9.9
119.04929	5.0
126.51704	2.5
129.01802	2.5
129.50340	2.7
134.03665	2.9
135.04430	25.7
147.04417	98.5
148.04742	5.2
156.19212	2.5
162.03021	3.9
165.03995	85.4
165.05461	16.7
171.37099	2.7
179.03413	63.2
179.54103	2.3
180.03780	5.0
235.83713	2.6
297.04132	4.8
327.10864	100.0
327.21683	3.0
328.11328	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.44587	0.7
57.03318	2.6
59.01250	2.0
59.32787	0.6
68.34174	0.6
69.03328	2.5
69.77297	2.6
71.01255	1.4
71.70668	0.6
83.04875	0.7
84.02049	0.6
85.02834	11.4
89.02341	1.3
95.04880	0.8
97.02830	1.3
97.06460	3.9
121.02871	0.9
125.09631	1.8
127.11193	1.9
137.09648	3.2
155.10693	1.0
160.30960	0.7
165.12718	1.3
166.79034	0.8
171.10194	25.6
177.12778	1.3
183.13904	4.3
185.11752	1.7
192.82649	0.7
193.12297	2.0
201.11263	1.4
209.11775	2.0
211.13374	18.7
212.13676	0.9
221.11813	3.1
229.14404	12.8
230.14731	1.1
239.12891	2.6
283.77972	0.8
291.19632	3.3
297.04092	2.1
309.20636	1.4
327.08929	1.7
327.21796	100.0
328.22150	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	328.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	6.8
65.99715	3.5
70.74388	3.5
70.74721	5.1
75.00742	6.7
81.03351	3.7
83.01281	3.4
93.03323	4.6
97.02817	4.2
107.04943	3.4
109.02850	39.4
121.02831	9.7
122.02305	3.9
123.04421	19.3
125.02323	29.1
132.04510	4.7
135.04425	11.4
137.02342	51.6
139.03897	14.3
145.02878	7.6
148.03964	8.8
149.02362	22.4
150.03154	4.3
151.03932	26.4
160.03902	5.5
161.02332	13.9
162.05537	6.9
163.03934	9.1
164.00987	5.6
164.03444	9.8
165.01881	21.5
165.03949	24.2
166.04312	4.4
167.03419	11.0
172.03896	17.7
173.05995	3.9
175.03902	8.5
176.03412	6.9
177.01810	5.8
178.02592	5.0
179.03418	19.0
180.51775	3.9
183.21349	3.2
184.03741	4.1
190.05089	9.7
191.03377	9.0
201.05620	3.5
205.04994	7.7
213.05493	9.9
215.07085	51.9
233.08092	18.1
239.07080	4.3
242.08176	5.4
243.06615	4.1
244.05890	3.5
257.08133	17.0
259.06119	10.2
275.54132	3.1
283.06042	3.7
284.09091	9.7
301.07162	52.4
310.07175	9.2
328.08273	100.0
329.08823	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.63648	0.5
59.01228	2.0
69.21485	1.4
69.21896	3.8
88.90428	0.6
93.03314	1.5
96.95894	7.6
98.19822	1.0
109.02843	2.3
121.02848	27.2
122.03187	0.9
135.04405	3.6
136.01602	0.7
147.04425	9.3
148.04779	0.6
154.95064	0.5
159.04405	3.0
167.07077	0.8
176.83974	0.5
180.36089	0.5
192.07837	0.9
196.05214	1.6
197.05859	0.7
210.06770	0.9
211.03900	1.4
212.04724	5.6
213.05223	0.6
213.09169	0.7
222.06606	0.7
223.07588	0.9
225.05638	1.3
225.09116	1.1
226.06297	2.6
227.10799	0.6
237.05508	1.1
240.04176	4.5
240.07877	0.8
241.04756	0.5
241.08673	3.9
243.10182	2.4
250.06323	0.8
251.07130	2.5
252.07527	0.8
253.05064	1.3
253.08630	2.2
254.05823	7.0
255.06326	0.8
255.10216	1.7
263.07129	1.7
268.07413	1.5
269.08179	80.6
270.08585	8.3
271.09750	8.8
281.08188	12.2
282.08643	2.2
283.09882	4.2
284.10345	0.7
286.04865	1.6
297.07788	0.6
298.08401	1.6
299.09235	60.3
300.09598	5.1
313.10699	1.2
314.11600	78.3
315.11932	7.0
329.13937	100.0
329.23053	2.2
330.14307	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	329.176
Annotation	Carnosol
Peak:m/z	Relative Intensity
56.65717	0.6
59.01247	2.4
65.72002	0.7
70.45330	2.1
93.03351	4.7
108.02073	0.7
109.02137	1.1
109.02852	15.6
121.02856	50.2
122.03648	35.4
123.04459	3.8
124.01595	4.2
135.04408	1.6
136.01535	1.4
136.05211	2.7
137.02339	8.2
149.05997	8.7
154.02640	5.7
163.07564	0.8
168.04218	1.3
177.09122	1.1
186.94284	0.8
189.09232	1.3
205.86003	0.7
240.07941	1.0
271.02213	0.7
299.01953	1.0
313.14661	0.8
314.15256	51.2
315.15591	5.4
329.17596	100.0
330.06937	0.7
330.17923	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	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03315	1.1
59.01255	1.6
59.35818	0.3
65.41132	0.3
69.03326	0.7
71.01276	0.4
71.04884	0.4
71.53705	0.4
83.04900	1.0
85.02825	0.3
89.32315	0.3
90.66888	0.3
96.95875	0.4
97.06451	0.6
99.08042	6.2
125.09631	1.9
127.11180	3.0
129.09131	0.5
137.09657	0.7
139.11174	3.0
155.10738	0.4
155.14354	0.9
157.12125	0.4
165.12785	0.7
167.10678	0.4
167.14301	1.7
171.10199	11.0
172.10506	0.5
183.13852	6.4
185.11765	0.5
193.12315	2.1
194.76540	0.3
199.13368	0.4
200.60966	0.3
209.11761	1.1
211.13351	32.0
212.13641	1.9
229.14421	18.3
230.14737	0.8
231.13919	0.3
249.14842	0.5
271.02374	0.5
293.21307	0.9
299.01993	0.7
311.22290	1.1
329.06647	0.8
329.23331	100.0
330.23685	9.3
351.80411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29304	3.3
63.02269	8.4
65.00187	20.7
67.01749	5.0
68.99692	4.0
69.25768	16.4
69.26196	19.0
71.01253	6.0
77.36871	3.6
83.01250	13.7
84.73593	3.6
93.03323	5.6
95.01250	29.9
96.11691	3.7
96.95879	13.8
96.99158	6.4
99.00739	4.8
107.01279	33.9
109.02858	7.7
109.99956	24.7
111.00781	26.8
114.53838	4.3
117.03336	5.0
119.04909	5.2
123.00774	41.7
125.02316	5.3
133.02768	5.9
135.00761	6.9
136.98672	11.1
137.02325	9.1
137.99443	13.5
139.00276	64.5
147.00816	5.3
147.04396	6.8
149.02354	8.3
149.99651	3.9
151.00285	87.8
159.04416	9.5
161.02402	4.4
163.00258	21.8
164.00969	5.7
164.98293	17.8
165.01787	10.9
165.99014	31.2
166.99777	52.6
169.01314	16.9
173.02332	5.5
175.00194	6.2
175.03905	7.6
176.01071	3.8
177.01875	7.1
177.98970	4.6
178.99788	100.0
185.02365	10.1
187.03947	15.6
189.01859	6.9
190.99803	40.5
191.03453	7.1
193.01401	4.9
193.98502	17.7
194.99258	41.5
197.02289	3.5
199.03934	3.7
201.01778	5.3
202.99809	5.4
203.03426	6.2
206.99249	38.3
213.01845	14.4
215.03461	10.0
217.01271	4.6
219.02852	8.4
229.01360	6.1
231.02905	19.1
237.46169	4.3
241.01291	8.4
243.02870	8.0
245.00862	11.2
247.02501	6.1
257.00894	8.9
259.02426	28.4
271.02438	6.0
275.02094	18.7
281.27716	3.7
285.00415	19.6
287.02005	20.3
301.03467	5.3
303.01520	20.9
312.99802	11.6
331.00888	48.3
332.01422	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	331.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02256	12.4
65.00189	21.5
67.01743	7.2
67.04723	5.2
71.54338	9.8
71.72765	7.2
83.01257	7.5
86.97900	6.1
90.00767	5.8
95.01248	20.5
96.95901	26.4
107.01283	30.0
109.02882	9.1
109.99988	18.2
111.00758	21.9
123.00782	36.9
130.08525	5.9
133.02855	6.7
136.98688	14.8
137.02342	9.7
137.99489	6.9
139.00262	55.1
149.02373	9.9
151.00291	78.1
153.01910	5.6
163.00298	15.0
163.03940	9.1
164.98203	18.0
165.01915	9.9
165.98975	23.9
166.99808	45.8
169.01312	17.4
175.00287	6.2
178.99786	100.0
180.00218	6.5
185.02249	7.8
187.03960	8.6
189.01828	13.1
190.99823	38.0
191.05681	6.1
193.01324	6.9
193.98511	22.0
194.99274	42.6
201.01825	7.4
203.03284	8.4
206.99339	39.9
213.01959	14.7
215.03375	7.9
217.01421	9.6
231.02884	21.4
241.01317	7.1
245.00954	9.8
257.00812	10.8
258.01434	8.4
259.02548	30.1
275.01987	13.2
285.00381	14.8
287.01981	19.5
287.10361	10.4
288.02228	6.1
303.01483	20.4
312.99799	12.4
313.03345	7.1
331.01068	52.7
331.08548	11.1
331.12073	9.5
332.01547	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.68791	0.6
65.00163	0.6
69.03323	2.7
71.53936	1.0
73.02848	0.6
78.95804	0.7
81.03321	1.8
83.01258	2.3
93.03324	0.9
95.01262	0.8
97.02868	3.2
99.95998	0.7
107.01277	1.6
118.47857	0.6
119.04908	0.9
121.02853	1.9
123.00752	3.5
124.01555	15.4
125.02341	66.8
126.02680	1.8
137.02348	0.9
139.03925	23.9
140.04315	0.8
149.98291	1.3
149.99504	25.7
151.00294	7.2
151.03923	0.8
160.89594	0.6
167.03426	1.3
168.00565	51.1
169.01352	21.5
169.04984	31.3
169.06084	0.7
170.01662	0.9
170.05338	1.5
179.03365	0.8
191.05508	1.7
193.01414	1.5
211.02438	2.0
247.49115	0.7
287.11533	1.3
313.05692	5.9
331.06729	100.0
331.10233	8.0
332.07010	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	331.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10383	0.4
57.03315	0.8
59.01235	1.1
66.16573	0.4
71.01271	0.6
79.95611	34.8
80.96400	1.9
87.04394	7.6
95.49162	0.4
96.95898	2.5
101.02392	0.5
101.05982	0.6
124.01527	0.6
133.06491	0.7
135.08061	13.4
147.08061	2.0
163.11208	6.9
171.47661	0.4
191.10757	1.0
205.12299	1.0
215.14400	0.6
225.56619	0.5
233.15414	4.5
235.13335	6.9
249.14998	2.4
251.16513	40.7
252.16896	3.6
331.12201	100.0
332.12543	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	331.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88116	0.3
57.03333	0.8
59.01262	0.7
71.01263	0.5
71.54684	0.3
79.59734	0.3
79.95608	32.4
80.96398	2.0
85.02832	0.3
87.04395	7.2
96.95896	1.7
98.95470	0.4
101.02332	0.3
101.05989	0.9
113.02296	0.3
122.03635	0.3
133.06529	0.4
135.08057	12.5
136.08418	0.6
147.08064	2.2
148.86559	0.3
149.74419	0.3
151.03860	0.3
161.04449	0.4
163.11206	6.5
163.43250	0.3
164.11491	0.4
175.11172	0.4
188.20860	0.3
191.10762	1.6
191.12221	0.3
205.12277	1.1
215.14310	0.5
231.13992	0.3
233.15446	4.5
234.15648	0.3
235.13380	6.2
236.13560	0.6
249.14946	3.0
251.16504	38.7
252.16821	2.8
331.12195	100.0
332.12534	8.2
351.33527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01743	5.7
57.03333	5.8
58.00466	5.0
59.01251	71.0
71.01255	100.0
72.01600	2.3
72.99174	5.3
73.02818	26.8
75.00759	1.6
81.06984	2.3
83.01250	8.6
85.02827	39.9
86.00005	2.4
87.00752	7.0
89.02319	43.0
93.03367	1.1
95.01289	6.5
96.95903	12.6
97.02838	1.3
99.00753	9.9
101.02328	73.9
101.05931	1.2
111.00784	1.5
113.02334	43.0
113.09660	1.1
114.02727	1.3
119.03386	18.6
120.99516	2.7
121.28214	1.0
125.02302	2.9
131.03413	2.7
139.00372	1.4
143.03391	4.2
151.00291	1.4
153.01826	1.8
159.02919	7.6
159.06526	3.7
161.04466	39.4
168.43182	1.1
179.05573	2.2
189.30800	1.1
199.11530	3.2
209.11723	2.5
243.10851	1.2
285.14667	1.2
331.04147	1.8
331.08368	2.2
331.12173	13.0
331.17633	16.2
332.12430	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	333.0251
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
53.02926	4.0
54.15267	4.6
59.01249	16.7
63.02269	8.9
65.00203	21.2
68.99681	5.6
69.03329	7.2
69.29350	44.6
71.01268	16.4
83.01266	24.4
89.02322	9.3
95.01270	22.4
96.95905	15.2
97.02853	8.4
99.00771	21.7
99.20543	4.7
101.02348	6.9
107.01263	41.2
108.02119	5.1
109.02845	76.7
111.00771	33.8
116.49055	5.0
120.46667	5.7
123.00790	34.6
124.01553	8.0
125.02354	93.4
133.02861	55.2
135.00761	18.1
136.98720	17.1
137.02344	17.4
139.00293	48.5
141.01871	46.2
149.02344	9.1
151.00270	100.0
152.01114	9.7
153.01877	55.0
159.04460	5.3
161.02292	7.7
161.06102	5.7
163.00334	32.9
164.01053	9.7
165.01843	8.2
166.99802	48.3
168.00502	32.2
169.01396	55.0
171.04446	8.9
174.02962	5.5
175.00465	6.1
175.03946	8.6
177.01889	14.7
178.99806	98.0
185.00897	5.9
187.03990	13.3
189.01915	9.4
190.99792	28.3
191.03357	7.8
193.01408	13.6
194.99358	31.3
197.00836	14.8
199.03958	5.6
203.03424	9.4
204.97752	20.6
205.01399	17.8
205.05103	6.1
206.99278	54.8
208.00063	14.5
209.00833	15.8
215.03445	17.3
217.05016	14.7
219.02963	13.5
222.98830	70.7
223.99553	21.4
227.03496	10.4
231.02802	7.3
233.00931	6.0
233.04549	18.6
243.02983	14.0
247.02467	7.4
253.07109	11.1
259.02536	6.9
261.04065	9.2
271.02496	24.8
287.01840	26.4
288.02432	7.0
289.03491	9.0
300.03012	5.9
305.03232	7.9
315.01471	43.9
333.02493	77.2
333.10104	6.5
333.13834	11.7
334.03027	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	333.025
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
50.08431	3.2
56.57651	3.2
57.03328	4.4
59.01236	9.7
63.02264	10.8
65.00189	20.4
67.01777	4.8
68.99706	4.3
69.03317	3.3
74.73007	2.6
81.03339	7.0
83.01258	25.7
93.03336	5.0
95.01257	24.2
96.95904	6.8
96.99181	4.7
97.02846	7.4
99.00754	30.2
107.01261	36.4
108.02085	3.3
109.02847	75.6
109.99908	4.4
111.00770	35.9
119.01248	5.0
121.02843	5.5
123.00757	37.3
123.04324	3.6
124.01569	10.2
125.02336	62.2
131.04962	3.6
133.02855	49.0
135.00784	13.1
136.98743	17.0
137.02353	19.1
139.00262	60.6
139.03873	4.7
140.01013	5.4
141.01836	62.8
143.04932	6.9
147.04454	6.8
149.02333	13.6
149.99480	8.3
151.00276	91.9
152.01051	14.9
153.01862	48.0
154.02135	3.1
154.99745	7.5
159.04431	10.5
161.02345	13.3
161.06015	3.5
163.00304	35.4
163.03885	3.4
164.01045	4.9
165.01842	12.7
165.98918	4.8
166.99765	43.1
168.00560	32.5
169.01349	50.7
171.04477	5.8
171.10202	5.8
174.03125	5.8
175.03911	13.6
176.98236	4.3
177.01834	12.7
177.98970	3.8
178.99786	100.0
180.00175	6.7
181.01349	3.6
187.03903	10.7
189.01857	5.7
189.05550	4.4
190.99796	27.0
192.00365	5.1
193.01357	11.9
194.99237	29.1
197.00880	15.4
199.03889	5.4
201.01839	6.0
202.02513	3.3
203.03409	11.4
204.10545	3.5
204.97755	12.1
205.01338	17.9
205.98505	7.1
206.99292	56.5
207.99971	11.1
209.00854	24.2
215.03407	9.0
216.42816	3.7
217.05013	10.7
222.98795	58.4
223.99553	19.8
227.03401	10.9
229.01341	3.9
231.02914	4.8
233.00925	7.1
233.04478	13.7
242.02089	4.4
243.02916	17.8
245.04480	10.1
247.02458	9.6
259.02380	13.6
261.04007	12.9
271.02432	26.4
287.01974	30.2
289.03528	11.8
305.02917	11.3
315.01483	45.4
316.01779	4.8
333.02463	68.6
333.13855	10.4
334.02921	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	333.0253
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
56.92182	7.0
59.01247	9.7
62.32509	7.2
63.02271	8.0
65.00201	24.3
68.99672	6.7
69.14374	7.1
71.01257	21.5
71.33628	15.3
77.47646	6.9
83.01254	31.7
95.01266	20.5
96.95894	33.5
99.00755	27.7
100.31377	7.6
107.01281	35.1
109.02841	96.4
111.00770	43.2
123.00750	46.3
125.02327	65.8
133.02843	44.6
135.00787	15.4
135.04390	22.2
136.98737	13.7
137.02350	25.2
139.00294	84.3
141.01814	77.2
144.31543	8.3
147.04366	13.6
149.02365	18.8
151.00258	98.8
152.00977	12.2
153.01834	58.8
161.02344	13.2
161.87392	7.8
163.00237	42.9
163.03937	14.2
165.01813	14.3
165.99016	8.0
166.99799	48.2
168.00549	31.5
169.01308	55.9
171.04413	9.8
173.02498	8.0
177.01831	18.0
178.99768	100.0
179.03398	13.8
187.03954	12.3
189.01894	11.0
189.05574	10.4
190.99809	31.3
193.01358	15.6
194.99278	38.7
197.00859	26.4
199.03850	12.5
203.03410	9.0
204.97728	11.6
205.01347	26.4
205.98582	8.9
206.99286	81.1
207.99957	11.8
209.00789	17.5
215.03433	12.3
217.04854	11.7
222.98755	67.3
223.99570	25.0
233.00827	13.2
233.04475	23.7
237.31215	8.3
243.03011	20.8
245.04428	11.7
247.02493	11.0
259.02426	10.8
271.02530	32.3
287.02008	38.4
289.03549	9.5
315.01477	68.6
324.59192	8.5
333.02429	78.0
333.13773	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	333.0287
Annotation	CCRIS 824
Peak:m/z	Relative Intensity
57.03325	6.8
66.83368	0.4
71.03065	0.6
79.16579	0.3
81.03336	2.9
83.01248	1.5
83.04907	2.8
88.29148	0.3
92.50128	0.3
93.22504	0.3
123.08035	2.7
123.31902	0.3
125.02337	100.0
125.05970	18.3
126.02676	3.2
126.06320	0.9
143.06972	0.5
147.08096	0.4
151.00258	0.4
165.09221	0.6
166.09450	0.3
209.08145	0.3
253.07161	51.9
254.07521	3.2
333.02841	13.1
334.03058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
51.66434	0.6
55.35355	0.6
69.54559	0.8
69.54963	2.8
78.95784	100.0
96.95908	1.2
96.96851	19.0
105.27443	0.5
150.97928	0.7
152.99507	59.4
153.99850	0.7
171.00589	7.2
179.18829	0.5
207.36847	0.5
223.00055	0.9
241.01178	29.5
242.01550	0.8
259.02167	1.8
270.74228	0.6
287.61441	0.6
333.05948	52.6
334.06265	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70401	0.5
69.23459	0.5
69.42703	3.6
69.62392	0.5
78.03336	0.7
78.95774	0.7
80.04921	0.7
92.04942	2.7
94.06500	3.9
96.95889	9.1
98.95477	0.5
103.04192	0.7
104.04926	3.6
105.03332	2.6
106.06506	12.5
107.03643	0.8
108.04402	1.6
117.03400	0.6
120.04435	6.0
121.05194	1.8
122.02419	0.8
122.06011	13.3
123.03135	2.0
123.06318	0.6
124.07526	0.7
125.02399	0.6
131.03694	0.9
132.04443	8.5
136.03932	0.5
138.05504	23.5
138.06572	1.1
139.05884	0.8
145.02740	0.5
147.04446	1.0
148.03984	1.0
150.05511	2.3
151.00227	0.7
152.03439	0.5
166.05009	1.1
168.06549	0.7
170.22253	0.5
171.78537	0.5
174.12773	0.7
175.43797	0.6
179.00148	0.6
189.07872	1.0
197.07239	0.5
202.12383	0.5
213.06477	0.6
215.11839	1.7
217.07423	1.6
224.46877	0.6
226.07332	0.7
227.08217	0.7
228.08879	0.8
231.11230	0.7
241.09795	3.3
243.11287	2.1
260.06406	0.6
271.10852	0.8
289.11942	100.0
290.12271	8.7
325.32645	0.6
333.06158	1.0
333.10776	4.8
333.13675	3.7
333.63269	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	335.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21529	0.4
51.51904	0.5
52.47555	0.5
55.01769	2.1
59.06793	0.5
69.03314	1.0
70.92276	0.7
71.04897	9.0
74.99008	0.6
79.34409	0.5
86.02756	0.5
93.03345	1.8
95.04905	21.3
96.05233	0.7
96.95868	3.9
97.02829	31.0
98.03198	1.2
103.94713	0.5
111.04424	0.9
112.50681	0.6
115.03880	3.8
121.02850	0.9
125.02325	6.3
131.89326	0.5
134.03690	0.6
135.04424	3.0
137.02292	1.1
139.03911	76.0
140.04227	2.9
161.02341	1.2
165.01860	3.9
169.01358	13.7
179.03427	2.5
179.73404	0.6
183.02910	100.0
184.03281	3.3
219.94051	0.6
221.94792	0.6
245.19620	0.5
260.03549	1.0
264.62231	0.6
321.52634	0.5
335.04160	0.6
335.07889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01252	0.4
59.52767	0.4
62.19053	0.3
69.21583	0.8
69.21985	2.7
71.01288	0.4
73.02828	1.6
81.03303	0.5
83.04906	1.9
83.36569	0.3
85.02835	0.4
91.05379	0.6
93.03336	12.2
99.00774	0.8
107.04917	1.6
109.02836	0.6
111.04400	3.8
133.02846	9.0
134.03653	5.8
135.04416	100.0
136.04761	4.7
137.02336	4.9
151.00331	0.3
155.03416	1.9
158.59485	0.3
161.02350	22.1
162.02713	1.1
173.04497	2.0
176.99408	0.5
179.03419	85.6
180.03738	4.0
215.03423	0.4
235.24840	0.4
243.02966	0.4
290.64801	0.4
291.08792	0.5
311.61523	0.4
316.27100	0.4
335.07712	26.8
335.20831	0.5
336.08023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31162	2.6
73.02795	1.4
81.03325	1.9
83.04903	5.1
93.03339	34.0
107.04896	1.6
111.04411	17.4
113.46548	1.1
121.90529	1.2
133.02858	22.9
134.03676	7.8
135.04422	100.0
136.04732	3.3
137.02348	12.1
139.03848	1.8
155.03416	11.2
155.73820	1.1
161.02351	50.3
162.02730	1.8
173.04494	3.8
178.02628	1.7
179.03423	88.9
180.03719	4.3
189.09831	1.1
247.09778	1.6
313.13678	1.2
332.65366	1.3
335.07690	24.7
335.11682	1.4
336.08072	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	335.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96408	0.3
53.86937	0.3
59.01246	0.3
64.52188	0.3
71.41126	0.5
73.02829	0.8
81.03327	0.5
83.04910	1.5
85.02837	0.5
86.50510	0.3
93.03339	10.3
94.03680	0.3
99.00758	0.4
99.04392	0.6
107.04919	0.8
109.02844	0.8
111.04408	3.6
116.31030	0.3
119.30368	0.3
119.86984	0.3
133.02849	5.0
134.03662	2.6
135.04419	87.9
136.04765	4.0
137.02335	5.7
155.03442	2.2
161.02354	24.6
161.04327	0.4
162.02675	1.1
167.19154	0.3
173.04527	2.4
178.06482	0.4
179.03423	100.0
180.03758	5.2
291.08682	0.5
335.07721	28.7
336.08093	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	335.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24837	2.2
58.25840	1.9
59.01252	31.6
61.62428	2.7
65.03831	2.6
70.04169	7.9
71.01254	29.2
72.99186	2.9
74.90685	2.2
77.68977	2.0
83.01261	3.2
83.04906	7.9
85.02822	4.7
89.02309	13.2
93.03331	100.0
94.03651	2.6
99.00748	3.2
100.07568	3.1
101.02322	8.6
107.04932	2.1
109.02786	2.2
110.85263	2.3
111.04416	21.0
113.02305	6.4
114.05501	2.5
128.07047	4.7
137.02341	60.5
154.99767	2.8
155.03387	30.4
173.04483	2.5
174.07611	7.7
177.14319	2.3
197.39075	2.2
204.38257	2.1
335.09714	5.6
335.13510	5.3
336.13092	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25932	9.4
59.01255	27.4
70.23593	31.3
71.01268	20.8
73.02869	11.7
76.19654	8.4
78.95777	10.2
85.02849	14.7
89.02317	23.4
93.03345	100.0
102.68341	9.7
111.04425	51.2
132.42677	9.6
137.02357	74.9
154.99814	17.7
155.03439	50.6
158.30481	10.0
173.04471	44.7
179.03323	11.9
237.28691	10.0
335.06113	9.9
335.09930	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.64973	1.3
59.01241	4.7
59.75959	1.3
62.34833	1.4
66.26543	1.3
74.21265	1.2
83.04856	1.3
85.02834	4.2
85.26852	1.2
87.00745	2.2
93.03347	7.6
98.09247	1.3
111.04435	1.9
113.90874	1.2
119.04918	50.3
155.03368	2.9
155.49117	1.2
163.03931	100.0
164.04259	3.7
173.04495	4.1
191.05557	52.1
191.07332	2.3
192.05898	1.7
336.53802	1.3
337.09326	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08464	0.6
56.21626	0.5
57.03327	0.9
59.01242	2.3
60.99174	2.1
65.84634	0.4
67.01762	6.3
69.03322	1.7
70.38488	0.5
71.01269	2.4
71.30656	0.5
71.30981	0.7
73.02812	0.7
76.04662	0.5
78.96352	0.5
81.03336	1.7
83.04902	2.1
85.02832	14.0
87.00750	8.1
93.03339	33.2
94.03649	1.1
99.04377	1.4
109.02854	1.3
111.04409	4.7
117.03379	0.7
119.04922	14.0
120.05280	0.8
127.03899	3.0
129.01831	1.0
131.61075	0.6
143.99495	0.5
145.02855	1.5
155.03378	0.7
163.03944	8.0
171.02899	0.7
173.04474	7.0
174.04662	0.6
191.05547	100.0
192.05910	3.5
261.39282	0.5
272.26712	0.5
337.09286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01252	2.2
60.99160	0.5
66.26815	0.4
67.01749	1.3
70.60711	0.3
71.01232	1.4
71.30791	0.7
73.02816	0.7
77.12087	0.4
80.42689	0.3
81.03341	0.7
83.04906	0.8
85.02822	13.2
87.00746	3.7
93.03338	8.2
109.02810	1.0
111.04424	1.9
117.03362	0.5
119.04891	2.6
127.03880	2.8
145.02866	0.8
155.03386	0.4
163.03954	2.0
171.02936	0.9
173.04457	2.3
191.05536	100.0
192.05904	3.2
192.07629	0.4
278.44827	0.4
298.71744	0.4
310.88483	0.3
333.66992	0.4
337.09375	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	337.093
Annotation	1-Caffeoyl-4-deoxyquinic acid
Peak:m/z	Relative Intensity
59.01249	7.8
70.92497	1.6
71.01256	1.0
77.47386	0.6
84.82376	0.6
85.02805	3.3
86.02341	1.0
87.00734	1.8
87.04395	2.0
90.01246	0.6
93.03327	3.2
93.86249	0.6
96.95912	1.7
101.03424	1.6
104.04576	0.6
107.04929	1.7
109.02824	0.8
111.04366	0.7
115.03894	20.9
117.03358	1.1
119.04908	2.6
132.02034	1.0
133.02852	19.6
133.04965	21.8
134.03688	3.5
135.04419	31.9
136.04759	1.8
145.02892	0.9
147.04350	1.2
161.02356	100.0
162.02672	4.5
163.03902	2.8
164.07129	1.6
173.04517	2.3
174.03107	0.9
175.06049	9.0
176.07089	1.2
179.03433	17.8
180.03862	1.0
191.05544	25.7
192.06085	0.8
233.08086	4.0
236.05498	0.7
249.07486	0.7
275.06870	0.7
277.07227	2.4
295.08243	3.3
337.09155	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34155	0.6
52.43978	0.6
53.39220	0.5
57.03304	0.6
59.01261	5.4
60.99178	1.0
64.39971	0.5
67.01800	0.7
70.13589	2.1
70.13918	0.5
71.01252	1.4
71.04889	3.0
73.02811	0.9
78.65044	0.5
79.95657	0.6
81.03311	0.6
83.04889	1.1
85.02822	4.5
87.00752	1.7
91.08052	0.6
93.03344	5.8
94.08894	0.6
96.95899	2.1
99.04401	12.6
101.02331	0.7
101.05994	1.0
111.04402	8.4
113.02329	16.6
118.79464	0.5
119.04919	60.1
120.05260	2.3
125.02319	1.1
127.03904	1.3
129.05487	1.8
131.03407	2.8
135.04427	0.8
145.02829	1.0
148.80971	0.7
155.03421	2.5
163.03925	100.0
164.04272	4.3
173.04477	59.7
174.04829	1.0
191.05544	39.8
192.05882	1.3
197.72240	0.5
223.46359	0.6
257.11844	0.6
337.09503	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	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03331	0.3
59.01257	2.0
67.01765	0.5
70.01443	1.2
71.01260	0.9
73.02843	0.4
74.39739	0.2
76.83954	0.3
81.03314	0.4
82.44712	0.3
83.04899	1.1
83.92776	0.3
85.02822	3.5
87.00762	1.5
93.03334	6.1
96.95898	1.2
98.20557	0.3
106.04150	0.3
107.04902	0.5
109.02811	0.5
111.04411	2.6
113.02380	0.3
117.03401	0.3
119.04917	56.1
120.05264	2.3
125.52450	0.3
127.03902	1.3
135.04457	0.5
137.02365	0.7
143.03427	0.3
145.02931	0.4
155.03378	2.4
161.02338	0.4
163.03920	100.0
164.04256	4.8
173.04477	9.7
174.04895	0.4
191.05539	47.2
192.05905	1.4
213.09232	0.8
257.08218	3.1
322.76965	0.3
337.09280	4.5
337.13062	0.4
338.09491	0.5
346.37897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
51.39053	2.0
53.74137	1.8
54.74923	1.9
56.70918	1.7
59.01249	10.5
71.49831	1.7
71.53540	2.9
74.88430	1.7
77.79494	1.6
95.00166	1.7
96.95889	2.4
98.20066	2.5
126.19708	1.8
156.97662	2.6
174.05112	1.8
183.01062	1.8
187.04901	1.7
191.05550	7.8
198.15926	1.9
216.61365	2.3
305.21274	6.4
316.99911	1.9
335.41104	1.9
337.23853	100.0
338.24170	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	339.1084
Annotation	Macrosphelide B
Peak:m/z	Relative Intensity
57.03326	3.0
59.01258	11.9
60.99180	8.5
67.01760	10.4
69.03329	5.6
71.01247	7.3
71.53982	3.0
72.99166	1.8
73.02760	2.3
73.03940	2.5
73.25312	1.8
74.02321	1.9
75.44080	1.7
81.03345	2.5
83.04919	3.1
83.05556	1.8
83.25112	1.9
85.02828	6.3
87.00764	20.5
93.03339	100.0
94.03666	2.8
99.00761	2.3
99.04403	2.3
103.00249	5.0
111.04410	17.0
112.89523	1.6
113.02357	3.0
119.04938	8.7
121.02819	2.6
129.01822	2.1
131.04475	2.0
132.81032	1.8
134.03668	3.4
143.03404	3.3
155.03395	3.5
163.03893	7.7
165.05498	13.8
173.04471	56.3
174.04773	3.2
177.01871	3.5
181.02142	2.0
191.05540	41.9
192.05803	10.2
193.05989	8.0
235.06155	3.9
260.10397	5.7
339.10834	89.0
340.06210	4.2
340.11136	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	339.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68542	0.3
59.01254	0.5
60.02163	0.3
69.47881	2.3
75.46266	0.3
79.95161	0.5
79.95605	3.5
80.96375	0.5
95.95133	0.7
96.82858	0.4
96.95890	100.0
99.08022	0.4
102.88273	0.4
105.77715	0.3
158.76192	0.4
191.05638	0.4
203.10118	0.9
213.18599	0.4
218.10739	1.7
219.11363	1.5
235.63210	0.4
236.98181	0.4
241.18109	0.6
258.08545	4.2
258.58746	1.2
259.09354	3.4
259.19125	12.2
260.19333	0.7
285.48395	0.4
339.14801	48.9
340.11835	1.0
340.15414	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.35975	0.3
58.34955	0.3
58.39415	0.3
70.21645	0.3
71.10844	0.4
71.19905	0.4
77.75527	0.3
95.28774	0.3
95.99045	0.3
119.35723	0.3
123.78776	0.4
163.11197	100.0
164.11534	5.6
164.12898	0.5
183.01192	0.9
188.92848	0.3
194.89021	0.3
242.65649	0.4
274.49646	0.4
300.75421	0.3
321.02676	0.4
339.20068	1.3
339.23285	32.1
340.19727	0.6
340.23599	4.5
343.36679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.0
59.07575	2.1
63.02271	3.2
65.00189	6.6
65.45184	1.8
68.93813	1.7
69.54992	3.7
69.55392	9.7
71.01251	10.1
83.01269	5.6
87.27440	1.7
89.02322	13.2
98.19858	3.7
100.05241	1.9
101.02340	6.4
101.95715	1.9
107.01286	9.4
109.56163	1.8
113.02314	4.5
119.03442	3.4
124.01585	3.0
125.02344	2.8
126.45135	1.8
133.02878	3.7
144.00970	1.9
148.01584	2.7
151.00267	17.4
160.03973	3.2
161.02367	10.2
163.00256	3.4
164.01036	3.3
169.01392	2.9
177.01852	2.4
178.99788	8.0
179.05489	3.0
179.10722	4.9
186.01840	5.9
187.02477	2.3
191.05505	2.3
212.03458	8.3
214.01370	39.7
227.03438	4.5
236.03427	3.0
241.04927	4.1
243.03009	4.1
254.04532	6.5
255.02962	8.0
256.03693	3.2
269.04611	3.1
271.02451	18.4
285.04120	12.2
294.04120	3.4
296.05594	3.2
299.01886	2.9
300.02740	100.0
301.03128	7.6
313.03549	16.8
322.03485	25.2
340.04553	35.3
341.04773	5.7
341.10809	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	340.0461
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
55.18268	0.7
57.03275	1.2
59.01194	3.8
59.96443	0.6
62.95136	0.7
63.02214	3.5
65.00198	5.5
69.86415	2.6
69.86820	1.7
70.05965	0.8
70.63278	0.8
71.01203	2.6
83.01261	4.3
85.02783	1.5
89.02319	4.1
100.92256	0.7
101.02284	1.4
102.98481	1.5
107.01260	10.3
108.02010	1.5
109.02764	1.0
113.02289	1.4
119.03378	1.5
121.62764	0.7
123.00685	0.8
125.02332	4.8
131.98093	0.8
133.02887	3.7
135.00723	1.1
136.01561	1.0
148.01563	4.0
149.02243	0.7
150.99184	1.1
151.00279	19.2
152.00713	1.2
158.02278	1.1
159.04384	1.0
160.03967	3.6
161.02368	7.0
163.00243	2.6
164.01006	3.2
169.01245	2.2
171.04283	0.8
175.03877	1.5
175.59656	0.7
177.01781	1.7
178.99780	5.4
179.05457	1.4
185.05894	0.8
186.01855	6.5
187.00243	1.8
188.03383	1.1
199.03882	2.3
201.05367	0.9
203.03477	1.1
211.04036	1.0
212.03470	7.5
214.01392	41.6
215.01692	2.2
226.02699	0.9
226.05038	0.9
227.03448	3.8
231.01825	1.0
236.03461	3.1
239.03477	1.2
241.05074	1.6
242.02328	0.8
243.02971	4.5
243.05038	0.8
254.04564	3.2
255.02966	7.1
256.03726	1.5
257.04361	1.0
267.02914	2.5
269.04584	3.1
271.02490	16.7
272.03113	2.6
278.04449	1.6
283.02502	1.8
285.04025	12.4
294.04105	2.7
295.02496	3.9
296.05609	2.3
299.01935	1.6
300.02734	100.0
301.03119	8.7
313.03540	12.2
314.03967	0.9
322.03598	23.4
323.03821	2.1
340.04617	33.9
341.05060	2.8
341.10840	1.7
358.10977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0459
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
52.29869	0.7
52.46649	0.6
59.01248	5.1
60.68275	0.7
63.02268	4.4
65.00196	7.2
65.99751	0.9
66.51768	0.7
71.01314	2.6
78.47418	0.7
80.11578	0.8
83.01241	6.0
89.02314	3.5
93.03417	1.1
95.01296	1.5
101.02365	1.5
107.01277	12.3
107.01929	0.9
108.02078	1.4
109.02900	1.8
113.02372	0.9
119.03403	0.7
120.51591	0.7
120.56033	0.8
123.00797	1.1
125.02348	5.2
132.04420	1.0
133.02792	3.5
135.00822	1.5
148.01552	5.0
149.02277	0.7
151.00278	22.3
152.00653	0.7
157.14871	0.8
158.02399	0.9
159.04482	0.8
160.03929	5.6
161.02354	8.6
163.00327	2.4
164.01099	3.9
165.61510	0.7
169.01326	3.9
175.03976	1.3
177.01830	3.8
178.99782	7.9
179.05569	1.0
183.04485	1.8
186.01834	4.9
186.63680	0.7
187.00330	2.9
188.03413	1.1
189.01930	2.2
192.00531	1.5
193.01097	1.3
195.04449	0.9
199.04088	1.7
199.93419	0.8
201.05435	0.8
203.03517	1.4
211.04155	1.1
212.03416	7.2
213.05623	1.1
214.01399	31.8
215.01736	1.4
215.03561	1.1
216.00607	1.0
217.01434	1.1
217.04979	1.3
226.02899	1.0
226.05063	1.0
227.03572	3.8
231.01588	1.2
236.03548	2.3
238.01511	1.4
239.03555	2.1
241.04984	2.0
242.02287	0.9
243.02979	6.4
244.03430	0.8
251.03543	1.0
251.26343	0.8
254.02235	1.1
254.04538	3.9
255.02948	8.2
256.03476	1.0
257.04434	1.5
267.02911	4.5
269.04395	2.3
270.01471	0.8
271.02496	18.0
272.02963	3.0
272.05746	1.2
278.04355	1.0
283.02316	1.1
285.04071	11.0
286.04413	0.9
294.04126	2.7
295.02530	5.0
296.02753	1.2
296.05701	2.0
298.03552	1.0
299.02002	1.6
300.02747	100.0
301.03061	8.4
311.09232	1.8
313.03528	10.9
314.03531	1.0
322.03561	15.0
323.03882	2.7
326.11548	1.3
340.01459	1.3
340.04550	35.0
341.05319	2.6
341.10635	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	340.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02826	1.7
59.01241	4.6
63.96099	1.2
64.96895	7.9
67.34711	0.6
71.01254	5.3
72.00765	1.5
73.03943	28.6
74.02345	24.9
75.00729	3.0
79.95629	1.7
80.96394	1.3
85.03942	4.9
87.00749	1.7
87.05513	13.0
89.02318	4.5
91.97989	5.1
95.97458	1.0
96.95889	5.0
99.00739	1.2
101.02311	3.3
105.01810	1.4
107.97507	3.5
113.02282	1.3
113.03442	3.7
116.04945	10.4
117.03383	3.4
119.03373	1.9
129.01836	2.0
130.06537	1.2
131.04518	43.4
132.04886	1.1
134.03638	32.3
135.04465	0.9
135.96011	1.1
135.97009	17.1
137.02362	0.9
138.87428	0.8
142.06535	2.4
147.02896	2.0
149.05998	3.0
151.00279	3.1
153.46051	0.7
153.98727	0.7
159.09204	0.9
161.04503	1.2
163.03929	0.9
165.03967	10.3
169.01338	0.8
178.02586	1.4
179.05489	4.0
179.07076	2.5
187.21207	0.7
193.04991	34.4
203.08200	15.1
211.29079	0.7
216.11336	10.4
260.10388	100.0
261.10696	7.1
302.03958	0.7
317.46954	0.7
322.05020	1.2
335.56772	0.8
340.06076	77.2
341.06143	5.7
341.10785	2.0
343.92206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.02768	1.1
51.77437	1.0
59.01253	17.4
71.01263	13.9
71.53816	1.4
77.73432	1.0
85.02831	2.1
89.02322	13.4
93.03332	1.9
101.02339	5.8
113.02321	4.4
119.03414	5.3
132.02063	1.4
133.02850	22.4
135.04410	11.0
161.02356	100.0
162.02689	4.0
177.01949	1.2
177.05359	1.0
178.02284	1.4
179.03503	11.8
179.05519	3.8
189.21976	1.0
191.05602	3.3
203.03426	1.4
221.04588	1.3
341.08090	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40218	0.9
55.01752	3.8
58.00458	1.1
59.01252	19.6
69.18716	10.0
69.23217	0.8
71.01254	16.8
72.99167	2.8
73.02823	2.8
73.24782	0.9
74.23515	0.9
75.00746	52.9
76.01078	1.2
81.03333	1.4
83.01241	1.1
85.02818	3.6
87.00737	5.3
89.02324	15.6
89.03829	1.6
95.94810	0.9
98.04167	1.1
99.00764	1.4
101.02325	7.3
111.93250	1.0
113.02301	5.4
117.03358	4.2
119.03371	4.2
125.02321	1.4
129.01846	7.7
133.02823	1.0
134.03633	75.9
135.04359	6.9
141.09245	1.0
143.03398	3.2
147.02913	6.2
149.05980	3.6
161.02383	2.4
161.04456	7.5
161.09641	2.5
165.03963	100.0
166.04242	1.1
178.02562	1.9
179.03329	2.1
179.05539	64.1
179.10692	5.6
180.05899	1.7
184.53929	1.0
191.05595	1.2
193.04993	56.2
194.05385	2.4
214.49339	1.0
256.60727	1.0
341.10724	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96995	1.1
55.01768	3.0
59.01258	21.7
59.07596	1.0
62.49643	1.0
71.01261	22.7
71.54122	1.0
72.99203	1.6
75.00739	3.2
81.45757	1.1
83.33297	1.0
85.02853	3.5
87.00759	3.0
88.26117	1.2
89.02327	23.8
89.03847	2.5
96.95919	1.4
99.00734	2.4
101.02333	11.1
109.02851	1.2
113.02343	7.5
116.48572	1.0
117.03366	9.9
119.03391	6.6
119.04882	1.0
121.02865	1.8
129.01837	4.0
131.03413	1.7
134.03644	94.0
135.04016	2.4
137.02316	2.2
143.03401	2.2
147.02890	7.2
147.04018	1.2
149.02370	1.7
149.06001	8.6
152.83954	1.0
161.02321	1.4
161.04451	2.5
165.03961	3.3
178.02652	4.7
179.03299	1.3
179.05568	10.0
179.07014	2.2
193.05006	100.0
194.05357	4.3
195.05037	1.4
201.55005	1.0
291.90448	1.2
341.11420	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08020	0.5
55.01756	2.4
59.01255	2.6
69.85142	1.1
69.85552	1.6
71.01247	3.6
73.03985	0.7
75.00767	1.2
85.02845	0.6
87.00731	0.8
89.02325	3.0
89.03853	1.8
95.91562	0.5
98.19892	0.8
99.00788	2.9
101.02329	2.1
106.04119	0.8
113.02377	0.9
117.03360	10.2
118.03711	0.7
119.03444	1.3
119.04942	0.7
129.01840	2.8
134.03635	92.7
135.03964	3.4
137.02368	1.4
139.03822	0.6
145.53867	0.6
147.02899	7.7
149.05974	9.0
165.03929	2.6
178.02597	4.5
179.05499	1.2
179.07016	0.6
193.04993	100.0
194.05345	3.8
253.94344	0.6
261.10754	0.7
341.08563	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	341.139
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
56.84620	0.4
59.01251	6.7
68.99694	0.4
71.01259	5.3
74.33776	0.4
85.02820	0.9
89.02315	5.4
91.05376	1.2
95.01246	0.4
98.89504	0.4
101.02338	2.2
109.02808	1.5
113.02301	1.7
117.03288	0.4
119.03361	1.4
119.04877	0.7
123.04404	1.2
123.54562	0.4
130.04063	0.4
131.26056	0.4
133.02837	0.4
134.03589	0.7
135.04390	0.5
143.03378	0.6
145.02879	3.3
147.04390	0.6
151.03897	0.6
161.02322	0.5
161.04459	0.8
169.10292	0.4
171.08044	0.4
171.68100	0.4
174.32384	0.4
177.01830	2.0
179.05487	2.0
180.05736	0.8
189.01883	3.4
190.02551	0.9
191.03314	0.6
193.06503	0.4
194.07243	1.0
196.05168	1.3
207.08089	0.6
209.06017	0.8
209.09671	0.7
210.06783	1.2
211.07581	0.7
216.00589	0.8
217.01350	0.9
219.02881	0.7
221.06010	0.5
222.06796	2.1
223.07587	1.3
224.04738	8.4
224.08333	1.1
225.05258	0.8
225.09105	1.8
227.10684	2.5
235.07562	1.1
236.08488	0.9
237.05499	1.6
237.09119	0.7
238.06325	10.3
239.06871	1.5
239.10693	3.3
241.08687	5.3
242.09111	0.5
249.05595	0.5
250.06322	1.1
251.07120	2.3
252.04221	1.4
252.07796	1.1
253.04916	0.5
253.08646	1.7
254.09465	3.7
255.10231	11.0
256.10709	0.8
263.07083	0.5
264.07947	0.5
265.05045	1.1
265.08698	1.2
266.05820	8.3
266.08905	0.7
267.06528	1.1
267.10175	2.3
269.11807	5.1
270.05304	2.4
270.12564	3.5
280.07333	0.9
281.04797	0.8
281.08142	1.2
282.08926	3.0
283.09750	60.6
284.10068	4.7
293.08130	0.7
294.08810	2.2
295.09714	6.4
296.10361	3.2
297.11249	2.2
298.04926	1.0
298.12042	4.6
309.07895	0.6
309.11307	2.0
310.08414	1.8
310.12097	2.7
311.09247	100.0
312.09607	10.6
325.10822	15.3
326.11566	63.5
327.11926	5.6
341.06732	6.0
341.13950	77.5
342.07343	0.4
342.10883	0.7
342.14291	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	341.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00341	0.7
59.01103	11.1
59.01442	7.1
62.21495	0.6
65.70583	0.5
66.91306	0.6
68.46022	0.5
69.80954	0.6
70.11132	0.6
70.56379	0.6
70.94022	1.4
71.01093	11.7
71.01535	4.2
79.14832	0.5
85.02659	2.3
87.00627	1.2
89.02142	13.1
89.02747	2.5
91.05272	1.4
94.93874	0.6
96.95704	5.0
98.95321	0.7
101.02133	6.3
113.02135	5.2
119.03192	5.1
131.03262	1.2
133.02730	0.8
135.04260	1.4
137.09865	0.7
143.03244	0.9
145.02652	3.0
146.03540	0.6
161.02153	2.5
161.04274	2.1
179.03282	1.5
179.05348	6.7
179.06966	1.1
180.05670	0.7
196.04964	0.9
203.11639	0.7
210.06654	1.0
219.61531	0.7
222.06712	1.7
223.07442	1.4
224.04782	7.3
224.08134	1.0
225.05264	0.8
225.09052	1.7
227.10623	2.6
236.08319	1.0
238.06329	10.4
239.06622	0.9
239.10571	2.1
241.08647	3.5
251.07082	1.4
252.04105	0.9
252.07779	0.8
253.08556	1.4
254.09438	2.7
255.10236	10.3
256.10623	1.0
259.59381	1.0
260.09070	0.6
265.04901	0.9
265.08740	1.3
266.05841	6.8
267.06540	0.7
267.10193	2.6
269.11774	4.9
270.05295	2.4
270.12494	2.6
281.08157	1.3
282.08972	2.1
283.09763	55.1
284.10141	5.4
294.08969	2.3
295.09641	6.7
296.10562	4.3
297.11279	2.6
298.12045	4.0
309.11334	2.5
310.08417	1.6
310.12119	3.4
311.09253	100.0
312.06390	1.0
312.09628	9.8
325.10800	16.1
326.11584	69.4
327.11978	7.6
334.83960	0.6
340.62149	0.9
341.11118	4.5
341.14008	74.2
342.14322	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14783	0.7
57.03327	0.9
58.00471	1.0
59.01252	34.9
71.01255	27.0
72.99182	2.2
73.02837	1.2
83.01256	1.2
85.02819	4.8
87.00755	2.1
89.02320	32.9
93.03381	1.0
95.01281	1.7
96.95900	2.5
101.02327	14.7
102.02647	0.8
103.23049	0.7
113.02332	10.7
117.03377	0.7
119.03397	12.4
125.02380	1.0
129.54909	0.8
131.03418	2.1
135.04471	1.0
137.55049	0.7
143.03427	3.3
143.04924	0.7
145.02847	3.2
146.03716	1.1
149.04469	1.1
161.04453	5.9
164.81029	0.8
171.10161	0.9
179.05548	16.7
179.07022	0.7
180.05881	1.7
188.87157	0.8
194.07266	0.8
196.05162	0.9
196.08835	1.0
210.06737	1.1
211.07495	0.9
222.06876	1.2
223.07697	0.9
224.04779	8.1
224.08521	0.9
225.05318	0.8
225.09135	1.3
227.10751	2.9
237.05579	1.4
237.09122	1.1
238.06322	10.4
239.06940	1.1
239.10794	3.0
241.08727	3.9
251.07036	1.8
252.04219	1.2
252.07962	1.3
253.08656	1.0
254.09380	2.5
255.10294	11.2
265.05112	0.9
265.08783	2.0
266.05807	6.7
267.10226	2.1
269.11880	4.2
270.05347	2.8
270.12671	2.7
280.07367	1.0
281.08386	1.4
282.08936	2.3
283.09769	58.5
284.10049	5.6
294.08923	2.3
295.09708	6.1
296.10446	3.9
297.11316	2.1
298.12048	3.5
309.11395	2.3
310.08618	1.5
310.12082	3.5
311.09256	100.0
312.09579	9.8
325.10745	17.3
326.07623	2.1
326.11575	73.1
327.11945	7.6
341.10715	11.1
341.14078	76.6
341.22998	2.0
342.10938	1.4
342.14334	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
58.00473	1.4
59.01254	42.6
59.14798	0.6
60.01576	0.8
61.57202	0.6
64.05520	0.7
69.03327	2.8
71.01255	33.3
72.99171	1.5
83.01273	1.2
83.04893	1.5
83.17178	0.7
84.02025	0.9
85.02820	4.5
87.00743	2.4
87.48130	0.7
89.02324	41.3
95.01263	1.7
97.06474	14.2
98.90640	0.7
99.04408	1.0
101.02329	16.8
113.02324	12.9
119.03397	12.8
125.02336	0.7
125.09616	1.9
131.03383	2.4
137.09569	1.0
143.03409	3.8
149.04416	1.4
151.11143	0.9
161.04491	5.0
165.12778	1.0
171.10188	5.7
175.11232	0.7
179.05554	16.5
179.07114	0.7
193.12280	19.0
194.12679	1.2
207.71526	0.7
211.13307	3.0
221.11591	0.7
225.14920	23.8
226.15271	1.2
243.15959	10.0
253.14404	0.7
253.16391	6.3
291.19754	1.5
305.21072	0.8
305.78250	0.7
311.09222	0.7
320.67639	0.9
323.22089	1.0
341.10861	17.9
341.23318	100.0
342.04315	0.8
342.11310	2.0
342.23636	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20548	1.2
59.01258	97.3
69.78659	4.2
70.31084	1.2
72.94238	1.5
126.96271	1.4
157.03476	5.8
159.01379	4.6
201.02510	100.0
202.02687	8.9
262.90787	1.3
313.03543	6.0
328.06009	2.4
328.12802	1.8
343.08218	11.3
343.15259	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	343.1398
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01753	6.4
57.03314	6.0
59.01248	37.7
71.01251	36.8
71.01663	4.5
72.99165	3.1
73.02818	14.2
75.00769	2.3
83.01253	13.1
85.02817	25.2
85.99956	2.8
87.00760	4.9
89.02316	9.6
93.03363	4.8
95.01266	2.6
99.00774	8.8
101.02321	44.8
109.02849	5.0
113.02338	15.0
121.02844	10.3
122.03622	5.3
123.04388	2.9
128.00549	2.1
129.01810	2.9
133.02835	4.6
134.03610	6.6
135.04503	11.6
136.04233	4.3
136.05202	9.5
141.70070	2.0
161.02345	6.4
161.04463	6.0
163.03848	2.1
165.03922	2.8
166.06256	47.2
167.06909	4.9
179.03413	5.8
180.04211	7.1
181.08621	100.0
182.08934	5.5
191.05539	3.9
193.05013	4.7
194.05206	4.8
195.05492	6.5
218.18985	2.4
239.06927	2.2
255.10255	11.8
270.01752	4.9
285.04056	7.1
313.03543	21.0
316.06931	2.1
328.05881	6.9
339.75653	2.0
343.08200	23.5
343.13947	90.2
344.14072	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	343.155
Annotation	Malabaricanol
Peak:m/z	Relative Intensity
59.01256	0.7
71.01265	0.2
89.02402	0.2
93.03333	2.6
95.17683	0.2
96.95910	0.5
101.75349	0.2
103.79475	0.2
108.02097	0.8
109.02845	6.2
110.03155	0.2
119.04987	0.2
121.02854	22.5
122.03651	11.7
123.04436	7.5
123.96684	0.2
124.01564	1.3
134.03683	0.4
135.04425	3.8
136.01607	0.5
136.05151	1.2
137.02345	2.7
143.04883	0.3
145.06538	0.2
146.03638	0.3
147.04419	1.3
148.05228	0.5
149.06006	2.0
153.01907	0.2
154.02605	2.1
159.04326	0.3
160.05455	0.2
161.05998	6.8
162.03185	0.2
162.06573	0.3
163.03935	4.6
163.07613	0.8
165.05481	0.3
168.04233	0.6
171.10240	0.3
173.06003	1.3
175.03961	0.2
175.07628	0.4
176.04611	0.3
177.05484	0.6
182.04567	0.8
189.05547	1.6
190.06293	3.5
191.07085	7.6
192.07465	0.4
203.07056	1.6
205.08673	0.5
225.05576	0.3
239.07120	0.6
240.07843	0.6
243.35608	0.2
255.39651	0.2
269.08246	0.4
270.01700	0.3
280.24576	0.2
283.09891	0.6
285.03937	0.3
297.11346	0.4
299.12927	3.3
300.13309	0.5
310.12146	0.3
311.09509	0.4
311.12955	0.3
313.03546	2.0
313.07391	0.4
313.10855	4.8
314.11176	0.5
327.12314	1.8
328.13174	38.1
329.13474	4.0
329.17142	0.4
343.15515	100.0
344.15854	11.2
354.46292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1551
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
53.18630	0.5
58.13887	0.6
59.01239	2.1
63.59477	0.5
65.58219	0.5
71.01242	0.6
71.34072	1.2
71.51585	0.5
93.03326	2.9
100.71622	0.5
108.02040	0.8
109.02836	5.3
118.58113	0.6
120.51052	0.5
121.02844	23.8
122.03645	11.5
123.04422	8.1
124.01558	0.9
130.12164	0.5
135.04414	3.9
136.01570	0.6
136.05217	1.7
137.02304	2.3
147.04430	1.3
149.05940	2.0
154.02623	1.6
161.06001	7.4
163.03934	3.6
173.06032	1.2
177.05493	0.7
189.05473	1.9
190.06261	3.2
191.07060	9.6
198.03215	0.8
203.07071	1.0
205.08650	0.7
210.03122	0.7
225.05618	0.6
226.02563	1.0
239.07130	1.4
240.07762	0.8
242.02107	1.8
254.02130	1.1
270.01736	3.7
283.09796	0.7
285.03915	2.8
297.03845	1.0
298.01343	0.6
299.05383	0.7
299.12811	3.8
313.03506	16.3
313.10831	4.8
314.03891	1.5
327.05035	1.0
327.12457	1.7
328.05899	3.5
328.13144	41.3
329.13510	4.6
343.08704	17.7
343.15472	100.0
344.08548	2.1
344.15848	11.4
345.10522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
68.95043	0.2
71.01260	1.0
75.01642	0.1
79.95624	1.4
83.01258	0.3
85.02824	0.6
87.00751	0.2
87.06891	0.2
89.02338	0.5
91.78674	0.2
93.03359	0.5
96.95896	100.0
97.95802	0.3
101.02341	0.7
106.17317	0.2
113.02344	0.4
119.03390	0.3
183.10280	0.2
191.05537	1.1
240.04398	0.3
255.06628	0.6
257.62106	0.2
267.06656	0.2
270.09018	0.3
297.11349	0.3
301.11014	0.2
329.56940	0.2
345.10071	2.5
345.15530	2.2
345.22620	0.3
346.10251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
57.03329	3.0
58.00463	8.4
59.01253	100.0
71.01253	83.8
71.54354	2.7
72.63229	2.3
72.99168	8.1
73.02808	4.9
73.16142	2.5
79.95609	5.0
83.01269	4.9
85.02813	19.4
87.00765	4.9
89.02321	72.6
93.03344	7.9
95.01247	3.6
96.95275	5.1
96.95891	84.1
101.02328	45.5
113.02342	25.2
119.03405	30.4
121.10114	24.1
122.10483	2.6
123.24529	2.2
135.04407	2.5
137.02322	2.7
143.03439	4.3
143.47025	2.3
148.83569	2.2
159.15712	2.2
161.04449	5.8
165.09117	3.4
173.04390	3.9
179.05539	4.2
183.10167	6.9
189.97215	2.2
191.05537	44.0
191.07115	4.4
345.10056	39.8
345.15469	37.5
346.15884	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88181	1.3
55.01754	4.1
57.03324	6.1
58.00463	4.7
59.01252	91.5
61.01998	1.0
69.03333	1.5
70.67878	1.2
71.01254	100.0
71.53654	1.4
72.01582	1.6
72.99171	6.6
73.02823	19.5
75.00767	1.3
83.01260	8.7
85.02823	31.3
87.00756	5.6
89.02316	51.8
93.03343	1.3
95.01257	6.8
96.95916	6.7
97.02803	1.5
99.00762	8.7
101.02319	62.6
109.02850	1.9
113.02332	38.7
119.03389	23.6
119.04907	1.9
120.99554	2.8
121.10121	23.5
123.04439	1.5
131.03406	2.9
136.01649	1.9
143.03387	4.5
145.34273	1.3
149.04486	1.8
151.00281	1.9
159.02902	4.9
161.04472	21.2
163.95825	1.1
165.09088	8.4
167.10712	1.9
178.99820	1.7
179.05620	2.5
183.10191	23.1
189.90558	1.3
191.05612	4.8
205.03554	1.4
267.06662	3.8
282.09015	3.0
297.11456	3.1
301.16882	1.4
317.02802	1.6
345.10049	4.8
345.15579	64.2
346.15826	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	345.1707
Annotation	CHEBI:68160
Peak:m/z	Relative Intensity
59.01254	1.8
59.18791	0.2
70.45811	0.6
76.43813	0.2
81.03326	0.4
83.04911	0.4
90.53491	0.2
107.03223	0.2
108.02062	0.6
109.02839	17.6
110.03167	0.7
111.04400	0.2
121.02845	1.5
122.03650	4.6
123.04427	3.5
124.01561	0.8
124.04745	0.3
125.02345	13.3
126.02674	0.3
135.04402	1.0
136.01553	0.3
136.05217	0.5
137.02350	84.8
138.03156	24.0
139.00371	0.3
139.03983	2.7
140.01047	0.5
147.08040	0.3
148.05240	0.3
149.05998	8.9
150.03174	0.2
150.06329	0.4
151.03934	1.7
152.04707	4.1
154.02612	1.1
163.07576	0.4
164.04730	1.8
165.05498	3.7
166.06216	0.9
168.04193	0.3
170.02138	3.9
175.07523	0.3
177.09178	1.4
179.07071	4.7
184.03645	1.6
189.09166	0.3
190.06323	0.2
191.07094	0.4
192.07904	0.5
193.08702	1.2
199.67168	0.2
205.08684	2.5
215.10648	0.6
259.13351	0.4
269.11884	0.4
287.12949	0.6
297.11188	0.3
300.13718	0.2
301.14331	0.5
313.14734	0.5
315.12421	5.8
315.15784	0.4
316.12527	0.5
316.82642	0.2
329.13889	0.8
330.14722	56.6
331.11221	0.4
331.15039	5.2
342.05353	0.2
345.17062	100.0
346.17392	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13991	1.7
59.01257	11.3
61.98709	100.0
77.76308	2.3
86.50052	1.9
98.20512	2.0
114.73195	2.0
137.72885	2.4
176.24785	2.6
203.02167	2.9
203.99965	24.6
258.50830	2.0
367.82431	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	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03329	0.7
58.00472	0.3
59.01247	0.6
65.03828	0.7
67.01796	0.3
69.03329	0.7
69.70860	1.4
71.01260	2.9
72.99189	0.4
73.02826	17.0
74.03158	0.3
75.10186	0.2
81.03340	1.8
83.04904	5.7
83.56496	0.2
85.02846	3.3
87.00765	0.7
93.03347	40.7
94.03696	1.2
99.00770	6.1
99.01421	0.3
99.04413	5.7
101.02361	0.6
109.02853	1.4
111.00787	0.3
111.04417	18.0
112.04774	0.6
112.98707	2.6
113.02367	0.4
127.03920	0.5
129.01852	2.4
129.05528	0.4
137.02357	13.5
138.02643	0.5
138.95183	0.3
142.99792	3.7
143.03412	3.6
144.30046	0.3
155.03419	9.1
156.03763	0.6
171.02867	0.5
173.00888	2.2
173.04489	100.0
174.04822	3.6
269.58841	0.3
292.11237	0.3
333.40775	0.3
347.09821	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	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70855	23.5
73.02820	8.0
75.58081	4.2
76.52617	4.1
90.74511	4.3
93.03329	24.3
98.20522	10.5
111.04424	12.2
127.14187	4.3
137.02368	10.6
137.03517	4.6
149.22780	4.4
173.04471	100.0
174.04877	5.5
319.46976	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	347.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46880	14.4
59.01250	18.1
70.43629	14.3
70.71347	27.4
71.01254	16.8
73.02803	34.2
93.03360	69.8
99.00777	18.5
111.04387	24.4
137.02324	37.6
142.99744	42.3
168.97359	14.9
173.04471	100.0
178.42407	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	347.1169
Annotation	Compound VII
Peak:m/z	Relative Intensity
57.03318	0.8
69.03333	0.5
69.59480	0.8
69.59900	0.8
79.95600	1.9
80.02505	0.3
83.04887	1.2
85.06491	0.3
89.16788	0.3
95.04906	3.3
96.95889	53.0
97.06479	0.5
98.03613	1.6
109.06479	1.9
111.04415	0.7
113.05981	1.9
122.03699	0.3
122.97489	0.5
123.08070	0.4
124.05197	0.6
135.08069	0.4
137.09610	1.9
138.06770	0.4
139.07544	3.3
139.11180	0.3
153.09079	2.2
155.10683	17.0
156.11008	1.0
187.14951	0.4
203.14307	0.6
205.13956	0.4
205.15916	7.9
223.16888	1.7
267.15997	11.2
268.16446	0.8
303.12631	0.4
329.10550	0.9
332.98862	0.3
347.11673	100.0
348.12003	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	347.1172
Annotation	Compound VII
Peak:m/z	Relative Intensity
59.01262	0.7
61.84740	0.3
63.80329	0.3
71.01276	0.8
71.54155	0.4
72.01649	0.4
73.13161	0.3
79.95601	2.2
89.02332	0.4
93.03370	0.5
96.95900	100.0
101.02363	0.7
101.46333	0.3
109.02810	0.4
111.04354	0.5
122.97481	0.9
135.68088	0.3
137.09544	0.4
154.00688	0.3
155.10658	0.4
173.04501	0.6
191.05600	0.5
212.89680	0.3
235.14824	0.3
260.78665	0.3
347.11710	60.1
348.12012	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	348.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73986	2.2
58.86702	2.1
59.00949	4.8
59.01252	100.0
68.83500	2.6
69.44783	16.7
82.63801	2.7
96.95930	2.7
151.76498	2.7
184.59579	2.5
224.26506	2.3
256.15939	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	349.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92456	1.1
57.37558	1.3
58.84695	1.1
59.01240	2.9
59.98865	1.0
69.03339	2.4
71.01266	2.2
77.03833	2.0
79.01785	1.8
83.01253	2.4
85.02799	1.6
87.00742	1.9
93.03363	3.9
95.01273	3.8
96.95881	11.2
97.02826	11.2
101.02332	1.8
101.09958	1.1
109.02859	3.3
111.00752	2.0
113.02302	1.6
119.03360	1.2
120.99548	9.6
121.02837	11.8
123.00783	12.9
125.02341	2.9
135.04381	1.2
137.02341	40.6
139.00281	5.9
141.01842	3.7
146.04373	1.1
151.00291	13.7
163.00294	1.1
164.01048	1.4
165.01846	100.0
166.02187	3.8
166.99854	1.7
178.99751	2.1
179.03400	1.3
183.02840	1.5
194.99319	1.2
197.04489	53.3
198.04822	1.9
209.00897	1.4
213.61397	1.2
222.98839	1.3
269.04813	2.1
317.02991	5.5
331.00970	1.7
349.01471	1.4
349.05585	14.8
349.09445	2.1
349.13342	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	351.0181
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
59.01264	1.6
63.02269	3.4
65.00200	5.8
71.01270	0.5
71.54871	0.4
81.03371	0.4
83.01263	4.6
86.09798	0.4
87.00777	0.6
93.03336	8.8
96.95927	1.2
97.69016	0.3
105.03340	0.5
107.01273	13.2
108.01604	0.4
108.84000	0.3
109.02832	0.7
119.04921	33.3
120.05237	1.1
121.02839	0.8
121.96942	0.3
125.02330	0.9
128.84296	0.3
133.02864	2.5
135.04321	0.7
145.02881	0.8
147.04388	0.8
151.00279	41.4
152.00638	1.3
157.00995	0.3
161.05974	0.5
165.01846	1.9
169.01331	3.0
173.04515	0.7
177.01857	7.4
178.02187	0.5
185.05937	0.6
187.03929	0.8
191.03430	0.3
191.05576	1.6
204.23390	0.3
215.05554	0.9
241.05058	1.6
256.07339	1.0
265.28397	0.3
271.06122	100.0
272.06482	8.3
273.93182	0.3
312.75519	0.3
351.01767	12.5
351.05624	0.8
351.10803	0.9
351.21695	1.1
352.02029	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	352.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.4
59.09463	0.4
61.98698	0.8
69.37502	3.3
71.01257	1.2
73.02823	0.8
73.96444	0.5
79.95608	9.7
80.96378	1.0
83.04918	0.6
85.02827	3.1
87.00764	1.0
89.02316	0.8
89.91036	0.4
93.03333	3.9
93.43206	0.4
95.23932	0.4
95.95111	7.0
96.95895	95.0
98.19800	0.6
101.02375	0.7
111.04401	1.8
113.02349	0.6
115.21255	0.5
127.03925	1.3
133.02887	0.6
135.04410	1.6
137.02386	1.0
138.96996	0.8
152.00150	3.7
154.01772	0.5
155.03358	0.5
161.02354	0.6
173.04456	4.6
179.03413	1.4
191.05548	51.5
230.92288	0.5
265.84259	0.4
308.19073	3.5
324.75165	0.5
352.21637	100.0
353.08704	0.8
353.17917	0.8
353.21881	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	353.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34519	0.5
56.52598	0.5
59.01245	4.0
65.63204	0.5
67.01760	0.5
71.01250	2.1
71.54292	0.5
72.69524	0.4
73.02839	1.2
73.44795	0.5
79.95616	3.6
81.03330	0.6
83.04855	0.6
85.02817	7.4
87.00755	1.0
87.04395	0.9
89.02303	0.7
91.08838	0.5
91.78947	0.6
93.03339	5.6
96.95900	2.5
99.04356	0.5
106.16727	0.6
107.04911	14.2
108.05211	0.9
109.02838	5.5
111.04416	1.3
121.02855	5.8
122.03630	9.9
124.01569	1.1
127.03902	2.0
128.54939	0.6
133.02864	11.4
134.03247	0.7
135.04416	4.1
137.02347	2.2
151.03864	0.9
151.11057	0.7
154.02644	1.7
161.02357	2.0
171.02988	0.6
173.04463	4.4
179.03386	2.8
191.05542	100.0
192.05855	3.6
192.65358	0.6
196.04187	0.6
197.11700	0.6
209.05978	1.2
225.05522	1.1
227.07076	5.1
229.08652	12.2
230.09071	0.7
237.05528	1.8
255.06595	40.4
256.06879	3.1
273.07678	43.9
274.07889	3.7
276.64212	0.5
309.04416	2.0
323.22064	0.6
335.02286	28.1
336.02563	2.8
353.03366	24.8
353.08170	1.3
353.16074	1.0
353.23343	7.0
354.03629	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30397	0.1
53.76373	0.1
57.37451	0.1
59.01245	0.3
67.16169	0.2
69.58265	0.9
73.42472	0.1
85.02827	1.1
90.12157	0.2
92.03952	0.1
93.03327	0.3
109.02899	0.1
110.76173	0.2
111.04400	0.2
127.03884	0.3
135.04407	0.4
161.02293	1.0
173.04509	0.3
179.03369	1.4
191.05531	100.0
192.05875	4.7
353.08838	1.6
354.08966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.73066	0.4
67.77801	0.4
69.66119	2.2
71.01247	0.6
79.37806	0.4
81.50134	0.4
85.02831	6.6
87.00755	1.5
93.03326	2.4
94.30933	0.4
97.87180	0.4
98.19882	0.6
99.04372	0.5
99.40147	0.4
111.04375	0.7
127.03915	1.9
132.07152	0.4
133.02850	0.6
135.04468	0.5
135.70027	0.4
160.45573	0.4
161.02365	2.3
173.04491	0.9
179.03416	1.0
191.05544	100.0
192.05920	3.2
211.21515	0.4
235.56425	0.4
245.84090	0.5
353.08780	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	353.088
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.01773	0.3
57.03311	0.4
59.01249	4.0
59.17018	0.3
67.01804	0.2
70.66785	0.4
70.67091	0.3
71.01254	3.1
73.02815	3.6
73.92054	0.3
76.63238	0.2
81.03352	0.6
83.04901	1.3
85.02822	7.3
87.00745	1.7
89.02316	3.1
93.03336	10.6
94.03675	0.6
99.00764	1.1
99.04417	1.5
101.02338	0.8
107.04899	0.8
109.02835	0.9
111.04408	5.1
113.02338	0.8
117.03416	0.3
119.03402	0.2
127.03896	2.1
129.01833	0.6
132.93794	0.3
133.02846	0.6
134.03641	2.6
135.04416	36.9
136.04749	1.5
137.02324	2.8
138.02621	0.3
140.28729	0.3
143.03386	1.1
155.03429	2.9
161.02339	3.3
162.02670	0.4
171.02878	0.4
173.04472	14.7
174.04816	0.6
179.03426	31.3
180.03781	1.5
191.05542	100.0
192.05875	4.3
216.04222	0.2
233.20212	0.3
265.47607	0.3
336.27802	0.3
353.08765	5.1
354.08810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.45959	0.3
59.01241	1.7
67.01762	0.4
69.03320	0.3
71.01262	0.7
71.31804	0.4
73.02837	0.7
81.03336	0.4
83.04884	1.0
83.99570	0.3
85.02823	7.9
87.00735	1.6
89.03888	0.4
93.03333	3.8
99.04390	0.4
100.81555	0.3
107.04929	1.6
109.02836	0.7
111.04372	1.9
117.03311	0.7
127.03895	2.3
133.02809	0.8
134.03625	5.7
135.04414	52.9
136.04758	2.0
137.02444	0.4
143.09964	0.3
144.10352	0.3
155.03444	1.4
161.02354	4.0
171.02899	0.5
173.04480	3.6
179.03418	49.7
180.03732	2.6
191.05539	100.0
192.05869	4.1
232.37006	0.3
326.39691	0.3
353.08762	15.1
354.09146	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
67.01748	0.4
69.03327	0.3
71.01257	1.4
71.01700	0.3
71.46687	0.1
73.02823	0.6
80.75062	0.1
81.03323	0.4
82.46274	0.2
83.04896	0.5
85.02829	10.4
86.03148	0.2
87.00753	2.2
88.84074	0.2
89.02335	0.2
93.03336	4.7
99.04401	0.5
107.04893	0.3
109.02863	1.0
111.04418	1.5
113.02325	0.2
114.73031	0.2
127.03902	2.5
133.02872	1.0
134.03662	1.1
135.04424	10.1
136.04742	0.4
137.02341	0.3
155.03409	0.4
161.02345	2.5
171.02937	0.7
173.04482	2.3
179.03421	6.2
180.03787	0.2
191.05548	100.0
192.05888	4.0
208.97734	0.2
237.82515	0.2
243.06529	0.3
301.92957	0.1
302.14835	0.1
353.08743	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	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.53445	1.3
59.01248	1.6
69.72448	7.1
85.02831	9.3
87.00739	2.3
88.66381	1.2
93.03348	4.5
111.04375	1.9
127.03895	3.7
133.02773	1.8
134.03632	4.6
134.08620	1.4
135.04430	30.9
161.02332	2.8
179.03412	22.4
180.03737	1.5
191.05548	100.0
192.05887	5.0
197.67114	1.7
218.36713	1.3
353.08792	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40207	1.0
70.40576	1.1
71.01228	0.7
78.71175	0.6
79.63335	0.6
80.13021	0.5
85.02820	4.1
87.00745	1.1
93.03321	3.0
98.19852	0.6
111.04394	0.6
127.03889	0.8
135.04362	1.2
161.02336	2.1
169.13095	0.6
171.02972	0.6
173.04469	1.6
175.28723	0.6
179.03439	1.0
191.05539	100.0
192.05885	4.2
255.30202	0.5
271.80768	0.6
294.99133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
58.66193	0.9
59.01251	11.8
69.30328	6.6
69.30726	1.9
71.01261	10.6
73.02827	12.8
73.92364	0.9
81.03331	1.3
83.04893	4.5
85.02829	12.5
87.00763	3.0
89.02321	9.8
90.52412	0.9
93.03347	34.1
98.65551	1.0
99.00767	3.7
99.04403	4.1
99.82024	0.9
101.02315	2.7
109.02807	1.6
111.04421	13.0
113.02345	2.4
119.03356	1.4
127.03926	1.5
127.99280	1.1
131.78023	1.0
133.02786	1.0
134.03633	2.8
135.04424	28.7
136.04668	1.1
137.02354	9.6
138.01500	1.1
143.03377	2.2
155.03413	4.3
161.02370	3.4
161.04503	1.5
173.04488	48.4
174.04813	1.7
177.05505	1.3
179.03435	18.4
179.05589	2.3
191.05562	100.0
192.05887	4.6
353.08612	8.8
353.58603	1.1
354.09250	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	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.28029	0.3
57.99902	0.3
58.80272	0.3
70.40102	0.4
70.40435	0.7
79.95644	0.3
85.02825	0.5
93.03299	0.4
96.95895	2.3
98.20480	0.3
121.57686	0.3
137.50322	0.3
139.63902	0.3
161.28778	0.3
162.69518	0.3
163.11197	86.2
164.11531	5.4
171.49728	0.3
173.04482	0.8
177.09128	70.0
178.09464	5.1
179.03482	0.6
191.05542	3.9
222.08986	0.7
331.84387	0.3
353.21194	100.0
354.21521	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01264	2.0
63.96807	1.1
66.41341	1.1
71.53421	1.2
85.02842	1.8
99.02690	1.3
109.02840	2.6
122.03613	10.1
127.07573	2.5
135.04431	25.9
136.01552	2.0
136.04808	1.5
147.06941	1.2
147.08017	2.8
149.09662	6.8
151.07603	3.5
154.02620	3.4
161.09653	9.7
163.07597	2.4
163.11201	49.9
164.08342	18.3
164.11502	2.8
165.09135	10.0
166.61780	1.2
170.55081	1.3
177.09128	61.2
178.09900	21.7
179.10707	75.1
180.11095	3.4
183.10129	1.8
187.11261	2.3
191.10703	15.4
192.11189	1.4
193.08659	10.7
279.13943	1.7
280.14676	2.7
298.15753	50.6
299.16129	5.6
337.21765	51.3
338.22052	5.9
340.20447	77.1
341.20789	10.4
355.22806	100.0
356.23218	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	355.2491
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
51.19349	0.3
57.03330	1.4
59.01245	0.9
71.04892	1.0
71.54387	0.3
72.34797	0.3
73.02831	0.3
85.02792	0.4
87.04394	0.5
95.04897	0.4
96.95902	0.4
97.06473	0.7
101.02391	0.4
113.05951	0.4
123.08016	0.6
125.09648	1.7
139.11174	2.6
141.12720	0.5
153.12675	0.3
155.14275	0.7
191.05582	0.8
193.06033	0.6
199.13312	0.4
211.16847	0.4
225.14848	0.6
265.18112	0.8
295.22803	2.3
307.22672	1.4
309.24466	0.4
319.22684	0.8
325.23849	22.5
326.24277	2.2
337.23886	2.7
338.24295	0.4
355.24887	100.0
356.25217	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	356.0412
Annotation	7-Hydroxyaristolochic acid
Peak:m/z	Relative Intensity
56.17467	2.4
59.01252	3.8
63.02284	4.9
65.00196	12.7
68.31745	2.7
74.27217	2.7
79.63890	2.8
83.01271	9.0
89.65936	2.9
95.01241	9.2
96.95910	3.1
99.00758	4.3
107.01292	16.5
109.02842	9.7
109.63796	2.9
109.99984	14.6
111.00758	13.5
116.68649	3.0
121.02818	7.3
123.00790	10.5
125.02328	8.5
132.04405	3.5
133.02846	7.2
134.16647	3.0
135.04440	5.8
136.98746	5.4
137.02307	4.6
139.00288	31.4
146.03716	3.2
147.00771	3.5
148.01567	6.6
149.02318	13.1
151.00279	49.1
152.01025	6.2
153.01639	3.2
158.02440	4.4
159.04411	3.4
160.03964	6.2
161.02345	14.6
162.01901	9.7
163.00264	11.8
163.03893	2.9
164.01051	13.3
165.98999	15.8
166.99791	17.4
175.00282	5.0
176.01048	6.1
176.03439	12.1
177.01881	16.1
178.99771	48.8
179.03433	3.9
183.04396	3.2
186.01912	9.6
187.04007	3.3
189.01825	8.9
190.01341	7.1
192.00580	7.4
193.01340	21.7
194.99297	10.3
198.01857	10.0
199.04028	6.2
200.03363	4.1
202.01392	10.4
202.99841	3.1
204.02809	4.2
205.01332	3.2
206.91103	3.2
206.99336	6.9
211.03970	9.3
214.01317	19.0
215.03407	7.5
216.02890	4.8
217.01360	5.4
219.02924	4.3
227.03477	6.5
229.63060	3.0
230.00867	11.7
239.03563	5.8
241.01253	4.2
242.02234	6.9
243.02962	11.4
255.02837	7.7
257.04587	5.6
259.02435	3.7
266.04633	7.4
267.02975	6.6
268.02206	4.0
270.01624	6.0
270.04211	3.7
271.02487	20.3
272.03098	5.8
273.03931	5.2
273.88937	3.1
279.06763	3.5
283.02341	5.8
284.05630	3.2
285.04144	6.7
287.01971	9.3
294.04153	7.4
298.01093	6.4
299.01907	15.1
301.03549	13.9
310.03534	9.6
311.01938	29.4
312.05246	6.5
316.02213	100.0
317.02661	12.7
329.03003	20.6
338.02975	25.5
339.03564	3.9
342.07458	4.6
355.99634	5.6
356.03970	92.3
357.04498	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	356.099
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
56.25543	0.4
59.01248	2.0
64.86230	0.4
66.31898	0.4
71.01254	1.7
72.16377	0.4
80.83685	0.4
85.02839	0.9
89.02306	0.5
93.03407	0.4
98.19768	1.1
101.02337	0.6
106.06516	100.0
107.06872	3.0
108.08080	6.7
113.02337	1.3
118.06493	0.9
119.04970	0.5
130.06497	1.0
131.03656	1.2
136.07579	0.5
150.05525	56.4
151.05894	2.6
160.74863	0.5
162.05566	0.8
164.07104	9.9
174.05544	1.1
192.06601	7.7
194.04541	27.4
195.04802	0.9
217.01341	0.6
236.05627	3.8
279.06204	0.4
296.07712	4.2
312.41992	0.4
327.12451	1.2
331.47357	0.5
356.09915	7.3
357.10107	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	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22823	0.3
50.34582	0.3
53.42541	0.3
54.53717	0.3
59.01252	1.6
69.34695	2.2
71.01252	1.6
75.29368	0.3
85.02822	0.8
89.02313	0.5
96.95919	0.6
101.02312	0.4
104.04961	0.7
106.06519	100.0
107.06272	0.4
107.06866	3.2
112.11802	0.3
113.02354	2.1
118.06522	3.1
120.08091	0.7
135.04440	0.7
146.06001	1.0
150.05527	85.6
151.03989	0.5
151.05901	3.3
161.02380	0.3
162.05508	0.6
164.07094	12.8
165.07381	0.8
182.91603	0.3
188.03235	0.3
191.05696	0.3
192.06621	11.2
193.07013	0.5
194.04539	12.3
195.04865	0.7
198.09444	0.3
204.89757	0.3
205.12447	0.3
207.97079	0.3
218.96812	0.3
236.05560	1.5
245.78088	0.4
266.00235	0.3
276.14999	0.3
296.07861	1.2
339.05255	0.5
356.09811	4.3
357.06296	0.7
357.10095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06006	5.8
59.01236	12.6
60.53111	5.0
61.98706	100.0
64.50046	6.9
66.65232	5.5
69.22343	51.5
74.62921	7.5
90.32101	6.4
96.95904	18.4
98.19994	26.8
115.99747	5.5
119.93015	5.7
121.02850	14.7
171.48210	6.5
297.00519	9.0
299.05551	10.0
314.07846	8.4
327.05225	21.7
342.07413	30.2
357.06143	9.5
357.09921	36.0
357.17282	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
63.05150	0.2
67.16243	0.2
71.33865	0.2
71.34191	0.2
73.92079	0.2
77.03844	0.3
83.67756	0.2
105.49617	0.2
121.02845	100.0
122.03180	4.1
132.04414	0.2
136.07576	0.6
139.47379	0.2
163.40283	0.2
165.01793	1.0
180.05717	1.5
181.06506	6.8
182.06859	0.5
184.01532	0.2
197.06111	0.2
221.09436	0.2
225.05511	6.2
226.05969	0.5
263.16150	0.2
313.07162	8.1
314.07681	1.1
325.12128	0.2
327.25342	0.4
334.17319	0.2
336.20193	0.2
342.07272	0.3
357.06146	30.5
357.26318	1.8
358.06473	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.97337	0.8
53.12380	0.8
59.01252	18.4
61.87600	0.7
64.76015	0.9
65.70910	0.9
66.79474	0.8
70.03411	2.2
70.03818	2.1
80.32227	0.8
81.07774	0.8
85.02803	1.3
89.08596	0.7
97.22758	0.8
108.02047	2.0
119.04882	1.7
121.02831	1.8
123.04402	2.7
124.01531	1.0
134.03613	1.4
135.04399	9.0
136.05219	9.5
136.39906	1.1
137.05428	0.9
151.03877	3.2
151.07567	3.7
191.05556	1.9
195.06560	100.0
196.06912	4.6
342.07434	1.0
357.09445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2649
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01253	0.7
61.90289	0.3
61.98705	0.3
65.91089	0.3
69.03303	0.4
118.59236	0.3
121.02881	1.9
139.11172	0.5
141.12691	0.7
171.10176	0.5
185.11765	3.7
208.00349	0.3
228.05655	0.4
240.04109	0.4
254.75429	0.4
284.03079	0.4
297.24359	1.6
309.24283	2.9
321.24313	0.4
325.23843	1.2
327.25421	19.3
328.25735	1.8
339.25397	4.2
340.26205	0.3
342.07581	1.0
355.24969	1.2
357.09885	1.2
357.26483	100.0
358.26846	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	357.2648
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03318	0.7
59.01252	0.4
70.93697	0.6
75.82327	0.3
82.50450	0.3
83.01249	1.3
83.67597	0.2
111.68461	0.3
113.09563	0.3
125.09662	0.3
127.11180	0.4
130.77058	0.3
139.11188	0.4
141.12730	0.7
171.10188	1.8
185.11748	1.8
199.13326	0.4
224.16589	0.3
241.34970	0.3
281.25079	0.4
297.24353	2.9
309.24387	2.8
311.26025	0.7
312.02701	0.4
321.24402	1.1
325.23883	1.7
327.05008	0.4
327.25388	21.5
328.25800	2.7
339.25391	4.0
340.25668	0.6
342.07474	1.1
355.24847	1.8
357.09662	1.0
357.26465	100.0
358.26816	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83110	0.9
59.01247	5.3
71.01252	3.2
71.54421	1.2
85.02798	1.1
89.02332	1.1
95.01241	1.3
96.95882	3.4
101.02298	1.4
108.08074	100.0
109.02816	3.0
109.08398	4.6
113.02313	2.5
116.94701	0.8
120.08061	2.9
121.02805	0.8
132.08078	2.0
135.04391	1.8
136.01591	4.1
137.01898	1.8
148.07556	1.9
150.03105	0.9
151.03915	4.5
152.04286	3.4
152.07079	94.9
153.07407	2.7
153.09105	2.0
164.06996	0.8
166.08659	18.0
173.05994	1.2
175.81181	0.9
179.03497	0.9
179.07062	1.2
180.07774	4.3
191.05482	0.9
193.05075	0.8
194.08162	11.3
195.10240	0.9
196.06082	64.8
197.06393	3.5
197.08034	1.2
197.11781	6.5
203.43318	0.8
208.07251	1.6
223.09700	8.3
238.07201	11.3
241.05052	0.9
255.06656	1.1
268.07996	0.9
268.67294	0.9
269.08234	0.9
280.08133	0.8
298.09290	7.3
299.09213	1.0
301.03687	0.9
314.20981	1.1
329.03043	1.4
329.13989	1.0
343.11642	1.1
344.12604	3.4
347.94730	0.8
358.10974	8.4
359.07697	3.0
359.14844	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01751	0.6
57.03319	1.2
58.00470	1.0
58.82291	0.5
59.01252	14.7
65.00200	0.5
71.01250	12.1
73.02813	0.8
83.01232	1.1
85.02826	4.6
87.00767	0.7
89.02325	8.3
95.01292	1.9
96.95912	1.5
97.02823	1.2
99.04388	1.2
101.02318	5.8
107.01250	0.8
107.08566	1.7
109.02846	0.6
109.06467	0.6
111.00759	0.8
111.04398	2.0
113.02340	6.6
119.03402	2.6
125.02310	0.7
133.10168	2.9
135.04398	0.8
135.08041	4.3
139.07509	0.9
145.47635	0.6
151.00284	1.9
153.01857	0.7
153.09119	100.0
154.09468	4.3
161.04501	0.6
163.04057	0.6
167.10730	1.4
169.01276	0.7
177.09102	0.9
178.99736	2.0
179.05649	0.6
179.07066	1.5
185.87830	0.5
188.90715	0.6
195.10222	2.1
197.08128	93.1
198.08504	5.2
205.12212	0.6
239.09258	3.1
260.59961	0.5
273.03928	0.6
298.00394	0.6
299.01953	0.9
299.04990	0.5
301.03391	0.8
303.37640	0.5
316.01978	0.6
329.02927	0.9
359.07623	3.6
359.13403	0.7
360.03378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
52.41285	0.5
52.49976	0.5
54.58376	0.5
57.03326	0.9
58.00455	0.8
59.01253	11.7
69.48518	0.5
69.66970	1.1
69.67382	1.5
71.01252	7.7
71.04890	0.9
72.99165	0.8
73.02847	0.7
81.16865	0.5
85.02823	3.2
87.00755	0.6
89.02321	4.4
95.01265	1.3
95.04911	0.5
96.95898	6.8
98.19790	1.0
99.04388	1.2
101.01762	0.5
101.02303	2.9
103.90085	0.5
109.02844	1.4
109.06437	0.5
111.04420	0.8
113.02316	5.0
119.03397	1.7
119.04944	0.8
120.05719	0.6
121.06628	0.7
122.03632	1.0
133.10130	0.9
135.04411	1.8
135.08101	2.7
136.01556	0.7
137.02341	0.7
137.05975	0.6
137.09610	0.7
139.07535	3.9
151.00536	0.8
151.03902	0.5
153.09122	100.0
154.09459	5.5
159.04439	0.6
160.05290	1.0
162.99123	0.5
163.03902	1.5
166.06323	0.7
167.10704	2.5
168.07880	1.0
177.09183	0.8
179.03427	2.2
179.07124	2.7
180.07716	0.9
194.05766	0.7
195.10210	1.9
197.08133	59.7
198.08437	3.8
205.12343	0.8
223.09706	1.1
239.09120	4.7
299.11517	0.8
300.09824	0.7
301.10910	1.1
329.10269	3.3
329.14041	1.4
344.12750	1.5
358.42709	0.6
359.07977	13.2
359.14987	3.2
360.08319	1.7
370.04047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
57.03300	1.0
59.01252	12.1
69.83290	5.2
71.01257	9.4
72.99191	2.1
73.02808	1.1
75.00719	0.9
83.01244	1.0
85.02831	4.1
86.83785	1.1
89.02338	5.9
93.03369	1.2
95.01276	1.5
97.02855	1.0
101.02336	5.3
107.08556	1.1
111.04435	1.3
113.02322	5.6
119.03402	1.9
133.10156	2.4
135.04440	1.0
135.08067	5.4
149.09671	1.1
153.09119	100.0
154.09476	3.5
161.04485	1.1
167.10683	1.3
179.03270	1.1
179.07059	2.2
191.05530	3.6
194.14088	1.1
197.08133	66.8
198.08466	4.6
205.44485	1.0
213.87813	1.1
231.31227	1.0
239.09241	2.7
241.70938	1.0
242.05991	1.1
300.17548	1.0
329.10742	1.1
348.73984	1.0
359.07642	3.1
359.11990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.6
59.45634	0.4
71.34241	0.7
78.19610	0.4
78.67749	0.4
88.58022	0.4
95.04867	0.5
95.11150	0.4
96.13387	0.5
96.95877	1.0
105.06992	0.6
107.04921	1.0
108.02069	2.2
109.02888	0.4
120.97008	0.4
121.02834	1.3
121.06491	2.4
122.03642	1.1
123.04385	3.1
123.57420	0.4
125.02358	0.6
129.71312	0.4
134.03648	1.1
135.04414	29.3
136.04753	0.8
137.02385	0.5
147.04414	0.7
149.02335	1.8
149.05995	10.5
150.03125	8.5
150.06346	0.6
151.03880	1.0
163.03949	1.7
164.04672	1.1
165.05481	3.4
166.02612	0.6
166.06229	0.8
179.03644	0.7
179.07062	21.7
180.07837	57.6
181.08162	3.4
182.05766	1.4
192.07906	1.0
193.04974	0.6
194.05768	4.0
194.09433	3.7
195.06445	0.8
195.10197	8.2
208.07356	14.4
212.06851	2.2
222.08904	2.0
223.09706	100.0
224.10049	6.0
226.08414	6.2
227.08800	0.5
235.09775	1.2
255.06750	0.6
269.08249	1.6
283.09628	1.0
295.09802	0.5
299.09198	1.2
300.10025	2.4
311.09393	1.7
315.12329	2.0
316.13177	1.7
326.11722	2.7
329.03229	0.6
329.10376	1.0
329.14011	1.0
331.15405	4.5
341.13855	0.9
359.07742	1.6
359.15030	9.8
360.15146	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	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
59.01250	0.5
61.98700	0.2
63.78329	0.2
70.53696	0.2
79.93272	0.2
111.08044	0.4
127.11160	0.5
137.09618	0.4
141.12726	0.5
158.32603	0.2
178.64351	0.2
185.11726	0.3
210.14867	0.2
253.21936	0.3
254.18909	0.2
267.23050	0.3
271.22711	0.3
280.51257	0.3
303.44827	0.2
311.22302	0.8
311.26028	1.1
313.23871	6.8
314.24222	0.9
329.03003	0.6
339.25400	0.3
341.26816	1.7
344.05377	0.3
357.26511	1.3
359.07730	0.7
359.28030	100.0
360.28375	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	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01247	2.1
59.06140	0.6
61.53811	0.5
61.98689	0.8
69.89395	2.7
77.62113	0.6
96.95902	0.5
139.44603	0.6
140.59358	0.6
153.17856	0.6
177.01755	0.6
185.11638	0.7
193.51454	0.6
201.61456	0.6
203.85216	0.6
210.45811	0.7
257.04758	0.7
286.01248	1.0
301.03421	2.9
311.25815	0.9
313.23862	6.2
314.00620	0.7
315.96378	0.6
329.03104	4.8
330.03281	0.8
341.26874	1.8
343.04550	0.9
344.05273	1.0
357.26624	1.1
359.07684	10.5
359.28024	100.0
360.08078	1.9
360.28394	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	361.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83302	1.1
55.01757	3.0
57.03330	2.8
59.01237	3.2
65.03825	1.4
69.03320	2.4
69.88998	3.7
69.89409	2.2
71.01266	3.6
72.99179	5.7
74.80972	1.2
75.00741	14.4
81.03338	4.3
83.01299	1.2
83.04903	6.0
85.02833	3.3
85.06431	1.4
87.00751	12.7
93.03336	14.1
95.01247	2.0
95.04936	4.4
96.95892	60.3
97.02840	3.3
101.02337	2.0
105.01816	4.8
105.03365	2.7
107.04928	5.1
108.02053	5.3
109.02852	4.8
111.04391	2.4
114.86490	1.1
119.04915	3.6
121.02799	7.0
121.06428	2.2
122.03656	1.7
123.04413	15.7
123.08072	9.8
125.02361	1.3
129.01846	2.5
133.02861	11.3
134.03542	1.3
134.64896	1.4
135.04427	7.1
136.01543	1.3
137.02383	3.8
137.09612	2.6
139.07533	1.9
144.29283	1.3
145.02896	1.6
147.02863	3.1
149.02344	1.8
151.03937	22.6
151.07590	2.0
161.02286	1.5
162.03120	1.9
163.03941	5.6
165.03961	47.1
171.11716	14.5
173.04466	3.1
177.01831	1.5
178.02785	1.7
179.03380	7.3
183.58211	1.4
189.12737	6.0
191.05559	10.8
192.05891	2.7
195.03004	5.9
196.03693	1.7
201.12801	4.8
207.13890	2.9
213.04092	3.8
221.02596	1.2
237.14932	13.9
242.13339	1.1
251.57678	2.4
281.13986	21.0
303.29654	1.4
311.07834	2.6
332.86172	1.3
347.17032	1.4
361.09668	100.0
362.10049	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	361.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25943	4.7
58.25190	4.7
59.01255	19.8
69.67613	21.3
71.01260	20.9
72.61821	4.3
72.99191	28.3
73.02835	4.8
75.00743	25.1
83.07690	5.1
83.50578	4.4
85.02827	10.0
87.00755	16.7
89.02309	16.4
93.03344	23.1
96.95907	26.1
101.02357	9.9
103.75131	4.8
105.01792	11.2
107.04917	6.7
108.02065	6.9
109.02908	5.9
113.02345	7.1
119.04926	22.3
121.02870	15.8
123.04398	33.2
133.02847	11.7
137.02359	16.5
137.05948	5.1
147.02876	11.7
149.02299	8.0
149.04375	6.9
151.03922	43.7
155.10692	12.8
163.03944	11.3
165.03978	100.0
166.04376	7.3
167.03429	8.2
181.05016	7.0
191.05559	16.4
195.02971	10.4
199.09645	6.8
269.65149	4.8
321.12796	5.3
361.09637	21.5
361.14581	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	0.8
59.01255	4.7
66.23720	0.4
70.77773	0.5
71.01257	3.5
71.53889	0.6
72.99204	0.8
73.02828	2.9
85.02834	2.4
87.00742	0.5
87.04400	1.3
89.02327	1.9
95.01283	1.0
96.95902	3.0
101.02307	1.9
113.02320	3.0
121.86971	0.5
124.00082	0.5
135.08060	2.0
137.09624	18.0
138.09944	1.2
139.11211	0.7
140.71414	0.5
155.10686	100.0
156.11008	4.3
169.12248	1.8
181.08609	2.5
191.05551	1.6
199.09694	85.7
200.10065	5.6
217.80153	0.5
224.45630	0.4
231.27003	0.6
241.10782	5.4
248.20108	0.5
313.10684	0.7
360.93182	0.6
361.09271	2.0
361.14545	1.3
361.22305	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	361.1506
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
59.01244	2.2
59.40117	0.6
60.24339	0.6
63.11551	0.6
64.36840	0.6
69.67763	1.7
69.68162	2.1
71.01266	1.9
73.02830	2.5
73.53320	0.6
79.95585	0.8
85.02833	1.9
87.04392	2.8
87.84283	0.7
89.89821	0.7
96.95898	5.5
98.20566	0.7
101.02280	0.9
107.52473	0.7
113.02357	3.7
135.08057	1.6
137.09621	11.4
139.11246	0.8
155.10681	100.0
156.11031	4.9
168.04196	0.7
169.12344	0.8
181.08568	1.3
191.05496	1.4
199.09689	97.1
200.10042	6.1
213.11267	1.1
217.22441	0.7
240.04222	1.6
241.10770	6.7
283.06384	0.9
298.08490	1.0
313.10818	1.4
361.09750	4.4
361.14188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
53.65278	0.8
59.01245	4.0
60.41964	0.7
71.01257	3.2
71.11610	1.7
71.68030	0.7
73.02831	2.7
78.14224	0.8
81.04855	0.9
85.02834	1.4
87.04414	1.8
96.95924	0.8
101.02328	1.2
113.02326	1.7
129.50557	0.8
135.08043	2.2
137.09613	15.9
137.12614	0.7
152.79692	0.7
155.10686	100.0
156.11029	5.5
160.15909	0.7
167.08443	0.7
181.08607	1.4
199.09686	76.7
200.10098	4.5
241.10745	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.6
55.24928	0.3
57.03315	1.0
58.00469	0.7
59.01257	13.3
60.01596	0.6
61.92498	0.3
65.19466	0.3
70.56106	0.5
70.56418	0.4
71.01257	15.5
72.99191	1.2
73.02826	5.1
83.01257	4.0
85.02830	7.1
85.99990	1.2
87.00780	0.9
89.02332	2.6
93.03346	0.3
95.01276	1.3
96.95917	0.6
97.02852	0.5
97.55635	0.3
99.00750	1.5
101.02328	11.9
102.02659	0.4
109.02880	0.6
111.00781	0.9
113.02328	4.5
119.03391	0.8
119.12641	0.4
121.02844	1.9
122.03648	0.9
147.04437	1.0
155.10690	0.8
159.02933	0.4
161.04483	0.4
161.05916	0.4
165.05489	2.8
178.04575	0.4
179.07094	1.1
181.12267	1.3
199.13356	7.0
200.13742	0.5
343.17633	1.4
346.14258	0.6
361.18762	100.0
362.19153	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68313	0.5
55.01761	1.0
57.03310	1.0
57.25807	0.6
59.00990	0.9
59.01255	11.2
69.13824	0.6
71.01260	11.8
71.54461	0.5
72.99172	1.2
73.02819	3.6
75.69965	0.7
83.01247	2.8
85.02829	5.0
87.00751	1.1
89.02325	1.6
95.01254	0.9
96.95876	2.7
99.00790	1.1
101.02321	7.3
111.00773	1.2
111.66010	0.5
113.02345	2.0
125.02315	0.9
135.04283	0.6
153.12761	0.8
155.10765	0.6
199.13344	8.4
343.17676	1.5
361.18689	100.0
361.25989	4.5
362.18964	9.8
384.32016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.5
58.00468	4.6
59.01251	100.0
60.01585	0.8
69.03312	2.4
70.85217	1.4
70.85553	1.7
71.01254	60.9
71.52493	0.9
72.01572	1.2
72.12322	0.7
72.99200	4.5
72.99519	0.9
73.02827	1.2
79.95588	1.3
81.03354	0.8
83.01286	2.1
83.04898	1.0
85.02823	90.6
86.03130	1.8
87.00746	3.8
89.02319	86.2
90.02610	1.9
94.42032	0.8
95.01260	3.0
96.95890	12.0
101.02322	32.9
113.02329	27.5
113.16860	1.1
114.02621	0.9
119.03395	35.7
120.03677	0.9
121.10116	6.6
125.02390	0.8
131.03395	4.1
137.61197	0.8
139.11156	3.1
143.03423	6.4
148.99448	0.8
149.04466	4.2
149.81532	0.7
151.03934	1.1
161.04491	5.6
166.99750	0.9
179.04106	1.2
179.05525	15.6
183.10194	50.0
184.10475	2.8
201.11249	2.7
203.37834	0.9
221.15385	1.2
235.06337	1.3
283.15518	2.2
315.42673	0.9
319.12338	2.4
363.11090	10.3
363.16486	3.6
363.23773	1.8
364.11862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82652	11.0
55.17723	11.9
59.01253	12.3
62.95671	11.3
70.23557	38.8
71.01266	24.7
85.02830	20.9
88.71535	11.1
89.95097	12.4
96.95918	12.8
101.02344	10.9
160.03903	62.4
170.58777	11.9
191.05515	100.0
312.02695	11.2
347.09830	17.8
365.10547	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67130	53.1
63.19513	48.2
76.33185	52.7
112.98746	53.9
115.70547	44.7
191.05576	100.0
290.47946	53.6
367.84210	50.7
381.92197	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48577	0.6
52.55318	0.6
53.91849	0.5
55.01762	1.5
57.03311	1.0
59.01252	7.6
69.47621	4.1
71.01244	7.0
72.99200	0.7
73.02817	2.8
83.01273	3.1
85.02827	3.6
85.99970	1.1
87.00718	0.9
89.02334	0.9
94.99097	0.6
95.01269	0.9
99.00754	1.5
101.02330	8.8
109.76653	0.6
111.00798	0.9
113.02309	2.7
119.13733	0.7
157.12244	2.4
172.81265	0.6
191.07243	0.6
203.12846	6.1
249.40285	0.6
292.45721	0.6
301.66776	0.8
319.17688	0.7
347.16895	1.1
365.18134	100.0
366.18442	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66752	0.7
54.17334	0.7
55.01765	0.9
57.03338	1.4
58.00469	4.0
59.01252	100.0
60.01589	1.1
69.03300	1.0
69.42106	1.6
69.42508	2.8
71.01255	69.7
72.01582	1.3
72.99182	5.8
73.02822	2.0
73.89417	0.7
75.00745	1.0
83.01269	2.7
85.02825	89.9
86.03137	1.4
87.00758	3.2
89.02319	93.2
90.02647	1.2
95.01254	4.1
96.95885	1.8
98.20544	1.3
99.00751	1.4
99.08010	1.2
101.02324	37.0
102.02636	0.7
113.02332	27.2
119.03392	39.8
126.99393	1.0
127.00257	9.7
130.15961	0.7
131.03409	4.3
139.00282	0.8
143.03409	7.2
149.04460	4.0
149.05797	0.6
161.04462	5.6
167.10652	2.2
179.04115	1.1
179.05540	16.4
180.05847	0.9
185.11760	48.3
186.12057	2.2
220.05927	0.8
261.74271	0.7
269.12085	0.7
335.47021	0.8
365.13220	0.9
365.17899	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03326	1.0
58.00467	4.9
59.01252	97.7
60.01600	0.9
60.99161	0.8
61.79427	0.6
70.68515	1.6
71.01255	62.8
72.01582	1.1
72.99179	6.0
73.02810	1.3
83.01264	2.3
84.02049	0.8
85.02826	100.0
86.03162	2.0
87.00760	4.2
89.02319	88.4
90.02670	1.3
95.01250	4.0
96.95882	1.5
99.08005	1.3
101.02328	33.6
113.02331	26.1
114.02637	0.8
119.03392	37.8
125.02290	1.1
131.03418	4.6
143.03410	6.1
149.04425	3.5
161.04469	6.4
167.00015	0.7
167.10693	1.5
179.05539	22.7
185.11765	50.6
185.68753	0.6
186.12112	3.3
199.84084	0.6
217.72870	0.6
220.32065	0.7
365.18152	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	365.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23127	18.8
55.31505	19.2
59.01244	54.5
64.41791	25.6
69.81391	100.0
71.32469	19.3
72.38486	21.6
90.29475	18.0
90.55322	20.3
98.20493	28.9
112.52237	22.5
112.97252	20.6
259.87747	24.6
268.86975	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10411	0.7
52.10704	0.9
57.03329	5.8
63.02279	1.6
65.00195	4.6
71.40943	1.0
81.03318	1.6
83.01263	4.8
93.03311	1.8
105.16463	0.9
107.01266	3.4
109.02824	1.7
121.02802	0.8
123.04459	1.5
124.01517	2.2
125.02338	70.0
126.02663	1.0
131.04863	1.4
133.02821	2.6
134.03644	2.1
135.04384	1.2
151.00273	9.6
152.01054	6.8
153.01836	2.6
156.05627	1.0
157.06479	2.4
159.04381	1.3
165.01816	1.1
172.05103	1.0
173.06001	4.3
177.04276	0.9
177.05505	9.4
178.99811	4.5
191.05563	1.9
193.04959	1.3
199.07545	1.7
201.05496	6.9
205.12206	1.2
210.90813	1.1
213.05470	1.2
215.06978	4.1
219.06573	1.6
241.05145	1.7
243.06595	10.1
244.06908	1.0
259.06094	55.1
260.06445	3.1
269.04456	1.5
273.60825	1.0
287.05618	100.0
288.05988	7.3
367.01224	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	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.66042	0.4
59.01255	0.5
59.34797	0.4
62.33937	0.4
71.01268	0.6
71.09055	0.8
81.03358	0.5
83.04898	0.8
85.02819	2.4
87.00775	0.5
89.03828	3.0
93.03337	2.9
103.73486	0.5
106.04134	0.4
111.04410	1.5
117.03346	9.5
120.15272	0.4
127.03889	0.7
132.63219	0.4
134.03632	78.8
135.03986	4.4
137.02335	0.5
149.05995	3.4
155.03400	2.2
159.86932	0.4
170.77063	0.5
173.04477	5.3
191.05533	9.5
191.07140	0.7
193.05002	100.0
194.05327	6.5
213.15924	0.5
235.11829	0.8
250.37244	0.5
289.92532	0.5
367.10361	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	367.1034
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
54.99347	0.4
57.03323	0.4
58.16624	0.4
59.01253	0.6
60.99167	1.1
63.68328	0.3
67.01768	3.2
69.03325	1.0
69.85264	0.8
69.85667	0.6
71.01265	1.6
80.56051	0.3
81.03323	0.6
83.04907	0.6
85.02840	2.5
87.00759	5.1
89.03849	0.5
93.03337	20.6
94.03663	0.5
109.02792	0.4
110.12479	0.4
111.04414	3.1
117.03336	0.7
127.03899	0.7
129.01802	0.6
134.03644	7.5
137.02316	0.5
149.05975	0.6
155.03392	1.1
173.04486	17.6
174.04747	0.6
175.03931	0.6
191.05557	100.0
192.05879	3.9
192.07460	0.4
193.05028	5.4
194.05348	0.5
251.40002	0.4
263.61981	0.3
274.76328	0.4
290.94354	0.4
367.10263	3.5
368.10446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01247	1.6
60.99181	0.3
67.01767	0.9
69.03331	0.4
69.63960	0.7
71.01254	0.8
73.02808	0.4
74.10905	0.1
81.03336	0.4
83.01264	0.2
83.04898	0.4
85.02824	8.5
85.10156	0.1
87.00759	2.9
87.22409	0.1
93.03340	6.4
93.36610	0.1
96.95913	0.2
99.00768	0.3
99.04398	0.4
101.02338	0.2
106.17451	0.1
109.02821	0.8
111.00793	0.2
111.04408	1.7
113.02321	0.2
115.03822	0.2
117.03354	0.3
121.02826	0.2
125.02339	2.2
126.02640	0.2
127.03901	2.3
129.01814	0.1
134.03636	4.0
135.03987	0.2
143.03430	0.1
149.02448	0.3
149.05972	0.2
151.00243	0.2
155.03429	0.4
157.06572	0.1
160.01581	0.3
160.68883	0.1
171.02910	0.6
173.04480	2.8
175.03882	0.3
177.05441	0.3
178.99809	0.2
191.05544	100.0
192.05884	4.4
193.05013	1.6
201.05595	0.2
215.07141	0.2
243.06709	0.2
259.06110	1.9
273.90268	0.2
287.05621	2.7
288.06165	0.3
367.01166	0.3
367.10287	1.2
368.10593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2493
Annotation	Carboprost
Peak:m/z	Relative Intensity
50.74277	1.2
51.34527	1.1
52.58638	1.2
59.01255	8.7
61.98716	1.7
70.59460	2.0
81.06976	3.0
82.80520	1.1
93.03316	1.9
104.68093	1.3
120.78481	1.2
134.03616	2.9
153.09148	2.6
162.03966	1.2
163.09850	1.8
163.11206	29.5
164.11519	2.7
171.10205	49.4
172.10513	2.7
191.05553	3.2
193.05061	3.9
207.10262	2.4
220.72095	1.2
267.13861	1.3
307.10562	3.2
367.24915	100.0
368.25278	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	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34928	1.9
58.25589	2.1
59.01245	10.4
59.12318	2.1
64.84158	2.0
68.56791	2.4
82.34472	2.1
85.42004	2.1
92.07598	1.9
98.20619	4.0
107.17095	2.1
111.04376	2.5
125.09594	5.6
126.76368	2.2
134.03616	4.2
135.04385	3.5
141.09105	3.3
165.12775	4.8
179.14296	4.4
193.04984	4.1
193.12267	10.8
219.13934	3.9
231.21767	2.6
265.14355	2.7
273.22208	23.8
274.22342	2.8
307.10242	4.0
317.17615	4.3
317.21216	71.9
318.21518	8.3
334.21542	5.3
335.22260	100.0
336.22656	13.0
349.23837	4.5
367.25018	24.6
368.24860	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	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01247	1.7
61.19443	0.9
62.90404	0.9
63.14851	1.1
71.01547	1.7
77.47273	1.1
122.26587	1.0
133.06506	8.5
147.99413	0.9
149.09631	78.9
150.09955	3.6
167.46629	0.9
205.15936	46.4
206.16260	3.8
237.96858	1.1
242.91089	1.0
260.73798	1.0
290.97687	1.1
295.16983	3.3
309.06998	1.1
313.61270	1.0
328.16760	3.4
367.26440	100.0
368.26761	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.8
59.01253	2.2
60.99183	1.9
65.03841	0.2
67.01765	5.2
69.03329	1.0
69.50016	1.1
71.01258	2.4
72.99205	0.4
73.02834	0.5
76.57453	0.2
81.03342	1.4
83.04901	1.3
85.02830	11.0
86.03179	0.3
87.00757	9.8
88.01123	0.2
89.03820	0.3
93.03344	33.0
94.03686	1.1
95.01267	0.3
95.04903	1.0
97.02899	0.2
99.00781	0.7
99.04408	0.7
103.58546	0.2
105.03339	1.4
107.04938	0.6
107.16585	0.2
108.02075	0.3
109.02838	2.7
111.04408	5.4
113.02325	0.3
115.03938	0.3
121.02853	1.4
122.03647	1.9
123.04424	39.4
124.04792	1.2
125.02319	0.4
127.03930	2.6
129.01846	1.0
133.02858	10.4
134.03206	0.4
135.02184	0.2
135.04431	1.1
137.02382	1.3
138.02615	0.2
139.03873	0.3
143.93936	0.2
146.99385	0.2
149.02371	1.4
150.02951	0.4
151.02837	0.3
151.03929	1.8
153.01813	0.3
154.02643	0.5
155.03415	1.5
171.02989	1.1
173.04482	22.8
174.04840	0.8
176.01053	0.2
177.01862	8.2
178.02223	0.6
179.03458	0.3
191.05551	100.0
192.05902	5.0
194.02151	0.2
195.02937	10.7
196.03273	0.5
207.05011	0.4
215.05528	1.0
228.50165	0.2
261.38513	0.2
304.26096	0.2
307.08221	0.3
351.07141	1.1
369.08252	15.3
370.08447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.0
59.01252	2.5
60.99185	2.1
67.01768	7.1
69.03331	2.0
69.66890	2.9
71.01263	3.7
72.99195	1.1
73.02800	1.1
81.03341	2.3
83.04905	1.0
85.02830	14.0
87.00759	10.5
93.03346	40.7
94.03703	1.4
95.04896	1.3
99.00780	1.4
99.04416	1.4
105.03377	3.0
107.04901	1.3
109.02866	2.1
111.04415	6.4
116.16353	0.8
121.02865	1.8
122.03628	2.1
123.04429	40.8
124.04774	2.2
127.03885	5.0
129.01843	1.6
133.02861	14.3
134.03175	1.2
135.04408	1.7
137.02356	1.8
139.84464	0.8
149.02350	2.9
151.03983	2.6
155.03465	1.9
164.38475	0.7
173.04480	26.1
177.01843	8.7
177.85841	0.7
191.05556	100.0
192.05943	5.9
195.02954	12.1
195.04845	0.9
195.05450	0.8
215.05646	1.1
351.07236	1.9
351.44724	0.8
369.08240	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91538	0.8
59.01247	1.9
64.44143	0.7
67.01762	4.6
68.71170	0.7
69.03331	1.8
71.01244	2.6
71.02377	1.7
79.01823	0.7
83.04859	1.1
85.02814	9.5
87.00745	10.7
89.91389	0.8
90.30801	0.8
93.03331	35.7
94.03682	2.1
95.04888	1.8
101.02253	1.0
105.03335	2.1
107.04911	1.1
108.02010	1.6
109.02810	4.0
111.04417	4.6
111.15810	0.7
121.02843	0.9
122.03669	1.4
123.04414	28.9
124.04750	2.0
125.02324	1.0
127.03892	1.5
129.01768	1.1
133.02849	9.5
135.04420	0.8
137.02313	0.8
149.02354	1.7
151.03914	6.4
155.03375	1.8
163.03989	1.1
173.04474	22.4
174.04796	1.7
177.01830	6.8
191.05540	100.0
192.05847	5.2
195.02916	10.0
207.05019	1.3
352.01804	0.9
369.03687	0.7
369.08148	15.7
370.08649	2.1
371.34326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
60.99173	1.5
63.32484	0.6
67.01769	4.8
69.03312	0.9
70.92086	1.4
71.01247	2.5
81.03337	1.6
83.04873	0.9
85.02831	10.5
86.58711	0.7
87.00755	10.0
89.03864	0.8
93.03338	34.4
94.03687	1.0
95.04887	2.2
97.18936	0.6
99.00816	1.4
105.03346	1.7
108.02070	1.3
109.02839	2.1
111.04404	5.1
119.04939	0.8
121.02841	1.9
123.04420	32.2
124.04748	1.2
127.03878	1.8
129.01810	1.7
133.02863	11.2
135.04393	1.8
137.02412	1.2
149.02357	2.3
151.03902	6.4
155.03474	1.1
162.39731	0.7
173.04482	25.6
174.04756	1.1
177.01863	7.4
191.05545	100.0
192.05817	3.9
195.02908	11.2
197.96524	0.8
201.55475	0.7
207.05008	1.0
215.05579	0.8
222.44751	0.8
351.07001	0.9
369.08212	20.5
370.08453	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05407	0.6
55.03642	0.7
59.01260	2.8
60.99183	2.1
65.03862	0.9
67.01765	6.1
69.03331	2.3
70.56425	1.8
71.01246	4.1
72.99214	0.7
75.33368	0.7
81.03341	4.0
83.01257	1.4
85.02831	9.0
87.00752	15.4
89.03852	1.3
93.03340	54.3
94.03683	2.3
95.04909	2.5
96.61468	0.7
97.02871	1.3
99.00694	0.9
99.04392	1.2
101.02324	1.1
105.03354	2.6
107.04909	3.6
108.02056	5.0
109.02837	10.8
111.00755	0.8
111.04406	7.9
119.04922	3.4
119.95972	0.7
121.02835	3.1
123.00770	1.2
123.04416	21.8
124.04751	0.9
125.02364	3.2
127.00320	0.7
127.03898	2.0
129.01845	2.6
133.02855	15.4
135.00790	2.1
135.04451	1.3
137.02353	1.3
149.02357	3.5
150.03090	0.9
151.02698	1.1
151.03923	23.7
152.04187	0.7
155.03415	2.4
163.03909	1.9
171.02893	1.2
173.04477	40.5
174.04837	2.0
177.01863	9.4
191.05547	100.0
192.05885	5.5
195.02930	19.3
196.03221	0.8
207.04918	0.9
207.83929	0.7
223.04585	1.7
247.69640	0.8
248.48671	0.7
263.44931	0.7
306.89075	0.7
308.87350	0.7
351.07181	1.1
352.79767	1.0
369.08215	26.2
370.08444	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	369.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	7.6
69.35725	49.5
71.01258	16.6
73.02822	15.2
75.00738	6.2
85.02839	21.7
86.48785	6.0
87.00758	65.1
87.04424	8.0
92.97485	5.6
93.03354	16.3
101.02300	11.7
109.02825	13.5
111.04418	16.2
125.02305	7.9
127.03828	8.4
129.01848	5.9
131.03400	6.3
137.02338	6.6
143.04433	5.2
147.92921	5.3
151.03883	9.4
169.04962	7.9
173.04391	12.5
191.05544	100.0
231.04947	6.8
261.06079	11.1
306.30347	5.8
369.10333	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14934	0.2
59.01239	0.4
60.27264	0.2
69.82990	1.1
78.95776	100.0
95.96051	0.8
96.96840	33.5
98.19886	0.5
173.79617	0.2
179.00969	0.3
231.01920	0.2
339.28558	0.3
361.39325	0.2
369.21915	11.2
370.22290	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	369.2435
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
57.03331	0.3
59.01231	0.8
66.66500	0.3
71.53455	0.4
73.02797	0.3
78.95776	100.0
83.04906	0.8
95.96059	0.8
96.96842	32.0
111.39503	0.3
129.31863	0.3
165.01550	0.3
219.30699	0.3
289.96463	0.3
351.23297	0.7
369.24515	78.5
370.24786	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24057	0.1
57.03315	0.3
58.46863	0.1
59.01246	1.5
60.99174	0.6
67.01762	1.8
69.03336	0.4
70.73565	0.2
71.01256	1.4
71.61649	0.1
72.99188	0.4
73.02836	0.3
73.34293	0.1
74.49376	0.1
81.03341	0.6
81.65292	0.1
83.04897	0.6
85.02825	9.9
86.03168	0.3
87.00751	3.8
93.03338	12.0
94.03682	0.4
95.01266	0.1
99.00771	0.3
99.04386	0.4
101.02354	0.1
109.02831	1.9
111.04411	2.6
112.04737	0.2
113.02312	0.3
115.03857	0.1
123.04412	0.4
127.03902	2.6
128.04225	0.1
129.01848	0.3
133.02844	0.8
134.03645	0.4
135.04419	25.7
136.01491	0.2
136.04765	1.0
137.02335	1.9
153.01865	0.1
153.05521	0.3
155.03381	0.7
161.02351	3.2
162.02707	0.2
167.03452	0.2
171.02922	0.9
173.04466	5.3
174.04857	0.2
179.03430	1.0
191.05542	100.0
192.05882	3.6
197.04437	0.5
214.37433	0.1
228.85735	0.1
229.87357	0.1
233.06673	0.1
239.24678	0.1
341.08826	0.5
342.09033	0.1
353.08801	2.1
354.09253	0.3
371.09833	7.3
372.10333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58568	0.2
58.53381	0.2
59.01247	1.5
67.01759	1.5
69.03334	0.3
70.92051	0.5
71.01260	1.0
81.03341	0.3
83.04893	0.5
83.53578	0.3
85.02827	7.7
87.00760	2.8
93.03342	7.6
93.03922	0.5
94.03692	0.4
99.00772	0.4
99.04382	0.3
109.02859	0.8
111.04421	1.7
113.02263	0.3
127.03904	2.0
128.71875	0.2
133.02853	0.6
135.04416	7.2
136.04723	0.2
137.02342	1.4
155.03439	0.5
161.02353	2.7
171.02950	0.5
173.04468	4.3
179.03342	0.6
191.05548	100.0
192.05890	4.1
243.99361	0.2
313.97089	0.3
341.08813	0.5
353.08789	3.0
354.09195	0.3
371.09833	10.2
372.10181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70615	9.4
55.17257	9.4
59.01249	48.3
62.94950	7.8
69.33884	8.7
71.01248	51.1
72.99191	49.1
73.02818	14.4
75.00741	32.4
78.95789	11.3
84.16745	8.6
85.02812	27.2
87.00760	47.4
89.02298	22.5
92.08176	9.4
93.03326	11.5
96.95895	18.6
98.20561	22.2
101.02304	21.3
103.00267	31.4
105.50526	8.9
111.94933	9.3
113.42158	8.4
115.00228	17.5
126.94482	9.1
135.81213	9.6
141.01770	12.2
147.02838	14.5
149.14470	10.0
153.65984	8.5
167.07617	8.6
191.01920	24.3
191.05545	100.0
193.03503	15.1
212.90945	9.5
371.11725	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.4
59.01240	0.7
65.00202	1.5
69.65833	2.1
69.66129	0.4
81.03328	9.3
83.01267	1.3
83.04911	0.6
87.93755	0.4
89.74733	0.3
99.08030	0.9
101.05992	0.8
107.01267	1.9
112.91460	0.3
119.79440	0.4
122.03628	3.7
123.04391	0.5
123.08056	4.4
125.02339	9.7
125.05976	7.3
126.02659	0.4
139.03952	0.6
143.44313	0.4
149.02359	1.1
151.00276	2.5
165.09125	41.4
166.09444	2.1
191.07022	1.2
205.08714	0.7
209.08138	100.0
210.08492	6.7
233.08191	0.5
244.40984	0.4
251.09114	0.6
371.13641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
53.93239	2.5
55.01777	2.4
58.00483	4.0
59.01257	100.0
60.01605	2.1
71.01260	56.9
71.01660	2.8
72.99197	6.9
83.01270	2.8
85.02833	35.6
89.02328	66.1
93.03359	6.3
95.01279	3.7
98.19764	5.8
101.02340	28.7
113.02348	21.3
119.03399	30.0
121.02876	3.0
131.03442	2.9
135.04439	4.7
145.30667	1.9
173.04413	3.9
175.00063	2.4
179.05579	5.5
191.05643	11.9
191.07126	9.6
255.77524	2.1
282.78186	2.1
289.34952	2.5
353.62564	2.6
371.09879	2.1
371.13544	44.9
372.13599	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	371.171
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.01759	3.6
57.03319	2.5
58.00466	2.2
59.01253	60.4
67.53383	0.8
70.76380	1.4
70.76711	0.7
71.01254	36.4
72.99185	3.4
73.02814	7.8
83.00826	1.1
83.01250	5.8
85.02826	13.6
87.00761	3.0
89.02319	36.1
90.02658	0.9
95.01261	2.9
96.95906	1.3
99.00761	2.5
101.02328	34.3
113.02328	16.8
114.02646	1.0
119.03391	18.4
123.08125	0.9
131.03400	1.6
139.11191	0.8
143.03459	1.9
149.04422	1.7
161.04474	1.9
167.28555	0.8
171.10172	1.8
179.05481	1.3
185.11777	1.3
191.05540	2.9
191.10869	1.0
209.11847	1.2
227.55206	0.8
247.75002	0.8
341.23291	2.4
356.12610	0.9
357.08575	1.0
370.83160	0.9
371.17126	100.0
371.24185	29.6
372.17480	11.9
372.24847	3.0
394.17886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01529	0.7
55.01762	6.8
57.03323	8.6
58.00469	1.2
58.83016	0.8
59.01254	56.3
60.01587	1.0
60.61166	0.8
62.46583	0.9
71.01255	100.0
72.01570	2.2
72.99179	4.3
73.02821	28.9
75.00740	1.8
81.03326	1.1
83.01256	14.6
85.02827	41.2
87.00737	4.6
89.02320	30.5
93.03333	1.4
94.19798	0.8
95.01255	7.9
96.95905	1.2
97.02833	1.7
99.00762	13.7
101.02328	80.1
102.02679	2.2
109.02833	1.6
111.00776	1.3
113.02332	44.8
119.03398	12.2
125.02363	3.5
129.01878	1.3
131.03346	1.2
135.04382	1.8
137.09612	1.3
141.75377	1.0
143.03430	4.4
151.90164	0.9
159.02908	8.8
161.04468	48.2
162.04774	1.3
191.05563	7.0
192.38377	0.9
205.03398	2.8
209.08090	1.5
209.15407	12.1
229.01447	0.9
248.84418	1.0
297.75046	1.0
331.79599	1.1
371.10498	1.4
371.17087	2.2
371.20728	32.3
371.24408	2.5
372.20972	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	371.244
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
50.13642	0.3
53.72008	0.2
53.87447	0.3
57.03312	1.0
58.00455	0.3
59.01257	1.8
69.03334	0.3
69.76270	1.5
71.01257	0.4
73.02835	1.6
78.13773	0.2
83.04890	0.4
85.02837	0.4
87.04375	0.7
90.22977	0.3
95.04932	0.3
95.80245	0.3
96.95889	1.3
97.06451	1.0
98.19750	0.4
120.35195	0.3
121.88871	0.3
123.08060	1.2
125.09630	3.1
126.09985	0.3
127.11158	0.4
129.46388	0.3
135.04474	0.3
137.09622	0.8
139.07571	0.4
139.11179	1.2
141.09100	0.7
141.12740	1.3
143.10672	0.7
151.11256	0.7
153.09073	0.7
155.10692	0.7
162.53264	0.3
166.29395	0.3
167.10640	0.4
169.12207	0.4
171.08755	0.6
171.10188	11.6
171.11659	0.7
172.10622	0.7
185.11766	2.2
188.44991	0.4
191.05569	1.3
197.11723	0.3
200.10461	0.6
209.06177	0.5
209.08191	0.5
213.11288	0.3
215.12892	0.6
227.12737	0.5
228.13617	0.7
311.22253	0.9
323.22275	0.8
325.60422	0.3
341.23297	7.7
342.23618	1.0
353.23279	1.6
369.23114	1.4
371.24368	100.0
372.24701	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	371.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18908	0.3
53.03374	0.3
57.03315	1.3
59.01246	1.4
69.03313	0.5
71.01274	0.4
71.04879	0.6
71.25918	0.3
73.02821	1.3
83.04887	0.5
85.02839	0.4
87.04376	0.7
90.45045	0.3
95.04910	1.4
97.06477	7.6
108.43404	0.3
111.08064	0.3
115.07569	0.6
123.08038	1.1
125.05978	0.7
125.09628	2.1
127.11149	0.5
135.04427	0.3
137.09547	0.5
139.07512	0.8
139.11241	1.7
141.09096	0.6
141.12711	0.6
143.07140	0.4
151.11165	0.6
153.09151	0.7
155.10663	0.6
157.08603	1.4
157.12273	0.6
171.10196	4.2
185.11768	7.8
186.12042	0.5
189.12701	0.4
191.05583	1.5
197.15361	0.4
200.10712	0.4
203.44337	0.4
213.11292	0.7
214.12076	1.0
215.12868	1.3
243.16008	1.4
255.15988	0.3
311.22348	1.2
323.22318	0.8
341.23315	6.9
342.23676	0.7
353.23401	3.1
354.23734	0.5
369.22729	0.7
371.24377	100.0
372.24704	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2441
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
52.12136	0.3
55.74157	0.2
57.03325	0.8
59.01258	1.4
69.03334	0.3
70.87450	0.4
71.01241	0.5
73.02835	1.1
76.88538	0.3
83.04919	0.3
85.02834	0.6
87.04394	0.8
95.04904	1.2
96.95915	0.6
97.06473	6.1
113.05960	0.3
115.07536	0.4
123.08026	1.3
125.05957	0.5
125.09602	2.3
127.11200	0.5
135.04414	0.4
137.09625	0.8
139.07564	0.8
139.11212	1.6
141.09052	0.5
141.12764	0.8
143.10689	0.4
153.09164	0.4
155.10710	0.6
157.08647	0.7
157.12259	0.3
160.42889	0.3
171.10197	5.1
172.10651	0.3
185.11781	7.3
185.13434	0.4
191.05576	1.4
197.15427	0.5
209.07968	0.3
213.11313	0.8
214.12025	1.2
215.12909	1.3
225.32782	0.3
225.34923	0.4
241.14386	0.3
243.15939	1.5
255.16075	0.4
261.07608	0.3
311.22324	1.0
323.22406	0.8
327.21680	0.3
331.11166	0.3
341.23325	6.4
342.23630	0.8
353.23459	1.8
353.26993	0.3
369.22833	0.7
371.24396	100.0
372.24768	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	372.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.3
59.93541	9.4
63.02283	15.1
64.36449	10.9
65.00198	42.8
65.99731	13.0
71.54697	12.5
76.62099	11.4
83.01249	23.7
93.03374	13.0
95.01259	26.8
98.60780	11.6
99.00755	18.6
107.01273	44.9
109.02847	32.4
111.00752	31.0
121.02857	19.3
123.00771	34.4
124.01523	12.4
127.00227	12.0
134.02348	12.9
135.04372	13.7
136.98697	22.9
137.02335	30.2
139.00258	81.2
141.01813	17.3
146.02338	11.6
148.03957	14.2
149.02338	12.9
151.00290	87.7
152.01036	33.6
153.01595	27.8
154.99756	21.8
160.01428	12.8
161.02344	24.8
162.01950	17.0
164.01004	13.1
164.98248	39.3
165.01826	11.4
165.99051	14.9
166.99757	72.0
168.00511	21.8
169.01326	22.1
176.03476	10.8
176.27405	10.7
177.01918	37.4
178.99786	100.0
181.98456	12.3
189.01779	14.0
192.00650	12.4
192.97618	11.0
193.01372	14.8
194.99226	52.7
202.01282	19.0
206.99310	26.6
208.00093	33.0
209.00749	41.2
222.98769	14.0
227.03435	14.1
231.02818	13.0
236.01834	15.1
243.02986	25.4
255.02901	12.3
271.02313	23.9
287.01871	19.6
299.01953	21.8
315.01578	15.0
317.02798	18.3
327.01535	59.8
329.85257	12.5
332.01642	59.8
345.02634	27.1
354.02530	52.5
372.02716	80.9
372.07004	41.8
373.04492	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	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.41454	0.4
55.01756	3.4
55.67847	0.4
57.03325	2.6
58.00466	1.2
59.01253	26.4
68.26936	0.4
69.03316	0.8
69.08508	0.5
69.38108	3.2
71.01254	20.4
71.04857	0.6
71.08365	0.5
72.99159	0.9
73.02818	8.4
75.00732	0.6
83.01260	7.2
85.02829	11.8
85.99957	1.7
87.00748	1.1
89.02320	6.0
95.01241	1.7
96.95885	2.3
97.06470	1.4
99.00778	2.3
101.02326	18.9
111.00748	1.0
113.02341	5.1
119.03400	2.2
161.04424	0.8
169.12225	0.6
171.10185	1.4
185.11693	0.6
193.12244	0.6
201.11232	0.8
211.13223	0.8
214.80040	0.5
257.17566	2.2
313.23889	0.7
325.24222	0.6
343.24872	1.8
355.24979	1.5
371.24652	0.8
373.18680	100.0
373.25757	26.1
374.19019	12.5
374.26099	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	373.223
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01760	6.3
57.03328	5.9
58.00465	1.9
59.01252	37.9
65.92578	0.5
68.99690	0.6
69.03329	2.0
71.01255	100.0
71.54874	0.6
72.01575	1.9
72.99188	4.3
73.02818	30.4
74.03168	0.6
75.00755	1.9
75.52064	0.5
83.01256	13.9
84.02040	0.7
85.02825	45.3
85.99988	0.8
86.03181	1.2
87.00748	4.1
89.02319	18.3
90.02676	0.5
93.03329	0.5
95.01268	5.8
96.95907	0.8
97.02811	2.4
99.00756	16.4
101.02325	79.1
102.02676	1.2
106.06413	0.5
111.00776	0.8
113.02332	47.6
114.02654	1.3
119.03387	6.7
125.02334	3.1
127.09450	0.5
129.01851	2.4
131.03452	1.4
139.11162	1.3
143.03426	3.5
149.69179	0.5
159.02921	8.8
161.04468	41.6
162.04814	1.2
179.05547	0.8
205.03484	1.7
211.13393	1.4
211.16953	7.2
212.17351	0.7
230.14937	0.5
355.17801	0.6
373.18613	23.0
373.22498	4.5
374.18903	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
58.00465	0.7
59.01266	2.2
63.42164	0.2
66.92558	0.2
69.03349	0.3
69.40662	1.8
71.01263	1.0
71.04906	0.7
73.02835	1.1
83.01270	0.4
83.04925	0.3
85.02811	0.7
87.04402	0.9
87.16494	0.2
89.02360	0.3
97.06470	1.2
101.02311	0.6
106.11012	0.3
107.08554	0.3
113.02374	0.5
121.10126	1.4
123.08069	0.4
125.09633	1.3
127.11180	0.3
137.09642	0.5
139.11185	1.1
141.12753	0.6
151.11203	0.5
153.09142	0.4
153.12849	0.2
155.10681	0.5
157.12270	1.0
169.12282	4.0
171.10204	4.4
185.11784	3.4
197.11838	1.5
209.54665	0.2
213.11266	0.5
214.12048	0.3
215.12856	7.2
216.13196	0.5
218.48137	0.2
242.68127	0.2
265.18271	0.4
285.20822	1.7
307.22772	0.3
309.23911	0.2
311.22189	0.5
313.24002	1.8
323.22339	0.4
325.23923	3.1
326.24283	0.3
337.23782	0.4
341.23438	0.9
343.01175	0.2
343.24915	9.4
343.29193	0.5
344.25351	1.2
353.23212	0.3
355.24921	2.7
356.25281	0.4
371.24338	1.0
373.18460	3.3
373.25967	100.0
374.26315	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	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.67039	0.2
57.03330	1.1
58.00455	1.0
59.01251	0.4
69.03333	0.3
70.41276	0.6
71.04890	0.6
73.02818	0.8
83.04906	0.4
85.02803	0.2
87.04383	0.7
95.04948	0.2
97.06477	0.9
98.20425	0.3
111.04382	0.3
121.10136	1.2
123.08020	0.6
125.09615	2.4
127.11190	1.0
135.17532	0.2
137.09579	0.8
139.11209	0.9
141.09122	0.4
141.12759	1.0
143.10683	0.5
151.11159	0.4
153.09132	0.4
155.10687	1.0
157.12241	1.2
167.39162	0.2
169.12265	2.6
171.10188	4.7
185.11763	2.8
187.13139	0.2
197.11807	0.8
201.11267	1.3
213.11214	0.4
215.12854	5.8
216.13153	0.5
313.23846	1.4
325.23715	1.1
327.25494	0.2
337.23859	0.4
341.23358	0.8
343.24890	9.2
344.25232	0.9
353.23553	0.3
355.24936	2.7
356.25430	0.4
371.24350	1.3
372.24902	0.3
373.25934	100.0
374.26300	14.2
390.43704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.38389	0.3
52.95381	0.4
56.71071	0.3
57.03313	0.9
58.00472	0.7
59.01256	0.7
67.71817	0.4
73.02823	0.9
76.08666	0.4
86.33332	0.4
87.04373	1.0
90.07093	0.4
91.62346	0.4
96.95891	1.7
97.06467	0.7
98.20550	1.0
121.10145	1.1
125.09631	1.3
127.11222	0.8
137.09631	0.9
139.11201	1.7
141.12737	1.0
155.10686	0.9
157.12260	1.3
165.01797	0.5
169.12225	1.3
171.10208	2.3
179.85869	0.4
185.11807	2.4
197.11763	0.4
201.11215	2.2
213.87248	0.4
215.12868	7.0
229.24188	0.4
231.93535	0.4
257.24405	0.4
288.41476	0.5
307.22693	0.6
313.23962	1.7
325.23947	2.1
337.23868	0.6
341.23376	1.2
343.24908	9.8
344.25110	1.2
347.46283	0.4
355.24896	3.2
371.24457	1.6
373.25967	100.0
374.26312	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	374.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
61.98707	0.3
71.21056	0.5
71.35569	0.2
92.35645	0.2
101.05977	1.0
119.21516	0.2
121.59288	0.2
124.07606	0.6
135.04463	0.4
165.10332	0.3
166.04851	0.2
166.72667	0.2
184.12648	0.2
189.10252	0.5
217.00272	0.6
232.10887	10.9
233.11256	0.6
235.64645	0.2
260.10529	0.2
272.17609	0.2
276.09723	0.3
289.17938	1.6
290.18713	2.9
291.19159	0.3
316.16721	1.5
317.17145	0.3
338.34833	0.2
341.08450	0.2
358.21478	1.2
374.24481	100.0
375.06735	0.2
375.24802	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62491	0.9
55.01765	1.4
55.65043	0.9
57.03315	3.9
58.00467	2.0
59.01251	32.4
64.89969	0.9
69.03325	0.9
71.01254	28.9
71.04887	2.0
71.41186	1.3
72.99196	1.6
73.02814	4.9
85.02840	6.3
89.02314	18.6
94.04092	1.1
95.01260	2.3
95.04900	6.6
97.06464	3.8
98.03629	6.3
99.00786	1.2
101.02329	13.0
107.04931	7.6
113.02319	10.5
119.03417	7.1
131.03400	1.0
133.05014	1.4
136.53784	1.1
143.03329	0.9
145.02800	1.3
147.04352	1.4
149.09628	3.5
151.11194	82.4
152.11523	4.3
154.09920	1.7
155.10692	1.3
161.04373	1.1
163.03943	1.5
169.12256	13.4
179.05495	1.7
195.10207	100.0
196.10512	4.2
217.14481	1.1
246.08868	1.1
257.17538	1.2
269.21320	1.2
329.23138	1.3
357.26553	2.6
373.25818	2.3
375.27484	57.2
376.27841	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88412	0.9
59.01247	6.7
61.48645	0.9
71.01257	11.7
71.54160	1.0
92.57814	0.8
94.19556	0.9
127.07548	1.8
135.04449	1.6
177.09134	5.0
190.09917	1.3
192.11481	7.3
205.12244	3.3
207.13855	2.3
218.09366	2.4
220.14639	38.8
220.16800	1.8
221.15414	99.0
222.15791	8.8
222.30609	0.9
225.25188	0.9
235.13358	2.1
236.10507	100.0
237.10852	8.1
253.14285	0.9
293.17584	37.3
294.17883	5.3
318.09671	3.0
321.15646	1.8
375.06903	1.9
375.17926	6.1
376.18231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98962	2.1
75.96104	0.3
86.51563	0.4
93.00037	1.6
135.93153	0.4
149.00893	0.9
159.01035	0.3
159.08394	10.3
160.08543	0.8
161.06302	2.8
192.97975	0.6
206.99510	0.4
209.01268	2.7
217.07195	1.3
261.04471	0.4
275.05969	0.6
277.07584	2.6
289.07480	1.9
290.07352	0.5
291.09137	98.4
292.09271	14.7
297.83899	0.4
309.10153	2.2
309.45618	0.4
316.40973	0.3
357.13910	2.0
358.13852	0.4
359.15381	100.0
360.15527	19.4
360.20160	0.5
375.14252	0.6
375.18555	6.8
376.18713	1.7
377.16406	0.9
378.16489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56020	1.5
55.61603	1.5
58.16487	1.8
59.11953	1.5
71.70074	1.8
95.88969	1.8
95.89632	1.8
151.58740	1.6
155.82532	2.1
159.08374	11.4
189.17221	1.7
206.06183	1.8
277.07495	2.4
289.36148	1.8
291.09100	93.8
292.09277	14.0
318.55750	1.9
331.46478	1.8
341.38165	1.8
359.15338	100.0
360.15469	17.4
375.18494	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	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
58.00467	0.6
59.01239	0.4
69.03310	0.4
70.40652	0.2
70.40993	0.4
70.92310	0.2
71.01245	0.5
71.76682	0.1
73.02810	0.6
74.58736	0.2
85.02846	0.2
87.04379	0.4
95.59654	0.2
97.06487	0.3
100.59985	0.2
101.02309	0.5
109.06560	0.2
111.08041	0.2
111.42636	0.1
113.09599	0.2
123.08038	0.8
125.09604	1.3
127.11227	1.0
137.09615	0.7
139.11163	0.4
141.09111	0.3
141.12724	0.3
143.10625	0.8
149.09619	0.4
153.09180	0.4
155.10693	1.1
157.12231	0.8
161.52135	0.2
169.12265	0.4
171.10208	1.6
171.13658	0.2
185.11755	1.0
196.25720	0.2
200.45610	0.2
201.11247	1.2
201.80534	0.2
215.12851	0.6
215.15990	0.2
249.35861	0.2
251.20183	0.4
293.21338	0.4
311.22293	0.7
327.21774	0.4
327.25494	0.4
329.23303	2.6
330.23724	0.3
339.25360	0.7
355.24759	0.2
357.26450	4.6
358.26770	0.7
373.25992	3.1
374.26273	0.3
375.27499	100.0
376.27853	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15732	0.2
57.03330	1.4
58.00461	0.6
59.01254	0.9
68.61690	0.2
69.03331	0.6
70.68226	0.3
70.68562	0.4
71.04856	0.2
73.02814	0.9
87.04383	0.4
87.62030	0.2
96.95892	0.4
97.06484	0.4
110.19647	0.2
111.08058	0.2
113.09563	0.2
116.77541	0.2
123.08056	0.9
125.09623	1.5
127.11179	1.5
135.04324	0.2
137.09622	0.9
139.11171	0.5
143.10664	1.0
149.09631	0.7
153.09149	0.3
155.10684	1.0
157.12222	0.5
169.12247	1.0
171.10197	2.0
185.11842	0.9
201.11241	1.3
217.00267	0.3
248.65520	0.2
251.20189	0.4
293.21271	0.3
311.22388	0.6
327.21872	0.3
327.25415	0.3
329.23346	2.2
339.25415	0.8
355.24756	0.5
357.26401	4.7
358.27151	0.2
373.25970	2.1
375.27502	100.0
376.27832	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	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95470	4.0
59.01255	27.5
70.68136	6.3
70.68455	7.1
71.01250	29.7
73.02817	4.8
85.02756	4.0
87.00773	5.7
89.02316	35.7
99.00778	5.5
101.02345	19.5
113.02338	16.5
119.03409	16.0
121.21628	3.5
125.02314	6.7
130.97676	4.2
131.01175	4.1
143.03346	4.3
159.02975	6.1
161.04466	10.6
179.04153	4.4
179.05547	32.5
215.03206	4.6
341.10873	100.0
342.11398	8.6
377.08679	65.7
378.09247	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	377.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34453	3.0
52.84486	2.4
57.03315	2.7
58.00462	3.1
59.01254	88.6
61.49965	2.6
69.03345	2.9
69.30904	12.1
69.31329	8.9
71.01257	57.3
72.99190	12.1
73.02824	87.5
76.08211	2.9
83.01233	4.0
84.27717	3.2
85.02830	13.4
87.00783	7.8
87.04412	3.3
89.02325	66.0
91.05434	6.1
93.03331	9.0
95.01287	6.0
95.04931	3.7
97.06467	9.4
101.02338	30.4
107.04920	13.4
108.02084	3.8
109.02853	6.5
109.06435	2.9
111.04411	5.4
113.02340	29.9
117.08279	2.7
119.03419	33.2
119.04921	100.0
120.05257	6.1
121.02844	6.5
123.04414	5.1
131.03445	5.8
135.04425	38.5
135.08051	3.9
136.05190	9.6
137.02371	4.7
141.05486	8.7
147.04449	18.5
149.02347	4.3
149.04492	2.7
151.03888	7.4
153.05492	7.5
153.09152	31.2
161.04482	6.4
163.03874	17.1
165.04030	9.6
167.03458	4.8
171.10207	36.3
172.68967	2.8
179.03543	3.0
179.05563	8.8
197.04562	10.1
197.08128	34.4
201.72220	2.9
215.09213	94.9
216.09589	4.8
236.91373	3.2
254.57742	3.7
257.10260	12.9
258.10669	2.9
290.70990	2.6
377.14557	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	377.1455
Annotation	Lamiol
Peak:m/z	Relative Intensity
50.85683	0.5
51.43890	0.5
54.58136	0.6
55.01745	1.0
59.01254	2.8
70.04506	2.5
71.01262	1.9
73.02820	76.4
74.03146	0.9
85.02833	2.2
87.04392	8.6
97.02814	1.0
98.19828	1.2
101.02326	1.2
113.02354	2.2
115.03871	1.3
115.35207	0.5
117.01838	0.7
141.05484	0.8
153.09120	1.6
171.10185	100.0
172.10527	4.5
183.06531	0.9
197.08064	1.3
215.09196	39.8
216.09569	1.9
229.10849	0.8
257.10339	7.5
326.20734	0.6
377.18237	0.8
378.18878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.01758	1.9
56.51682	0.5
57.03334	1.3
59.01254	17.3
69.60196	2.7
71.01257	8.6
72.99190	0.6
73.02821	100.0
74.03165	1.4
77.17585	0.6
79.05400	4.8
85.02834	2.5
87.00752	0.7
89.02314	6.4
89.56675	0.7
95.04910	4.4
97.02802	0.7
97.06478	8.8
98.19810	1.3
101.02324	3.5
107.08559	0.7
113.02344	3.7
114.18848	0.6
119.03394	1.9
123.04395	1.6
135.08058	5.6
141.03816	0.8
141.05486	18.0
141.09082	1.1
142.05858	0.9
144.18030	0.6
153.09120	30.8
154.09462	0.7
171.10182	27.2
172.10551	1.3
179.07047	0.6
197.08139	9.3
215.09200	91.1
216.09547	5.4
232.35519	0.7
257.10324	3.6
377.14523	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	378.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.5
60.59574	1.5
61.98705	100.0
62.09814	1.2
71.01242	5.5
90.07018	1.5
97.90752	1.3
101.97974	6.0
124.80470	1.3
155.99060	3.9
177.09100	1.7
192.11525	4.5
205.12267	4.0
218.09415	3.5
220.14645	39.1
221.15424	60.0
222.15776	3.6
231.17456	3.2
236.10522	48.9
237.10834	4.2
275.16528	5.7
293.17609	11.4
305.12366	3.4
306.13327	2.3
321.07373	1.7
360.14093	7.5
378.15329	49.0
379.15585	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17894	0.6
55.01788	0.7
59.01250	6.2
71.01252	3.9
71.33653	0.7
73.02817	27.2
85.02827	1.8
87.04417	0.8
89.02335	3.0
97.06470	7.6
99.08038	0.9
101.02348	2.1
102.40083	0.7
113.02341	3.0
117.01925	0.6
119.03378	1.0
125.05978	14.3
126.06314	1.3
137.09598	1.1
138.59393	0.6
143.07045	100.0
144.07411	4.6
147.30682	0.6
155.10687	70.6
156.11024	4.8
179.05550	1.4
199.09711	8.2
203.82433	0.6
217.10774	86.0
218.11154	6.1
231.69264	0.6
247.51575	0.7
259.11896	2.7
297.51556	0.6
379.15970	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.6
59.01258	1.9
69.38673	3.1
71.01247	1.2
71.92918	0.4
72.38756	0.4
73.02816	13.5
85.02771	0.4
89.02315	2.0
97.06479	4.2
99.08041	0.8
101.02303	0.7
113.02325	1.3
119.03352	0.9
125.05981	7.1
137.09576	0.4
143.07047	48.6
144.07349	2.0
155.10687	51.9
156.11009	3.4
179.05496	0.7
199.09718	6.8
217.10768	100.0
218.11089	5.8
259.11880	4.0
287.07181	0.5
294.68848	0.4
319.14102	0.6
379.16138	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25111	0.4
59.01233	1.6
62.15805	0.4
70.84519	1.0
71.01251	1.3
73.02449	0.3
73.02814	8.4
81.51850	0.4
85.02812	0.6
89.02314	1.6
91.37201	0.4
94.68391	0.4
95.94125	0.4
97.06477	2.2
101.02322	1.1
113.02310	1.5
119.03382	0.9
125.05971	3.7
129.30086	0.4
137.09561	0.6
143.07040	37.1
144.07350	1.4
155.10680	37.8
156.10991	2.3
199.09688	5.5
217.10754	100.0
218.11124	6.7
259.11835	3.5
265.89288	0.5
354.78088	0.4
379.16019	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	379.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77188	0.5
52.91729	0.6
56.15118	0.5
58.57851	0.5
59.01245	2.1
61.98714	1.1
71.04899	1.3
71.54248	0.8
83.04875	0.7
96.95896	0.9
97.06453	0.9
101.47946	0.6
105.15165	0.5
111.04427	1.3
113.02280	0.7
116.64018	0.6
121.10173	1.2
139.07564	0.9
155.79597	0.7
175.07903	0.6
192.10512	0.6
197.13339	0.9
199.14825	0.9
223.15018	0.8
295.20624	1.6
309.22388	0.8
319.24350	5.7
320.24670	0.8
335.27127	0.7
363.23309	21.9
364.23767	3.7
375.23572	1.2
377.24994	4.1
379.26422	100.0
380.26730	15.1
393.24329	6.5
394.24701	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	380.9926
Annotation	Tricetin 3'-sulfate
Peak:m/z	Relative Intensity
59.01261	1.5
63.02271	0.4
65.00203	0.5
68.53671	0.3
68.74303	0.3
69.95892	0.3
71.54330	0.4
83.01274	0.9
85.59411	0.3
93.03330	0.4
94.31174	0.3
96.95894	1.4
107.01264	2.3
109.02852	1.7
113.44025	0.3
115.91074	0.3
121.02846	1.3
139.03943	0.4
144.35577	0.3
149.02383	0.9
151.00299	6.9
159.04343	0.4
161.02324	0.4
162.60739	0.3
163.00276	0.9
169.01335	0.4
173.06041	0.6
178.99779	2.2
179.23914	0.3
183.04561	0.4
185.05986	0.7
199.03877	0.4
201.05475	0.5
211.04010	0.6
212.88535	0.3
227.03497	1.1
245.04608	0.3
255.03043	1.5
262.08450	0.3
273.04340	0.4
284.03186	0.4
301.03552	100.0
302.03882	8.5
354.64743	0.3
380.99243	5.3
381.15735	0.7
381.99551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98316	10.3
59.01242	38.8
71.01247	22.7
71.54401	12.4
78.95755	13.1
89.02264	10.8
91.73653	10.2
93.03322	12.7
96.95876	50.1
99.00762	13.2
101.02336	10.2
127.00258	100.0
191.05511	18.3
219.01811	12.3
235.88313	10.7
256.90842	9.7
301.03455	17.1
376.67096	11.0
381.13065	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	4.9
57.03317	3.8
58.00475	2.3
59.01256	32.1
69.03333	0.8
70.55945	1.0
70.56281	1.9
71.01260	55.7
71.25977	0.9
72.99178	3.3
73.02827	30.6
75.00759	2.6
81.03349	1.1
83.01268	13.9
85.02831	32.2
85.99959	1.1
87.00746	5.9
89.02319	10.5
95.01270	3.8
96.95914	0.9
97.02840	2.5
99.00777	12.3
101.02335	60.9
107.04883	1.3
109.02850	1.0
111.00756	2.8
113.02341	22.4
115.03915	1.9
119.03414	1.4
125.02335	3.5
129.01859	2.1
131.03372	2.4
140.05000	0.9
143.03391	2.3
149.04504	1.0
158.06007	1.5
159.02892	4.8
161.04468	20.1
191.05568	6.6
192.05878	1.7
205.03423	1.2
224.70192	1.0
233.06677	1.5
241.87906	0.9
249.13429	100.0
250.13797	6.5
293.08813	1.0
293.12405	1.4
339.85641	1.0
381.17685	78.7
382.17975	8.5
383.74765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21088	1.5
55.84563	1.4
57.03333	1.5
59.01250	9.6
65.22989	1.5
69.30964	5.6
69.31393	5.5
71.01247	10.5
72.99178	3.2
73.02818	2.2
75.00750	18.4
78.03951	1.4
85.02818	6.3
87.00755	18.2
89.02303	5.2
93.03362	2.2
98.02344	3.5
98.19860	3.5
101.02322	5.2
113.02310	3.8
115.05423	5.3
116.04987	2.0
121.02840	3.7
125.02325	11.6
130.06509	6.0
132.04457	25.9
133.02847	4.7
134.05984	1.6
136.05174	2.7
136.53140	1.4
137.02370	2.2
139.03845	1.7
147.04387	2.0
149.02341	3.5
150.03178	12.0
151.00215	2.3
153.01910	2.1
158.06029	100.0
159.06314	5.9
163.03940	2.5
165.05525	3.8
173.04533	3.4
174.05592	3.6
175.03909	2.2
177.01842	4.7
191.05548	20.4
194.02029	1.7
202.05045	40.1
203.05403	3.2
208.03732	2.2
209.04488	14.0
217.05009	2.3
220.06108	9.4
237.06111	10.0
249.06114	8.8
285.04056	8.2
303.05136	10.1
382.11429	52.1
382.16287	2.9
383.01053	2.3
383.11749	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	383.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	7.0
59.01251	4.7
59.78247	1.3
65.00219	1.6
69.41687	7.6
71.01255	2.7
72.99195	2.1
83.01257	7.1
84.16541	1.2
85.02834	2.6
87.00758	1.3
89.02357	2.5
93.03320	1.8
95.01288	1.3
96.95914	2.3
101.02320	2.2
103.48147	1.2
107.01283	3.6
109.02811	1.8
113.02313	1.4
117.02995	1.1
121.02850	1.4
123.04400	4.2
124.01574	1.6
125.02343	100.0
126.02668	2.7
127.00240	2.5
137.02348	3.0
139.00276	2.3
147.04498	1.8
149.02345	5.0
150.03197	2.4
151.00296	13.4
151.03941	5.8
152.01096	7.0
153.01851	12.7
173.04570	2.5
174.03137	2.2
175.03957	21.1
177.01863	20.9
178.99803	11.9
181.01358	2.4
188.04742	2.7
189.05489	4.0
191.03886	1.2
191.05521	7.8
199.03978	9.0
200.04393	1.3
201.01884	4.7
213.05502	1.8
217.05011	11.1
218.05270	1.4
231.06741	1.9
241.05048	8.5
259.06229	3.9
275.05618	6.7
285.04068	64.4
286.04395	6.5
303.05115	81.0
304.05576	8.0
323.09985	1.5
341.10822	2.6
373.35925	1.3
383.00769	37.4
383.05637	2.4
384.01154	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	383.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.3
60.13528	0.6
63.02287	1.0
65.00209	3.2
71.31091	1.0
71.43735	0.6
81.03316	0.9
82.02873	0.7
83.01262	5.6
91.76325	0.7
93.03348	1.3
95.01273	1.3
105.03391	0.8
107.01251	4.0
109.02867	3.8
111.00782	0.9
121.02853	2.0
123.04404	6.2
124.01570	2.2
125.02338	100.0
126.02671	2.6
137.02359	2.6
138.97630	0.6
139.03922	2.0
147.04433	1.3
149.02354	5.8
150.03157	4.4
151.00269	13.7
151.03893	6.4
152.01067	9.2
153.01852	14.4
155.01199	0.7
161.02328	1.3
161.06015	1.5
163.00264	0.6
171.04553	1.1
173.02380	0.7
173.06042	0.9
174.03137	2.7
175.03932	18.1
176.04280	1.6
177.01863	19.3
178.02202	1.4
178.99799	11.0
181.01335	3.5
188.04732	1.5
189.05489	5.1
191.03459	1.4
193.05038	2.5
197.05916	0.8
199.03957	9.9
201.01868	2.7
213.05554	1.6
215.03355	0.8
215.07219	0.8
216.04266	2.0
217.05013	9.2
219.03058	0.7
231.06682	1.5
235.06049	0.7
241.05060	8.9
242.02162	0.8
242.05489	0.8
243.02951	1.7
257.04639	1.5
259.06058	4.1
262.98483	0.7
275.05606	5.3
285.04044	71.1
286.04398	6.1
303.05099	86.4
304.05414	7.0
383.00778	19.9
384.01093	2.3
390.08099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0775
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01261	13.0
61.98701	1.4
69.77431	1.7
69.77826	3.1
71.01237	4.2
73.02818	1.6
75.00759	1.3
78.95775	1.3
83.01283	1.9
84.39708	1.0
85.02795	2.4
87.00750	2.1
89.02317	3.8
95.32926	1.1
101.02320	2.4
113.02345	3.9
119.03365	1.3
121.02859	100.0
122.03175	3.8
138.92065	1.3
147.04405	1.4
149.02321	2.0
161.04439	2.5
169.91380	1.3
179.05565	1.6
181.06476	5.6
191.03435	9.5
225.05573	7.0
251.07080	4.4
295.06165	12.4
311.09210	12.8
312.09601	2.2
313.07251	17.8
314.07687	1.9
323.09760	3.0
339.08752	15.6
340.09076	1.5
341.10812	5.2
349.30026	1.1
383.07755	23.0
384.08206	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	383.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05783	0.9
50.11480	1.2
58.07042	1.0
59.01240	3.2
68.04164	1.1
70.94810	1.8
85.02840	10.0
87.00730	2.3
89.02325	2.0
93.03316	3.2
101.02306	2.8
109.02782	1.4
119.03403	1.2
127.03853	1.6
137.02391	1.4
173.04446	1.5
191.05536	100.0
192.05911	5.0
274.04767	1.1
330.91321	1.2
361.57553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
59.01249	7.6
71.01248	7.0
71.53791	2.1
81.03357	3.0
83.01278	2.8
85.02374	1.9
85.02826	9.7
87.00755	13.4
89.02289	1.8
92.04858	2.0
93.03358	13.4
96.95888	1.9
101.02313	3.1
105.03330	4.9
109.02843	5.6
111.00792	2.0
111.04402	5.0
113.02343	2.2
119.04955	8.8
121.02873	2.7
123.04416	2.1
124.01555	13.5
125.02348	29.8
127.03968	2.2
133.02856	33.5
134.03609	6.0
135.04427	2.9
137.02344	5.2
137.05902	2.3
139.03889	6.6
145.02846	6.9
146.02527	1.9
147.04405	2.3
149.02350	9.3
150.03143	70.6
151.03691	1.7
153.01823	6.3
155.03397	5.4
158.05991	4.8
159.06349	6.4
163.03902	8.7
165.01837	3.0
165.05492	19.7
173.04469	29.7
175.03931	4.1
177.01804	10.0
178.99771	2.0
190.99765	2.8
191.05537	96.3
192.05815	2.8
193.04971	6.7
194.02136	17.1
199.03877	2.5
202.05017	2.1
203.05415	4.7
209.04498	100.0
210.04840	5.0
217.04929	2.5
241.04948	2.6
285.04071	21.0
286.04285	5.0
303.05145	23.6
304.05438	2.8
367.10098	2.1
383.00696	5.9
383.10989	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44177	0.6
59.01245	1.8
60.99166	1.0
67.01762	3.5
71.01254	1.5
71.16656	1.0
72.99178	3.5
81.03342	1.8
83.01253	0.8
83.04897	1.1
85.02825	8.7
87.00744	6.9
87.89704	0.6
93.03334	25.7
94.03690	1.0
95.04906	2.2
96.54944	0.6
100.98681	1.0
105.03349	1.3
108.02028	0.8
109.02843	4.1
111.04390	4.2
120.68029	0.6
121.02840	8.7
123.00773	2.5
123.04432	1.6
124.01565	0.9
125.02351	1.3
127.03907	2.4
129.01819	1.2
135.04437	1.2
136.01552	1.8
137.02338	9.8
138.02910	0.6
139.03908	13.2
148.01570	1.3
149.02351	24.9
151.03931	1.7
153.01810	0.9
155.03400	0.9
159.23792	0.6
165.01836	4.1
167.03419	10.2
171.02948	0.9
173.04469	16.9
179.03404	0.7
191.05540	100.0
192.05920	4.9
192.99634	1.0
193.01349	24.3
194.01697	1.6
211.02383	4.1
243.24422	0.7
247.04491	1.5
272.38162	0.6
295.82907	0.6
319.90289	0.6
367.06674	2.4
385.07791	14.6
386.08160	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01243	2.0
60.99182	1.6
65.03847	0.6
67.01762	3.7
69.03313	1.6
71.01243	2.1
71.24801	0.5
72.99188	4.6
73.02824	0.8
73.65199	0.3
81.03330	1.4
83.04902	1.2
85.02829	10.3
87.00753	8.4
93.03339	30.1
94.03678	1.0
95.01308	0.9
95.04910	2.5
95.21799	0.3
97.02845	0.9
99.00740	1.2
99.04396	0.6
100.98680	0.8
102.56438	0.3
105.03365	2.7
107.04900	0.4
108.02058	1.0
108.31349	0.3
109.02848	4.9
111.00768	0.7
111.04421	5.6
113.02340	0.4
121.02843	11.6
123.00780	2.8
123.04376	1.8
124.01542	1.1
125.02344	1.5
127.03918	2.7
129.01836	1.1
135.04436	2.0
136.01587	1.6
137.02351	13.6
138.02847	0.4
139.03912	17.3
140.04253	0.4
148.01535	1.3
149.02353	26.0
150.02705	1.1
151.03896	1.4
153.01852	1.4
155.03404	1.0
164.01065	0.4
165.01849	6.0
166.02669	0.3
167.03423	9.0
171.02892	0.9
173.04482	16.5
174.04781	0.6
175.00311	0.6
178.62160	0.4
179.03421	0.8
191.05544	100.0
192.00600	0.5
192.05870	4.5
193.01352	23.1
194.01703	1.3
211.02484	3.0
223.04555	0.7
247.04585	1.8
367.06650	1.4
385.07703	10.0
386.08087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89563	0.4
59.01257	2.2
62.02264	0.4
69.44867	0.3
69.45198	2.8
70.50580	0.4
71.01243	0.8
71.77582	0.4
71.82188	0.4
72.99191	0.4
74.08911	0.4
75.00736	0.5
85.02812	1.1
86.82717	0.4
89.02338	0.8
93.03338	2.3
101.02310	0.6
109.02829	0.5
111.29859	0.4
113.02326	0.6
119.79981	0.4
121.02859	7.4
123.04401	0.6
125.02312	2.2
135.04420	4.4
136.01607	0.5
137.02354	1.2
149.02357	45.0
150.02696	2.3
151.03891	0.8
152.01068	8.9
163.03920	5.7
163.40466	0.4
164.04713	36.0
164.73004	0.4
165.01855	2.5
165.03917	0.4
165.05057	2.2
167.03421	1.8
169.04984	5.2
175.00325	0.6
175.03947	0.5
177.01912	0.4
179.03358	0.5
179.07069	12.4
180.04236	0.8
180.07375	0.5
190.02620	2.4
191.03438	0.3
191.03996	0.3
191.05536	2.5
193.01361	21.3
194.01639	0.6
205.05000	3.3
206.99382	0.4
208.03723	47.1
209.04062	2.5
223.06078	100.0
224.06453	6.8
265.07336	0.8
285.03958	0.8
303.05280	0.8
305.05853	0.5
385.11417	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
60.83601	1.0
68.50375	0.8
70.74447	1.6
72.99199	1.1
75.72811	0.8
77.03907	1.0
85.02841	2.1
87.00735	1.3
93.03335	4.4
109.02862	1.3
121.02827	10.0
125.02387	1.1
134.03540	1.1
135.04460	2.1
137.02347	2.4
139.03899	1.7
149.02357	69.6
150.02692	3.3
152.01031	3.1
163.03920	3.0
164.04710	77.3
165.01830	1.9
165.05066	4.5
167.03407	3.0
168.15938	1.0
169.05013	1.2
173.04486	3.4
177.01915	1.2
179.07074	28.4
180.07343	1.4
191.05563	14.3
193.01369	10.9
208.03734	26.0
209.04054	2.2
223.06088	100.0
224.06427	7.6
265.07227	1.4
333.40964	0.9
380.53342	1.0
385.07266	1.2
385.11554	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
55.32291	0.5
56.59636	0.6
56.62692	0.5
57.03317	0.6
58.00448	1.1
59.01254	22.8
59.81849	0.5
69.03333	0.6
70.94307	0.7
70.94624	0.6
71.01256	20.0
72.99183	2.1
73.02825	2.2
79.05396	1.3
83.01244	1.2
83.04893	1.0
85.02826	6.2
87.00748	1.1
89.02318	14.7
93.03320	0.8
95.01254	2.5
96.95893	1.6
97.06474	0.6
101.02324	9.5
104.97604	0.5
107.73595	0.6
109.06425	0.5
111.04400	1.3
112.91939	0.5
113.01601	1.1
113.02335	10.6
119.03376	4.6
120.05688	0.8
120.99558	0.8
121.06424	0.8
125.02316	1.0
126.64221	0.6
131.03435	0.5
133.10141	3.2
135.04361	0.9
135.10709	1.1
135.11693	14.8
143.03337	0.8
143.08577	1.1
146.07283	1.7
152.04701	0.8
156.57532	0.7
159.08049	1.8
159.11705	2.8
161.04474	1.2
161.09634	19.1
162.09961	1.1
163.11293	0.6
173.76233	0.5
175.11098	0.6
177.12755	1.6
179.05528	1.9
179.10698	100.0
180.11029	6.1
191.05563	1.7
193.12257	1.1
203.10709	6.6
205.08734	1.0
205.12263	2.2
221.11809	2.7
223.09717	46.9
224.10127	3.8
251.12923	0.6
265.10785	2.6
320.28366	0.7
385.14935	1.4
385.19174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13790	1.5
53.51702	1.6
55.01757	2.3
57.03315	1.9
59.01252	39.7
61.96524	1.4
66.03249	1.5
71.01254	24.9
72.99199	1.8
74.32838	1.6
85.02833	4.5
89.02314	22.3
95.01281	2.4
101.02332	8.6
111.04405	2.2
113.02340	13.3
119.03393	6.3
120.05678	3.2
133.10114	5.4
135.11703	15.8
141.07463	1.6
146.07289	4.3
159.08046	2.5
159.11655	3.2
161.09637	36.4
162.09933	2.8
179.10701	100.0
180.11018	5.8
200.71497	1.6
203.10754	12.6
221.11703	2.1
223.09714	58.9
224.09991	5.3
265.10797	2.5
318.17322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08210	2.2
59.01248	31.7
68.11889	1.7
71.01254	15.9
85.02846	5.0
85.61835	1.9
88.28832	1.9
89.02306	15.0
91.20967	1.9
95.01233	2.4
101.02325	10.0
113.02325	17.3
117.64994	1.8
119.03363	4.5
119.98944	1.9
135.11696	18.7
143.03409	2.4
148.80038	2.1
159.11656	3.3
161.09630	25.1
164.88425	1.9
177.12730	3.6
179.05585	3.0
179.10699	100.0
180.11021	6.0
191.05576	4.8
199.18332	1.8
203.10710	10.4
205.08347	2.1
221.11732	2.8
223.09688	42.2
224.10071	3.8
248.07402	2.3
260.07697	2.0
265.10590	3.9
289.37933	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.0
57.03336	3.1
59.01252	68.6
69.04736	2.3
69.65865	13.9
71.01249	38.0
72.99182	2.5
73.02843	2.6
79.05418	2.2
85.02831	11.0
89.02316	24.9
95.01262	5.1
101.02306	11.9
111.04436	3.6
113.02328	19.2
119.03397	6.8
120.05714	7.4
121.90556	2.4
133.10095	7.3
135.11696	21.0
141.04713	2.3
141.99850	2.5
146.07271	6.2
146.54187	2.4
153.20744	2.3
159.11717	4.0
161.09616	44.3
162.09895	4.0
177.12852	3.1
179.10701	100.0
180.11050	7.7
203.10750	10.5
212.35588	2.2
221.11783	5.0
223.09723	50.7
224.09949	5.7
224.68546	2.1
229.23378	2.3
265.10812	4.0
293.51041	3.5
296.69540	2.6
312.55579	2.2
319.36948	2.8
331.08395	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13149	0.7
55.01775	0.7
59.01254	10.9
62.82645	0.9
67.63264	0.7
71.01257	6.3
72.81689	0.9
73.02815	2.9
79.31348	0.7
85.02835	3.1
89.02313	3.4
95.01258	1.1
96.32435	0.8
97.02817	1.3
101.02336	3.1
109.06435	1.1
113.02323	5.4
119.03409	1.7
120.05685	1.2
125.05989	1.7
133.10110	1.6
135.11700	17.1
158.65550	0.8
159.08078	1.7
159.11728	2.6
161.09644	9.7
175.11269	1.0
177.12781	2.0
179.10701	100.0
180.11070	6.7
187.67450	0.9
193.12454	0.9
203.10710	3.4
205.08612	1.6
221.11806	2.0
223.09717	56.0
224.10051	4.9
265.10892	4.0
278.80692	0.8
349.80984	0.8
385.14761	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01255	17.4
64.40129	1.2
65.22681	1.2
68.02357	1.0
69.33205	6.7
69.33615	1.6
71.01250	10.7
83.04903	1.3
85.02829	3.0
89.02334	10.1
92.05735	1.1
95.01313	1.1
95.04900	1.1
97.02798	1.7
101.02338	8.1
109.36607	1.0
111.04445	1.2
113.02352	9.2
119.03399	3.5
120.05654	1.3
133.10165	1.5
135.11708	17.3
151.62267	1.2
159.08116	1.3
159.11700	4.7
161.04495	2.1
161.09653	20.4
165.01807	1.4
179.10710	100.0
180.11015	4.2
203.10760	11.0
205.08990	1.2
221.11761	3.0
223.09727	55.8
224.09988	4.1
242.73889	1.1
265.10861	3.6
308.62067	1.1
385.14880	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82956	0.8
52.71020	0.7
55.01762	1.1
57.03314	2.2
58.00456	1.7
58.92826	0.8
59.01253	38.8
60.01582	0.8
69.03347	1.1
71.01256	34.2
71.54729	1.0
72.69120	0.8
72.99184	2.9
73.02836	4.9
75.00727	1.1
79.05453	1.3
83.01267	1.6
83.04908	1.8
85.02831	9.3
87.00734	3.9
89.02320	26.2
95.01267	2.9
96.31866	0.8
96.95902	2.0
97.02863	1.4
97.06475	0.9
99.00753	1.1
101.02331	15.8
101.02988	1.1
105.06959	0.9
107.08503	0.9
109.06489	1.4
111.04417	1.8
113.02335	17.0
113.05965	1.2
119.03382	8.2
120.05676	2.1
125.05970	1.1
126.68530	0.8
131.03421	1.2
133.10115	4.1
135.11681	16.8
137.09612	1.0
143.03430	1.7
143.08556	1.5
146.07272	2.7
149.09590	1.4
152.04707	1.0
159.08055	2.4
159.11713	3.4
161.04483	3.8
161.09633	27.7
162.09958	1.5
165.09085	1.5
175.11171	1.3
177.12749	2.3
179.05556	2.6
179.10703	100.0
180.11046	5.4
187.11235	4.1
191.05579	1.3
193.12262	1.2
203.10725	9.0
204.11343	1.7
205.12289	5.9
221.11761	3.1
223.09720	62.0
224.09999	3.7
224.13695	0.8
233.11813	3.3
265.10812	2.7
277.14413	1.1
343.04565	1.0
365.56613	1.1
385.18753	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69900	1.6
55.01768	2.0
56.36961	1.8
57.03328	4.4
58.00475	3.3
59.01252	100.0
61.98686	2.3
71.01256	74.6
71.54478	1.6
72.99181	10.0
73.02815	9.1
83.01244	5.2
85.02824	19.7
87.00742	12.1
89.02319	60.7
93.03368	2.1
95.01269	6.7
96.95862	2.3
99.00774	4.5
101.02326	54.2
101.03004	2.9
104.22805	1.7
109.73637	1.5
111.00737	1.8
113.02332	27.9
119.03399	32.2
119.04907	2.3
120.99539	3.0
121.02833	1.8
125.02334	3.5
129.01776	1.8
131.03378	4.7
135.11697	3.6
137.09612	1.9
137.61371	1.8
143.03403	3.2
149.02409	2.7
149.04430	2.4
161.04430	11.6
161.09634	9.6
167.03381	2.3
173.04555	1.9
176.08369	3.6
179.05516	5.7
179.10680	25.4
180.11041	1.8
187.11203	25.8
188.11560	3.1
189.09119	1.6
190.09911	6.6
191.05524	6.9
196.65401	1.5
203.10828	4.0
204.11519	8.5
205.12277	29.1
206.12604	1.7
215.10674	2.9
223.09662	14.3
233.11783	12.1
259.13284	3.8
265.10724	2.0
277.14417	6.9
385.12079	2.2
385.18250	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	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.7
57.03328	4.0
58.00463	4.9
59.01252	100.0
71.01253	75.3
72.01613	1.3
72.98773	1.0
72.99171	4.2
73.02815	10.3
83.01259	3.4
84.02081	1.2
85.02819	18.6
85.66705	1.0
87.00755	11.3
89.02319	72.2
90.02661	1.2
95.01265	4.3
99.00771	3.6
101.02326	49.2
111.00790	1.5
113.02326	33.6
114.02728	1.5
119.03391	35.8
125.02309	1.9
129.01808	3.1
131.03377	3.1
137.12811	1.0
143.03391	5.6
149.04459	2.1
159.02875	3.8
161.04482	10.8
161.05759	1.6
161.09665	5.2
171.08011	1.5
175.07538	1.9
176.08270	3.6
179.05542	9.0
187.11211	32.6
188.11516	2.7
189.09134	2.2
190.09918	4.8
203.10645	1.4
204.11459	7.1
205.12274	27.7
206.12674	1.8
211.22482	1.0
215.10605	2.5
233.11792	17.4
234.12207	1.8
243.64891	1.2
244.74072	1.2
259.13370	3.1
264.29599	1.1
276.78223	1.0
277.14508	8.2
385.18472	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69900	1.6
55.01768	2.0
56.36961	1.8
57.03328	4.4
58.00475	3.3
59.01252	100.0
61.98686	2.3
71.01256	74.6
71.54478	1.6
72.99181	10.0
73.02815	9.1
83.01244	5.2
85.02824	19.7
87.00742	12.1
89.02319	60.7
93.03368	2.1
95.01269	6.7
96.95862	2.3
99.00774	4.5
101.02326	54.2
101.03004	2.9
104.22805	1.7
109.73637	1.5
111.00737	1.8
113.02332	27.9
119.03399	32.2
119.04907	2.3
120.99539	3.0
121.02833	1.8
125.02334	3.5
129.01776	1.8
131.03378	4.7
135.11697	3.6
137.09612	1.9
137.61371	1.8
143.03403	3.2
149.02409	2.7
149.04430	2.4
161.04430	11.6
161.09634	9.6
167.03381	2.3
173.04555	1.9
176.08369	3.6
179.05516	5.7
179.10680	25.4
180.11041	1.8
187.11203	25.8
188.11560	3.1
189.09119	1.6
190.09911	6.6
191.05524	6.9
196.65401	1.5
203.10828	4.0
204.11519	8.5
205.12277	29.1
206.12604	1.7
215.10674	2.9
223.09662	14.3
233.11783	12.1
259.13284	3.8
265.10724	2.0
277.14417	6.9
385.12079	2.2
385.18250	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73195	1.0
59.01260	2.5
67.01767	3.0
67.42363	1.0
71.01262	2.6
71.88981	1.0
72.99182	3.9
78.28306	1.0
81.03345	2.1
81.96995	0.9
83.04881	1.1
85.02833	13.3
87.00761	6.9
92.93887	1.0
93.03342	28.8
94.03690	1.3
98.19995	6.0
98.20673	1.9
107.04909	2.5
108.02082	7.0
109.02850	4.3
111.04402	3.9
121.02837	3.4
123.04424	10.7
125.02337	2.5
127.03928	2.9
133.02867	3.7
137.02306	1.2
151.03932	18.7
154.52457	1.0
165.05470	1.3
173.04482	15.6
175.99527	1.1
177.01849	2.6
181.04941	1.3
190.20273	0.9
191.05557	100.0
192.05817	6.0
193.06097	1.0
195.03026	5.1
213.04051	1.4
217.78622	1.0
247.04616	1.6
278.06659	1.1
337.09299	1.8
343.80017	1.1
369.08130	4.0
387.09409	10.4
388.10083	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	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31839	1.0
59.01260	8.8
60.99181	2.1
61.51835	1.1
61.98704	2.8
62.42422	1.2
67.01763	5.0
69.03339	1.5
71.01260	6.2
71.54391	1.5
72.99193	3.3
73.02808	1.6
83.01286	1.4
83.04877	1.4
85.02824	14.5
85.54017	1.0
86.03170	1.2
87.00737	9.8
89.02330	2.6
89.27589	1.1
93.03339	34.2
94.03689	1.6
101.02341	2.3
106.27350	1.5
107.04926	2.2
108.02063	7.5
109.02856	4.8
110.36868	1.1
111.04398	4.4
113.18704	1.1
119.03445	1.6
121.02842	4.4
123.04411	13.0
125.02337	2.7
125.63025	1.1
127.03929	3.1
133.02864	3.5
135.04399	1.8
137.02379	2.0
149.02309	3.6
151.03903	19.4
152.04250	1.4
163.07516	1.4
165.05426	2.1
166.02658	1.9
166.65715	1.1
170.82242	1.1
171.02950	1.2
171.92412	1.1
173.04474	13.6
177.01917	3.9
179.03432	1.4
191.05542	100.0
192.04228	2.4
192.05920	4.4
195.02922	4.8
207.06575	4.9
213.04019	2.8
225.07678	2.2
337.09320	2.0
369.08087	1.8
387.08990	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29811	0.8
57.03323	2.2
58.00459	2.2
59.01252	33.7
60.99175	1.2
61.01681	0.7
67.01754	2.8
71.01254	34.1
72.99171	8.6
73.02837	5.3
81.03326	1.6
82.57155	0.7
83.01254	2.7
83.04927	0.8
85.02824	27.1
87.00758	9.4
89.02323	27.6
93.03333	35.8
94.03682	1.0
95.01249	2.6
95.04903	1.3
97.19739	0.8
98.20564	2.0
99.00756	2.5
99.04365	1.2
101.02319	18.6
105.26257	0.8
107.04929	0.8
108.02060	8.2
109.02840	4.0
111.04408	3.3
113.02323	11.3
119.03398	9.8
121.02859	6.2
123.04410	8.0
125.02377	1.2
125.14272	0.8
127.03889	3.1
133.02867	3.7
137.02301	1.5
137.09587	1.2
143.03397	2.2
149.02403	0.9
151.03897	14.8
153.12749	1.2
155.03285	1.1
161.04453	5.9
171.02907	1.2
173.04477	10.6
177.01807	1.8
178.02637	0.9
179.05595	1.7
189.12802	1.5
191.05534	100.0
192.05862	4.8
193.96736	0.7
195.02924	5.8
214.71762	0.8
223.31474	0.7
225.14857	6.4
247.04544	2.2
387.09354	1.3
387.20303	2.0
394.84836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01766	1.1
57.03315	1.1
58.00463	1.4
59.01252	18.5
62.38594	0.6
69.52271	4.0
71.01254	18.9
72.99198	0.8
73.02821	14.7
83.01246	2.1
85.02821	8.8
87.00758	1.1
89.02330	8.8
95.01275	1.6
95.04911	1.8
98.19768	0.8
99.00764	1.3
101.01270	0.8
101.02325	12.1
109.02813	0.9
109.06504	1.3
113.02335	12.6
115.87637	0.7
119.03370	4.5
129.73271	0.7
135.08104	0.9
143.03424	1.3
161.04475	4.5
163.11211	9.5
164.11459	1.3
181.12263	100.0
182.12619	6.7
205.12186	0.7
207.10248	2.7
207.13855	0.8
223.13383	1.6
225.11284	62.8
226.09642	1.2
226.11525	6.0
249.11304	2.9
267.12320	9.0
327.14517	1.4
346.81915	0.9
357.13333	1.3
387.16403	2.5
387.20386	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
58.00434	0.8
59.01250	16.8
71.01254	11.2
72.01645	0.7
72.99185	1.1
73.02819	20.1
79.61388	0.7
81.06941	0.8
83.01252	0.7
83.04895	1.3
85.02827	5.5
87.00751	1.3
87.04385	0.9
89.02319	10.5
95.01249	1.1
95.04900	2.4
101.02337	6.1
104.55093	0.6
107.04901	1.4
107.08542	1.8
109.06472	2.5
111.08047	1.0
113.02337	8.6
119.03392	2.8
121.06426	1.0
135.08093	0.9
143.03421	0.8
145.10144	0.9
155.07249	0.6
161.04474	2.5
161.09618	1.0
163.11186	16.0
164.11522	1.0
179.05515	0.7
181.12259	88.7
182.12662	6.0
207.10237	6.4
208.10616	0.7
225.11278	100.0
226.11584	8.0
229.35793	0.8
249.11311	6.3
267.12424	3.5
276.71747	0.8
291.12332	1.4
308.11566	1.9
327.14853	0.7
387.16180	1.1
387.24252	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.54924	0.6
55.01747	0.6
57.03301	0.6
58.00474	0.8
59.01256	7.9
69.44875	2.1
69.45300	1.8
71.01257	6.2
73.02827	19.4
73.03243	1.0
74.46853	0.5
82.77849	0.7
83.04932	0.6
85.02827	3.6
87.04424	0.9
89.02341	2.5
95.01281	0.9
95.04895	1.8
95.56698	0.6
101.02312	2.3
109.06475	1.6
111.08009	0.9
113.02345	5.6
119.03382	0.7
120.05630	0.6
121.06489	1.1
131.35327	0.5
141.89432	0.5
143.03427	0.6
161.04567	0.6
161.09622	0.9
163.11205	12.1
164.11562	0.8
174.80493	0.6
181.12274	100.0
182.12621	5.7
195.13933	0.7
205.12328	0.9
207.10179	3.6
210.49809	0.6
223.09767	0.7
223.13322	1.0
225.11292	85.5
226.11703	5.7
249.11249	2.8
267.12375	3.7
327.14499	0.8
347.22504	0.6
387.16806	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
58.00466	0.8
59.01247	6.2
69.38162	1.4
69.38561	3.4
71.01262	5.1
73.02821	10.7
85.02829	3.9
87.04449	0.6
89.02318	1.2
91.41171	0.6
94.00156	0.6
95.01276	1.1
95.04926	1.0
97.02822	0.7
101.02326	1.8
107.04992	0.7
109.06484	1.3
111.08047	1.0
113.02326	7.5
141.57104	0.6
143.03339	0.7
153.34245	0.6
154.69434	0.6
161.04402	1.4
163.11201	9.3
164.11597	0.7
176.67892	0.6
181.12271	100.0
182.12601	7.3
195.13809	1.4
207.10181	2.4
223.13298	1.6
225.11287	57.2
226.11610	5.8
237.29697	0.7
237.98146	0.7
239.12782	1.4
249.11339	1.5
267.12393	9.7
268.12662	1.0
288.22147	0.8
327.14435	0.9
377.32214	0.7
387.16602	3.2
388.17044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
58.00472	1.2
59.01252	17.0
70.83698	1.7
71.01254	14.7
71.93005	0.7
73.02813	16.2
83.04909	0.9
85.02843	5.0
86.29375	0.8
89.02313	9.3
89.84724	0.8
95.01270	1.8
95.04909	3.4
101.02307	4.2
107.04906	1.9
107.08571	1.0
109.06462	3.5
110.88924	1.0
111.08054	0.8
111.79311	0.7
113.02346	10.8
119.03391	2.7
121.06474	2.2
133.06511	1.1
135.08093	1.1
137.06017	1.0
137.09743	0.7
141.01834	3.4
145.10138	0.9
161.04410	1.8
161.09578	1.2
163.11200	20.7
164.11568	0.9
168.00436	1.0
179.05507	1.4
179.07051	0.9
181.12268	77.5
182.12627	4.7
184.43858	0.9
205.12215	1.2
207.10193	11.2
208.10455	1.3
224.06767	1.7
225.07962	10.8
225.11269	100.0
226.11635	8.0
248.92534	0.8
249.11264	7.9
267.12323	3.7
274.11981	0.8
279.12415	1.3
291.12421	1.0
293.99518	0.8
299.43784	0.8
310.14301	0.8
375.30872	0.8
387.12506	5.4
387.23853	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	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
57.03333	5.1
58.00471	1.2
59.00949	1.5
59.01253	30.7
69.03313	0.9
71.01255	56.9
71.04891	2.5
71.54140	0.7
72.01595	0.8
72.99174	2.9
73.02818	11.4
75.40661	0.7
79.59131	0.7
83.01266	5.3
85.02827	18.4
87.00748	2.4
87.12540	0.8
89.02321	28.2
93.03358	0.9
95.01275	3.2
95.04900	1.4
97.02835	2.1
99.00785	4.9
101.02328	31.5
102.02651	1.0
109.06495	1.1
111.00767	1.6
111.04368	0.7
113.02336	24.2
119.03392	9.7
123.08032	1.2
125.02338	1.7
129.01840	0.9
131.03398	1.1
136.05164	0.7
137.09583	1.7
138.06773	20.1
139.00255	1.3
143.03418	3.1
150.60289	0.8
153.09125	52.4
154.09444	2.2
154.99753	0.7
159.02899	5.2
161.04471	21.4
161.05823	1.1
162.04854	1.0
165.12817	1.0
169.07930	0.8
173.43864	0.8
179.05466	3.7
189.12869	1.2
191.05473	0.9
194.99321	0.8
203.33334	0.9
205.03458	1.3
207.13840	5.3
225.14914	100.0
226.15289	8.6
346.62985	0.8
370.21118	0.7
387.20193	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	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
57.03333	5.1
58.00471	1.2
59.00949	1.5
59.01253	30.7
69.03313	0.9
71.01255	56.9
71.04891	2.5
71.54140	0.7
72.01595	0.8
72.99174	2.9
73.02818	11.4
75.40661	0.7
79.59131	0.7
83.01266	5.3
85.02827	18.4
87.00748	2.4
87.12540	0.8
89.02321	28.2
93.03358	0.9
95.01275	3.2
95.04900	1.4
97.02835	2.1
99.00785	4.9
101.02328	31.5
102.02651	1.0
109.06495	1.1
111.00767	1.6
111.04368	0.7
113.02336	24.2
119.03392	9.7
123.08032	1.2
125.02338	1.7
129.01840	0.9
131.03398	1.1
136.05164	0.7
137.09583	1.7
138.06773	20.1
139.00255	1.3
143.03418	3.1
150.60289	0.8
153.09125	52.4
154.09444	2.2
154.99753	0.7
159.02899	5.2
161.04471	21.4
161.05823	1.1
162.04854	1.0
165.12817	1.0
169.07930	0.8
173.43864	0.8
179.05466	3.7
189.12869	1.2
191.05473	0.9
194.99321	0.8
203.33334	0.9
205.03458	1.3
207.13840	5.3
225.14914	100.0
226.15289	8.6
346.62985	0.8
370.21118	0.7
387.20193	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	389.1243
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
50.01956	0.2
55.01748	0.3
57.03321	0.5
59.00994	0.2
59.01244	2.5
59.44151	0.2
69.49577	0.5
69.49980	1.4
71.01250	1.9
73.02819	1.6
82.04882	0.2
83.01233	0.3
83.04869	0.3
85.02800	0.8
87.04364	0.4
89.02312	0.6
91.36596	0.3
93.03328	0.5
96.95872	0.5
97.06432	0.4
98.20524	0.5
101.02306	1.0
107.04910	0.3
113.02325	0.6
117.03324	0.5
119.03389	0.3
119.04908	0.5
139.01884	0.3
139.07542	0.3
141.06985	0.8
143.04927	8.4
145.02849	0.7
155.10736	0.3
157.06502	1.5
157.08516	0.5
159.08089	2.2
160.08441	0.3
161.04492	0.5
166.04985	0.4
167.05325	0.4
171.10161	1.0
181.06544	0.5
182.07242	0.8
183.08057	3.2
185.06004	13.1
185.11745	0.5
186.06302	0.6
191.05542	0.6
193.98413	0.3
194.93434	0.2
201.11243	0.4
209.15361	0.2
225.05521	0.9
227.07088	100.0
228.07422	8.1
243.15942	0.4
269.69855	0.2
301.20288	0.5
341.23230	0.4
359.24448	0.9
371.24329	0.6
389.12143	0.5
389.16956	0.5
389.20621	0.6
389.25494	12.4
390.25916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
93.26341	6.5
98.19802	19.7
99.97372	5.8
104.53600	7.4
191.74594	7.0
226.13593	6.8
252.72472	7.4
260.26117	6.4
333.13895	6.6
333.32867	5.7
395.84763	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	390.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.0
61.98706	100.0
66.80519	3.3
69.68759	20.3
71.01263	5.3
93.03343	4.1
96.95901	3.4
179.03749	3.9
184.66815	3.2
191.05515	6.9
304.19635	3.4
365.53442	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	391.1038
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
57.03284	0.5
59.01252	13.5
61.67441	0.3
63.02273	0.6
63.96102	0.5
65.00191	6.5
71.01259	3.4
71.53931	0.5
72.99178	0.9
73.02819	1.0
73.85136	0.3
75.64377	0.3
83.01253	4.6
83.01710	0.4
85.02810	1.7
87.00726	0.4
89.02315	0.9
93.03329	0.4
96.95907	0.5
99.00793	0.8
101.02343	3.6
105.91299	0.4
107.01273	7.3
109.02850	0.5
113.02336	1.1
119.03384	0.4
119.04910	3.5
120.85932	0.3
121.02858	2.3
125.02343	1.2
134.83911	0.3
135.98245	2.4
137.02315	0.7
141.07010	0.6
143.04936	3.5
145.02855	9.7
146.03233	0.5
151.00278	19.6
152.00626	0.7
157.06490	0.7
161.04555	1.1
161.05974	4.2
179.03439	0.4
183.10245	0.4
185.06006	8.9
186.06371	0.6
191.05573	0.9
194.29031	0.3
215.07057	0.4
225.05534	1.3
227.03455	0.5
229.05019	100.0
230.05376	8.3
253.05061	1.2
271.06107	2.7
295.06345	0.4
321.08276	0.4
349.94110	0.4
354.00296	0.4
376.15085	0.4
385.58563	0.3
391.10275	5.3
391.19586	2.8
392.10449	0.5
395.36014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62461	1.9
59.01252	28.2
64.73543	1.6
69.50142	11.6
71.01258	6.8
71.28493	1.6
73.02816	4.5
75.00738	2.2
76.12038	1.7
81.03302	2.7
85.02827	5.0
89.02307	2.0
93.03323	5.0
96.95872	2.3
98.19846	3.8
101.02322	4.3
108.02060	2.2
111.30746	1.7
111.73744	1.6
111.98866	2.2
113.02392	1.7
119.04910	6.7
121.02832	16.4
122.03600	7.5
123.04416	13.7
132.02063	3.0
133.02899	5.3
134.03676	2.9
135.04436	8.1
136.05185	25.8
137.05984	4.9
145.02939	2.7
147.04414	7.4
149.02347	28.5
149.05969	4.4
150.03137	82.1
151.03926	17.8
151.07585	2.1
161.05951	2.9
163.03951	7.3
164.03452	1.8
164.04742	9.5
165.03963	5.8
165.05466	46.7
166.05798	2.7
174.05563	2.2
180.04008	2.0
181.04985	10.5
191.05487	9.2
192.10445	1.9
195.06558	61.8
196.06918	3.5
200.03471	2.0
205.05023	4.0
215.96439	1.7
218.04544	4.9
229.08693	16.5
230.09120	2.6
235.94438	2.2
269.08234	2.7
283.09647	8.7
284.10559	2.4
311.09192	7.2
343.11856	100.0
344.12042	12.0
384.57297	1.8
391.10513	1.7
391.13965	16.4
391.19519	5.7
391.27145	12.5
392.14218	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
59.01254	100.0
60.01590	1.8
70.20179	1.7
71.01255	8.7
72.19888	0.5
73.02830	1.4
79.67122	0.5
85.02828	1.9
87.00755	0.9
89.02325	13.4
93.03332	0.8
95.01278	0.8
96.95889	1.0
99.00797	0.8
101.02323	6.1
109.02905	0.5
113.02325	4.6
119.03385	6.1
119.04868	0.6
131.03397	1.1
137.02339	0.7
143.03436	1.8
145.02885	0.6
147.04468	0.7
155.10825	0.5
161.04553	2.0
161.05827	0.5
163.03938	1.1
179.05600	2.1
191.05650	1.4
205.05151	0.6
331.17679	2.0
391.14856	0.6
391.19693	2.7
391.26962	10.1
392.27414	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.6
57.03316	2.5
58.00462	1.3
59.01254	63.2
61.29313	0.8
71.01253	23.8
71.11184	1.1
71.53913	1.2
72.99168	2.0
73.02821	10.8
75.00763	0.9
83.01263	7.0
85.02828	13.3
85.99964	1.7
87.00730	1.0
89.02314	6.7
90.21992	0.8
93.03329	2.4
95.01257	2.3
95.04908	0.8
96.95871	2.7
99.00745	3.5
101.02322	22.9
111.00789	1.9
113.02326	9.6
119.03382	3.2
119.04878	1.7
121.02834	3.2
122.03620	4.9
123.04397	3.4
125.02346	1.6
129.01834	1.3
129.09059	1.0
132.86534	0.8
133.02829	1.0
135.04391	2.3
136.05191	4.0
137.02383	0.9
147.04367	1.4
147.25978	0.8
149.02361	9.6
150.03131	38.4
151.03929	8.2
159.02855	1.3
160.45030	0.9
161.04462	4.4
163.03912	1.0
164.04691	2.5
165.05482	40.2
166.05922	1.8
178.93536	0.9
179.03339	0.9
179.05525	1.8
180.04167	2.7
181.04918	4.5
191.05527	3.8
195.06564	34.2
196.06834	1.8
211.00124	0.9
211.13223	1.7
229.14438	1.5
311.09106	1.1
331.17566	3.2
343.11914	9.1
361.25903	3.1
373.18668	2.4
391.19690	100.0
391.26984	17.4
392.20099	12.2
392.25192	1.2
392.27344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.4
59.01255	100.0
60.01588	1.0
66.76028	0.3
70.59814	0.8
71.01254	4.3
73.02831	0.4
73.83156	0.3
85.02841	1.0
89.02327	4.5
96.95916	0.5
97.78175	0.3
101.02328	3.3
113.02351	1.8
119.03400	2.5
143.03429	0.4
157.07571	0.4
161.04491	1.1
179.05560	1.2
191.05551	0.6
212.80147	0.3
243.90355	0.3
301.37299	0.3
331.17593	1.1
391.19714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
58.00481	0.6
59.01256	100.0
60.01583	1.3
61.98718	1.8
69.25956	3.1
69.26369	1.2
71.01260	6.0
73.02839	1.9
83.01270	1.3
85.02843	2.3
87.04408	0.7
89.02356	1.6
99.00847	0.6
101.02335	4.0
113.02354	2.5
115.07498	0.6
119.03448	0.6
125.09673	0.9
137.02417	0.6
143.03320	0.6
153.09171	0.7
161.04463	3.9
169.12317	1.1
171.10164	2.9
171.11523	0.5
172.02536	0.6
185.11783	1.6
201.11241	1.5
215.12817	0.8
229.05038	2.8
285.20715	0.7
331.17676	1.9
332.18216	0.6
373.26141	1.5
374.26529	0.8
381.07507	0.6
391.19513	2.8
391.27094	49.3
392.27499	6.1
408.96014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49063	0.4
59.01253	2.7
60.99175	0.6
61.46705	0.4
67.01751	1.4
69.03335	0.8
69.54327	2.7
71.01263	1.9
73.02851	0.4
81.03348	0.5
83.04884	0.5
85.02827	15.2
87.00750	5.1
93.03344	11.0
94.03674	0.9
99.04414	0.7
109.02820	1.1
111.04428	2.8
119.04868	0.5
121.02799	0.5
125.02336	0.8
127.03896	3.8
129.03362	0.6
133.02832	1.4
134.03625	1.2
135.04428	9.6
137.02318	1.0
141.46114	0.4
145.02882	4.4
147.04428	7.0
151.03961	0.7
160.01608	0.6
161.02367	0.8
163.46901	0.5
171.02925	1.4
172.03894	0.6
173.02365	10.4
173.04492	5.7
174.02646	0.5
174.05547	4.1
177.21680	0.4
179.03445	2.5
183.54262	0.4
191.05547	100.0
192.05875	3.7
200.03481	20.5
201.03772	1.5
218.04544	10.4
219.04774	0.6
230.06718	3.4
308.08994	0.8
392.09924	6.9
393.10019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	21.2
62.01556	1.1
63.02266	2.4
65.00201	7.8
70.03283	1.2
71.01260	4.2
73.48705	1.3
79.95616	1.7
83.01252	8.2
85.02835	1.8
89.02325	3.0
93.03336	5.3
96.95903	6.5
101.02324	2.5
102.05486	12.5
107.01277	15.2
119.04912	43.4
120.05247	3.0
120.99551	26.8
125.02330	4.3
128.03461	3.2
145.02937	1.8
151.00275	49.9
152.00581	2.3
161.06056	1.8
165.01791	1.7
169.01306	2.6
171.10213	3.2
177.01826	4.4
185.05978	2.4
187.03972	1.6
189.01895	2.1
191.05684	1.8
203.14316	1.7
207.02953	2.7
227.06989	2.4
265.05634	3.9
271.06125	100.0
272.06436	8.9
392.27130	5.6
393.02863	1.5
393.28113	2.5
394.18698	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	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59030	16.4
69.76997	100.0
98.20437	33.6
107.99619	23.6
120.48878	19.1
153.31351	17.3
157.39891	17.1
167.88121	19.8
169.47339	18.0
181.30411	17.1
193.61479	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12153	1.0
59.01252	28.0
60.99175	1.9
66.03362	2.5
67.01759	6.0
69.03327	1.6
69.29115	1.0
70.72735	2.7
71.01255	3.0
72.99176	11.3
81.03329	1.9
83.04918	1.3
85.02831	6.9
87.00746	9.2
93.03337	38.6
94.03669	1.5
94.73636	1.0
98.02320	1.9
99.00752	1.1
107.04904	11.9
109.02821	3.4
111.04401	6.8
119.04925	1.3
121.02826	3.2
127.03900	2.6
130.06534	1.9
131.03633	1.4
134.03638	2.2
135.04424	12.5
144.04398	1.8
146.05971	1.1
147.04411	10.6
148.07610	2.4
149.05876	1.0
155.03354	2.6
158.06061	6.1
161.02339	1.1
173.04472	31.4
174.04773	1.6
176.03400	2.4
176.07109	2.1
179.03366	4.7
183.52185	1.1
184.04027	1.6
189.83485	1.0
191.05534	100.0
192.05891	5.6
193.06041	1.9
201.03876	1.1
202.05029	10.4
220.02596	2.2
220.06094	56.7
221.06424	3.4
233.06616	27.3
272.07730	2.7
376.10352	1.9
394.06406	1.4
394.11423	22.0
395.11560	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	394.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64272	0.8
57.03330	1.0
59.01235	3.7
60.99170	0.8
66.03353	1.6
67.01743	3.2
71.01248	2.6
72.99185	9.7
81.03339	1.6
82.14989	0.8
83.04912	1.3
85.02818	9.2
87.00758	7.1
93.03337	26.6
93.03920	1.3
94.03645	1.3
96.95874	1.7
98.02356	2.9
99.00769	1.4
107.04903	5.4
111.04392	4.6
121.02844	2.4
127.03893	2.6
129.01784	1.0
130.06535	0.9
131.04912	2.6
132.04420	1.5
134.03648	1.0
135.04486	4.6
135.35124	0.8
144.04509	1.4
146.06035	1.2
147.04405	8.4
148.07559	2.9
149.05995	13.3
150.06364	0.9
155.03404	1.8
156.04436	0.9
158.06036	5.4
160.03999	0.8
161.02306	1.0
173.04466	23.4
174.05470	1.0
175.03795	1.2
176.03432	1.0
182.28944	0.8
184.03960	2.1
186.33717	0.9
191.05544	100.0
192.05919	5.1
202.05055	12.2
203.03513	1.1
220.06113	52.0
221.06439	3.3
233.06630	1.3
272.07687	4.9
335.63361	0.7
376.10373	5.0
394.11441	27.8
395.11627	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	394.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80800	0.1
51.93085	0.1
52.38147	0.1
53.13379	0.1
54.35102	0.1
59.01254	0.7
61.98719	0.2
62.96260	0.3
78.95779	100.0
90.70712	0.1
91.29488	0.1
91.36514	0.1
96.96847	3.7
118.78702	0.1
160.62808	0.2
225.16609	0.1
280.43021	0.2
323.42596	0.1
394.23627	20.0
395.24020	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	395.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	94.2
60.01585	1.0
70.40931	1.6
71.01253	1.6
78.34785	0.5
83.04944	0.6
87.00765	0.8
89.02332	1.1
90.09914	0.5
91.35362	0.6
93.03337	3.9
101.02357	0.6
110.82120	0.5
111.04420	3.1
115.07615	0.6
125.96357	0.7
133.02840	0.8
135.04445	1.7
137.02417	0.6
155.03419	2.8
161.02379	2.7
173.04474	14.5
179.03439	0.9
185.10902	0.6
191.05547	7.1
192.05791	0.8
204.02985	1.4
221.06438	1.2
233.06631	100.0
234.06998	4.9
242.80254	0.5
292.14548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30475	0.7
55.01754	1.5
57.03309	1.8
59.00952	1.9
59.01250	33.2
60.99194	0.7
66.43850	0.8
67.01750	2.8
69.03326	1.3
71.01257	15.7
71.41332	1.5
72.99183	1.1
73.02821	6.3
79.90397	0.8
80.53079	0.7
83.01260	5.7
85.02827	7.0
87.00760	1.2
87.55810	0.9
89.02309	2.7
90.51830	0.7
93.03335	18.7
95.01264	1.8
99.00764	2.8
101.02329	14.9
109.01783	0.7
109.02763	0.6
111.00768	1.3
111.04409	4.2
113.02344	5.1
115.91972	1.3
119.04935	0.9
124.38411	0.8
125.02383	1.0
127.03915	0.8
129.01863	0.9
131.63116	0.9
135.04431	2.7
137.02370	5.2
143.03387	0.8
155.03409	5.4
161.02373	1.9
161.04430	6.2
173.04475	100.0
174.04802	4.7
179.03343	1.3
179.88680	0.8
191.05515	2.2
205.03557	0.9
225.64830	0.8
233.06630	88.3
234.06932	4.8
249.13393	33.0
250.13736	2.3
275.79794	0.7
320.08929	0.9
395.19150	9.6
396.19711	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	395.1897
Annotation	3beta-Hydroxypregn-5-en-20-one sulfate
Peak:m/z	Relative Intensity
59.01245	1.0
61.98704	0.4
69.87902	0.6
69.88281	0.6
79.95615	2.4
96.95893	100.0
97.95816	0.4
125.02431	0.4
156.00276	0.4
182.91811	0.3
395.18970	86.5
396.19318	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	397.114
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
59.01255	1.3
63.90803	0.9
66.11801	1.0
69.71188	3.0
69.71593	2.3
85.02808	1.1
93.03336	4.4
111.04406	2.6
117.03339	1.2
121.02838	7.1
132.02165	1.2
147.04401	3.7
149.02348	51.8
149.05971	1.2
150.02672	2.1
155.03410	3.4
163.03908	1.2
164.04700	50.2
165.05016	2.7
173.04472	5.6
179.07069	3.3
191.05518	16.2
223.06071	100.0
224.06416	7.1
397.11163	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	397.2052
Annotation	Taprostene
Peak:m/z	Relative Intensity
50.33445	0.8
51.47686	0.7
52.71942	0.6
59.01249	3.2
71.01256	1.9
71.54101	1.1
79.95580	1.6
85.02809	0.8
89.02338	1.4
94.70399	0.6
96.95892	100.0
101.02328	1.1
113.99078	0.8
133.80756	0.7
155.54115	0.7
155.89307	0.6
283.37756	0.8
380.30804	0.8
388.03439	0.8
397.20520	90.3
398.20862	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	398.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75070	7.4
53.00613	8.3
58.39656	7.9
59.01256	11.9
61.98712	100.0
69.65527	43.9
79.01273	7.3
85.02814	17.4
87.00742	13.4
89.66969	8.1
90.82754	7.8
93.03331	36.8
94.03640	9.9
99.00754	12.5
104.12722	8.0
109.02888	10.9
111.04362	11.8
123.00763	8.4
123.04398	9.8
125.02334	24.4
135.04443	67.5
137.02357	13.3
145.89940	8.1
161.02350	22.0
173.04533	20.2
178.99767	8.6
179.03464	67.6
191.05560	95.1
192.05890	16.2
238.62593	8.4
301.03458	10.0
314.71997	7.5
319.04587	41.0
335.07840	62.7
337.28818	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	399.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26257	1.1
57.03326	2.6
57.87767	0.9
61.45164	0.9
64.12077	1.0
70.92326	1.5
75.21964	1.0
78.95787	2.3
83.01265	3.2
85.02875	1.1
93.03343	2.2
95.01297	1.4
107.01286	2.6
109.02842	3.7
115.23941	0.9
121.02822	1.1
123.00805	1.1
124.01558	2.1
125.02361	24.9
125.03254	1.9
126.02687	1.2
135.04431	1.7
137.02324	4.4
139.00293	0.9
139.03938	3.2
147.00829	2.9
149.02368	1.2
151.00311	10.4
152.01031	2.6
153.01866	9.3
165.01889	4.5
167.03401	2.8
173.04546	1.3
175.00298	14.7
178.99800	11.8
181.01317	2.6
185.02548	1.1
191.03651	8.6
191.05347	7.8
193.01379	100.0
194.01697	5.4
206.99368	2.5
215.01660	1.0
215.03383	4.8
226.13687	1.0
229.05025	1.0
235.41273	0.9
253.60199	1.0
257.04642	4.8
276.29327	0.9
301.03543	18.1
302.03973	1.5
319.04599	37.3
320.04874	3.0
399.00330	21.0
399.09555	1.9
400.00705	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	399.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84309	1.5
57.03327	4.2
59.01249	10.5
65.00175	2.2
65.61294	1.7
65.68457	1.5
69.56813	9.7
71.01250	12.2
73.02831	1.8
73.50288	1.6
75.57146	1.5
77.56929	2.0
82.88120	1.5
83.01263	5.7
85.02834	5.4
87.00774	3.5
89.02319	3.5
93.03352	7.1
96.95908	2.4
97.02839	3.3
98.18820	1.6
98.19733	2.6
99.00759	22.7
101.02316	6.1
107.01295	3.8
109.02855	4.2
110.00014	2.1
111.00762	8.2
113.02358	6.1
119.04988	2.1
121.02837	5.2
121.06483	2.7
123.00779	8.5
123.04424	5.0
124.01550	1.6
125.02348	38.1
137.02368	5.6
137.09636	19.7
139.00273	14.8
139.03914	6.9
140.14722	1.7
141.01857	25.8
145.02853	6.8
147.04466	3.6
149.02357	13.5
151.00264	11.0
151.03926	8.6
153.01834	7.4
156.26646	1.5
159.04454	2.4
161.02396	2.5
161.04454	2.2
163.03960	2.4
165.01859	4.2
165.09142	4.4
166.02675	2.1
166.99776	6.5
167.03456	2.8
168.00591	5.8
169.01314	4.6
173.04527	3.8
175.00284	3.9
175.03929	6.2
175.11263	2.2
177.01886	5.6
178.99744	9.5
181.01297	3.7
187.03864	1.9
191.03439	7.9
191.05537	13.0
192.00439	1.9
193.01370	32.9
194.99319	8.2
197.00952	2.1
201.02029	2.0
215.03435	4.3
219.02946	8.3
227.03603	2.5
229.05031	3.5
233.04637	3.3
254.21599	1.7
255.02838	1.9
257.04456	5.7
273.04123	2.2
291.05060	2.3
301.03571	26.4
302.03741	2.8
310.86185	2.1
319.04620	100.0
320.05038	11.6
321.45959	1.9
322.33734	2.0
399.00333	13.9
399.16733	2.2
400.00433	2.3
409.71161	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	399.2023
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
55.01756	4.2
57.03317	4.2
58.00469	4.4
59.01252	47.8
60.01591	0.9
69.03315	1.6
70.94057	1.0
71.01252	53.1
71.04886	2.2
72.99172	3.9
73.02815	13.1
83.01254	11.5
83.04906	1.2
84.02026	0.7
85.02827	21.2
85.99961	2.4
87.00253	0.9
87.00729	4.4
87.03913	0.9
87.04391	8.2
89.02316	22.5
95.01268	6.6
96.95869	0.8
96.98166	0.7
97.02828	1.7
99.00745	6.2
101.02327	44.9
101.05965	21.3
102.06322	0.9
102.13824	0.6
104.82501	0.6
111.00747	3.4
112.01530	1.4
113.02325	23.9
119.03387	12.4
124.01554	1.2
125.02307	2.5
143.03386	2.3
161.04405	2.0
162.53807	0.6
169.12230	0.7
183.13741	1.1
185.15434	1.1
195.13844	0.7
237.14752	1.1
255.19580	2.4
256.84930	0.7
287.47986	0.7
297.17642	0.7
297.20560	4.4
346.25516	0.9
381.18729	0.8
381.23105	0.9
399.20102	100.0
400.20432	15.1
400.25055	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	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01506	0.5
55.01760	4.4
56.93413	0.2
57.03042	0.7
57.03323	8.5
58.00469	8.5
58.02855	0.3
59.01254	16.6
67.01762	0.8
68.99686	1.3
69.03327	7.0
71.01255	61.2
71.04891	9.8
72.01590	0.9
72.02010	0.6
72.05244	0.3
72.99183	2.9
73.02821	22.8
73.06441	1.4
75.00749	0.4
79.01765	0.3
81.03335	1.8
83.01259	18.8
83.04894	2.5
84.02039	1.3
85.02824	27.1
85.06464	2.0
85.99971	5.3
86.03159	0.4
87.00232	0.5
87.00761	7.4
87.04393	37.3
88.04710	0.7
89.02319	7.4
95.01268	12.2
96.01633	0.5
96.95901	1.0
97.02829	6.1
97.06476	0.6
99.00761	11.8
99.04378	2.9
100.01557	1.7
101.01816	0.9
101.02328	52.8
101.05963	100.0
102.02667	1.1
102.06304	3.0
111.00771	9.4
111.08121	0.4
112.01564	6.6
113.02335	44.3
113.05965	1.2
114.02634	0.8
115.00266	0.3
115.03885	0.8
116.01057	0.4
119.03417	1.6
123.00764	1.1
123.08014	0.4
124.01559	3.1
125.02345	10.5
125.05984	0.5
125.09588	0.8
127.07562	0.4
129.01854	0.4
131.03366	0.7
135.04434	0.3
137.09561	0.3
139.00238	0.5
139.11166	1.0
141.01799	2.0
142.02657	3.0
143.03401	5.8
149.06039	0.3
149.13319	0.5
151.11223	0.5
152.03172	0.4
155.07057	0.9
158.02124	0.5
160.03687	1.6
160.73933	0.3
161.04469	3.9
163.14926	0.4
165.12796	1.6
167.14323	2.1
169.12250	2.7
170.12567	0.3
178.04750	1.7
179.14357	4.2
183.13885	2.1
183.88242	0.3
185.15408	4.1
186.15781	0.4
195.13846	1.6
197.15375	0.7
211.16931	0.9
219.17500	0.5
227.16516	0.9
229.14421	0.8
235.17017	1.0
237.14934	0.7
237.18590	1.7
255.19643	11.8
256.19986	1.1
259.06110	0.3
275.16800	0.3
279.19635	0.6
281.58157	0.3
293.17661	0.8
297.20703	21.9
298.21048	2.1
321.20740	0.8
329.19696	1.6
337.20294	0.7
351.21704	1.2
363.21625	1.8
381.22760	2.7
399.23880	41.1
400.24216	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30874	5.9
53.77384	5.9
59.01249	24.9
62.92581	6.6
69.93757	22.2
71.01257	17.0
78.57883	7.2
85.02834	11.0
87.00774	19.8
89.02337	14.3
93.03348	7.7
93.28035	7.4
98.20464	9.2
102.38963	7.5
135.04462	9.0
191.05547	100.0
266.78052	8.5
341.10864	30.6
383.09613	8.4
401.10901	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	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.60478	0.9
53.55077	1.0
54.98908	0.9
55.01763	5.7
57.03328	6.9
58.00458	2.2
59.01254	49.5
60.01584	1.1
69.03332	2.8
70.42743	0.9
71.01256	100.0
72.01593	1.3
72.99184	4.9
73.02823	37.4
75.00744	4.5
79.01886	0.8
81.03348	1.5
83.00806	1.5
83.01264	15.9
85.02827	44.7
86.03170	1.2
87.00739	6.7
89.02319	23.1
90.98457	2.4
93.03365	0.9
95.01266	7.4
97.02851	4.9
99.00761	19.4
101.02325	69.4
102.02678	1.2
107.04901	1.2
111.00747	2.0
113.02333	33.8
114.02641	1.3
115.03877	2.8
119.03395	3.7
125.02341	7.7
125.05897	1.2
129.01846	1.7
131.03381	5.5
136.05182	2.4
143.03407	5.5
149.04547	1.6
151.07539	2.7
159.02893	6.2
161.04478	45.3
164.01045	1.1
165.01917	2.2
165.09128	1.6
171.21967	1.3
177.09026	2.0
179.00137	2.1
184.60872	0.9
191.05482	3.6
195.06543	1.9
195.10188	1.4
205.03432	1.5
221.08142	1.6
233.06622	7.1
239.09309	1.2
269.10306	82.0
270.10568	6.4
293.08762	2.9
330.78854	0.8
401.14493	82.2
402.14856	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.2
57.03321	17.9
58.00454	6.0
59.01254	100.0
60.01068	2.6
60.99428	3.0
67.97247	2.9
69.03323	4.0
71.01256	87.0
71.04881	5.3
71.54225	3.2
72.99181	9.0
73.02831	16.9
75.00755	5.2
81.03299	4.0
83.01261	10.5
83.04896	7.2
85.02826	74.4
87.00753	25.5
87.04393	13.6
88.66482	3.2
89.02325	43.9
90.90018	2.9
91.95898	3.5
93.03354	7.0
95.01257	5.6
97.02821	11.1
99.00796	17.8
101.02325	47.3
102.40335	3.2
107.04884	4.2
109.02859	4.2
109.06457	3.3
111.04395	6.4
113.02331	30.3
119.03401	25.6
121.06493	5.2
125.02312	10.8
125.05994	19.6
127.03889	4.7
131.03407	3.1
135.04448	3.4
135.07977	3.9
136.05290	7.7
137.02357	4.1
137.09593	12.4
138.06790	7.0
139.03889	4.5
139.07533	7.3
143.03477	3.8
143.04938	2.9
145.04938	7.6
147.87662	2.9
149.05971	8.9
149.09593	3.8
150.06755	13.9
151.03966	3.5
151.07568	15.6
151.11201	5.6
152.08311	5.5
153.09093	18.2
159.11722	24.3
161.04445	10.3
161.09612	8.5
164.08322	6.0
165.09120	78.4
170.05678	3.8
173.04434	5.1
175.07680	3.2
177.09134	35.0
178.09837	5.4
179.10641	5.5
181.08623	4.9
182.09381	7.8
191.05540	22.0
193.08603	6.0
195.10280	5.3
203.10725	6.7
205.12224	9.2
206.09406	5.3
219.10179	8.4
220.11015	43.0
221.11784	29.7
222.08672	3.1
223.13353	23.8
237.11270	12.4
239.09155	6.7
239.12862	11.1
247.08209	60.1
263.12857	6.2
281.13885	13.5
319.04544	7.4
358.09406	3.3
383.17087	14.2
384.17447	4.4
401.12973	6.1
401.18158	92.1
402.18515	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	401.1818
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.01732	4.5
57.03315	9.2
59.01250	37.6
71.01255	95.9
71.54494	4.1
72.99161	3.5
73.02824	33.0
75.00733	4.4
83.01268	10.8
85.02829	100.0
85.03350	4.8
87.00758	4.4
89.02338	15.0
93.03329	4.1
95.01272	6.0
96.95908	5.2
97.02785	3.7
99.00729	9.5
101.02332	45.7
105.01834	3.3
109.06467	5.9
113.02331	33.4
125.02347	7.7
136.11148	2.8
138.06773	24.2
139.30838	2.6
143.03400	3.2
149.06087	3.1
151.07628	4.2
153.09128	36.5
159.02898	7.1
161.04478	96.3
165.09111	8.4
177.09209	2.7
191.05432	6.7
193.04953	3.4
203.10727	4.2
205.03464	3.8
221.11797	60.3
222.12228	3.3
239.09261	5.9
239.12895	20.8
247.08264	6.0
362.08572	2.9
401.18079	63.1
402.18491	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	403.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
59.01249	2.7
60.99162	1.5
67.01771	4.6
68.29650	0.7
69.03329	2.0
69.58615	3.9
71.01249	1.9
72.99181	30.0
74.00156	0.6
76.37396	0.7
81.03320	1.6
81.43140	0.6
83.04887	0.8
85.02832	8.4
87.00734	6.4
87.01220	0.9
93.03342	30.7
96.85031	0.7
97.02837	0.8
98.19794	1.3
108.02068	1.0
109.02816	3.4
111.04421	5.3
121.02843	3.9
123.00798	1.3
123.04408	2.3
124.01545	1.7
125.02310	1.6
127.03900	2.5
129.01845	1.6
136.01591	3.3
137.02348	49.5
138.02646	1.5
139.03885	6.0
149.02342	10.5
151.03954	1.2
153.01924	0.7
155.03377	1.8
165.01863	1.9
167.03386	6.9
173.04478	61.4
174.04816	2.7
177.01768	1.0
191.05545	100.0
192.05899	5.3
193.01363	10.3
193.05998	1.1
194.01788	0.6
207.05003	0.8
211.02351	3.7
229.03467	0.9
247.04579	27.4
248.04851	1.3
311.00931	0.9
320.98441	0.8
347.92523	0.8
369.08191	1.7
385.07706	3.1
403.08682	6.7
404.09610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	6.0
59.01253	6.7
66.48379	1.7
67.01765	5.2
67.48997	1.7
69.64045	3.7
69.64458	6.9
71.01250	5.4
72.99184	26.5
74.02361	6.3
79.62389	1.8
85.02818	11.0
86.02385	3.3
87.00765	6.6
87.05514	2.8
90.31512	1.8
93.03345	32.3
98.20565	1.8
99.05535	10.1
109.02836	5.4
111.04392	6.4
121.02868	2.7
124.01619	2.1
127.03902	2.3
128.03455	22.4
128.30792	2.1
136.01529	2.4
137.02359	43.4
138.02589	2.0
139.03940	4.9
141.06606	2.4
143.04539	28.2
146.04552	2.6
149.02347	7.7
153.06689	2.4
155.03404	1.9
160.00664	9.6
167.03391	6.4
173.04469	48.7
173.05972	2.7
177.03302	4.0
179.04503	3.5
191.05547	100.0
192.05818	4.4
193.01353	9.4
210.08766	5.0
211.02437	1.9
239.12137	1.8
247.04579	20.2
254.07854	10.2
272.08875	16.3
288.06644	5.1
306.07675	44.9
346.58859	2.3
401.81311	2.2
403.08765	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	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83063	1.9
58.02846	3.6
59.01253	6.9
67.01757	6.3
71.01257	6.2
71.24988	1.6
71.65434	1.4
72.99181	35.4
73.02798	1.7
74.02336	9.3
85.02824	12.6
86.02376	2.0
87.00746	9.9
87.05513	3.9
93.03336	44.9
94.03698	2.6
97.03960	1.5
99.05514	8.7
101.02313	2.0
101.07090	1.8
101.76912	1.6
109.02847	6.3
111.04401	7.7
121.02853	2.4
123.04397	2.7
123.88964	1.5
125.03445	1.7
127.03925	2.1
127.04992	1.7
128.03426	17.6
133.11084	1.7
135.05568	3.0
136.01546	3.8
137.02350	50.7
138.02632	1.8
139.03914	5.7
143.04520	29.9
146.04500	2.0
149.02383	8.0
153.06653	1.8
160.00691	6.6
165.01851	2.6
166.09805	2.0
167.03389	5.3
170.44180	1.3
173.04480	48.4
174.04904	2.3
177.03207	2.8
179.04556	5.6
191.05545	100.0
191.46964	1.5
192.05899	4.0
193.01396	8.1
210.08836	5.7
230.30803	1.5
246.96378	1.4
247.04594	18.0
254.07909	7.9
272.08875	12.4
288.06683	2.5
306.07642	38.8
370.46030	1.6
385.07855	2.7
403.08853	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
53.89474	1.1
56.01490	0.9
57.03329	3.4
59.01252	87.1
60.01583	1.8
61.98704	4.3
71.00900	1.4
71.01254	15.8
71.02280	2.7
71.09169	1.3
72.75639	1.1
72.99179	2.1
73.02825	4.0
83.01235	1.5
85.02843	5.5
87.00776	1.8
89.02318	12.7
94.34914	1.0
96.95878	1.8
98.04365	1.0
101.02325	10.3
105.55666	1.0
113.02326	8.7
119.03390	5.4
119.08553	2.3
123.04348	1.4
133.10120	1.5
135.08058	2.3
135.11740	1.2
137.09604	7.1
141.45323	1.0
149.04378	1.3
151.72719	1.1
161.04440	1.6
161.09625	2.6
163.42967	1.2
173.04286	1.3
179.05505	1.7
179.10695	7.7
181.08603	12.0
191.05519	3.1
197.11769	52.9
198.12122	3.8
223.09694	5.4
241.10783	100.0
242.11095	7.0
257.83325	1.1
283.11868	2.2
289.36533	1.2
403.15921	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	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50226	0.9
58.02851	11.2
59.01251	5.5
61.35044	1.0
66.03339	1.0
68.04886	1.0
71.01258	3.1
72.00799	1.8
72.99190	6.0
74.02346	28.6
74.02743	2.1
75.54784	0.9
81.04474	1.7
82.02850	1.9
84.04431	1.0
85.02847	2.9
86.02348	9.0
86.05988	2.0
86.98997	2.1
87.00759	1.1
87.05522	6.5
88.03947	1.6
89.02295	2.7
90.00066	3.7
93.03335	5.0
94.03650	1.5
97.03960	1.9
98.20535	2.6
99.05524	20.9
99.96861	1.0
101.02300	1.4
101.07104	3.3
102.05488	3.0
107.06039	1.0
109.03990	3.4
109.07636	1.0
111.05532	1.8
112.03928	3.3
112.04683	1.4
112.57306	1.1
115.36007	1.0
115.36896	1.1
116.01676	1.2
119.03402	0.9
121.02809	1.3
122.48807	1.1
123.05504	2.0
124.03910	1.9
125.03420	1.9
127.05037	3.9
128.03433	59.3
129.03786	1.3
131.04547	1.4
135.05539	4.6
137.02373	6.1
137.07037	1.6
138.02687	2.9
141.06595	4.6
143.04529	85.1
144.04924	1.6
145.06116	3.4
146.04482	7.8
151.03993	1.5
153.06612	4.5
155.08157	1.7
160.00662	22.2
166.09743	2.9
167.04526	7.8
167.08176	1.9
171.04056	1.5
171.07716	1.3
173.04474	4.0
173.97514	1.0
174.04871	1.7
177.03307	7.7
179.04556	15.1
181.06165	2.5
184.10785	1.0
185.05626	2.9
191.05553	17.0
192.05884	6.0
192.07562	1.8
197.05670	3.4
198.08771	1.7
210.08821	15.5
212.03427	2.2
228.09813	2.0
232.25630	1.0
242.07861	2.0
248.04839	2.4
254.07825	25.2
255.07809	1.3
270.86865	1.4
272.08887	42.2
273.09183	1.6
288.06619	13.7
302.80099	1.2
306.07660	100.0
307.07925	5.5
362.97546	1.0
379.31104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37601	17.7
59.01249	99.0
61.98715	22.9
65.24668	20.7
66.68623	18.1
69.51705	100.0
71.01249	42.6
73.02802	20.8
85.02843	20.3
89.02274	21.3
93.03322	20.1
98.19803	37.3
129.00677	18.0
130.70906	16.3
135.04492	23.0
148.89297	18.7
191.05513	22.5
211.07658	38.9
214.48755	18.6
221.55623	16.1
225.15236	19.4
236.41299	17.1
251.24768	17.2
295.94110	20.8
405.24893	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73834	0.4
57.03320	0.9
59.01252	21.9
70.45610	0.4
71.01250	1.8
73.02827	1.5
83.01256	0.6
85.02802	1.2
89.02319	1.4
96.97137	0.4
98.19755	0.9
101.02333	1.5
107.95722	0.4
113.02325	1.6
137.09639	0.5
139.11191	18.1
140.11511	1.0
159.18713	0.4
165.09167	0.4
179.05476	0.5
181.12268	10.3
182.12511	0.5
183.10193	23.9
184.10541	1.9
191.05672	0.5
197.11729	0.5
199.13367	3.6
200.13788	0.4
207.01164	0.7
225.11267	7.0
231.01227	0.9
243.12355	100.0
244.12677	9.1
244.14972	0.8
249.02327	0.4
249.11258	0.7
285.04291	0.6
285.13425	2.1
286.13937	0.5
311.10529	0.8
317.01135	1.4
405.17261	3.0
405.25235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91240	0.4
57.03336	0.8
58.00471	1.2
59.01252	100.0
60.01599	1.3
60.57217	0.3
63.08221	0.3
71.01253	24.0
71.41817	0.4
72.99191	1.2
73.02824	0.5
78.36288	0.3
83.01252	0.4
85.02823	3.3
87.00769	1.1
89.02318	39.8
90.02677	0.8
95.01292	1.1
100.02738	0.4
101.02329	10.8
113.02340	10.5
119.03393	14.9
119.04247	0.8
121.10189	0.5
131.03418	1.7
143.03378	2.8
149.04463	1.7
161.04459	2.5
165.09108	0.9
179.05522	8.5
179.06964	0.6
189.82889	0.4
225.11314	0.9
243.12376	2.2
248.60582	0.3
329.11490	0.4
405.25204	0.7
407.14462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
59.01253	100.0
60.01590	1.5
61.98706	1.1
65.08427	0.5
69.03322	3.9
69.20692	4.7
70.58790	0.6
71.01258	2.5
71.04910	0.9
72.99194	0.5
73.02840	1.2
73.13104	0.4
78.52084	0.5
85.02834	1.7
89.02325	2.7
96.95916	1.4
97.67558	0.5
101.02319	2.5
111.08051	0.9
113.02332	3.4
113.05996	0.7
119.03399	1.8
139.11179	6.4
161.04509	1.7
183.10196	58.7
184.10559	4.0
191.05516	0.7
197.11891	0.7
215.03496	0.7
225.11371	1.9
243.02928	1.3
243.12427	1.7
249.82639	0.5
267.07788	0.7
281.09464	0.7
293.09494	0.8
305.56982	0.5
311.10413	5.4
329.11539	1.9
345.15512	1.3
405.25070	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01764	1.5
57.03331	16.4
58.00470	4.0
58.94359	0.5
59.01257	90.8
60.01596	0.5
60.59213	0.5
60.99136	0.5
68.99714	1.0
69.03345	0.9
69.71329	1.2
69.71748	1.3
71.01260	79.5
72.01608	1.9
72.99187	7.4
73.02820	4.6
74.02357	1.1
75.00747	0.8
83.01277	3.1
83.04912	2.0
85.02831	16.5
87.00753	4.6
87.04407	0.6
89.02325	94.9
90.02681	1.7
92.73956	0.5
95.01282	5.6
97.02859	1.1
97.06473	1.0
99.00764	1.4
99.04415	0.5
99.05526	0.9
101.02333	40.3
102.02666	1.1
105.88755	0.5
109.02884	0.5
109.06485	0.9
112.05228	2.7
113.02340	32.0
113.05960	0.6
114.02689	0.8
119.03402	36.5
120.03719	0.6
121.06417	0.8
125.02392	0.7
125.05969	1.1
128.03430	2.4
129.03755	0.8
131.03406	3.6
131.08568	0.6
134.07271	4.9
135.08086	2.9
137.09615	3.8
139.07574	6.5
139.11168	1.3
140.75821	0.5
143.03418	5.5
143.04543	3.2
144.04846	0.8
146.04494	0.6
149.04532	2.8
149.09644	52.0
150.09973	2.8
152.04672	0.6
153.09138	31.3
154.09476	1.5
159.02893	1.5
161.04485	12.1
167.10709	100.0
168.11057	4.7
171.10199	1.8
179.05576	9.4
191.05652	1.1
200.49278	0.5
207.13879	2.5
209.11813	4.7
225.14903	5.3
243.16006	18.3
244.16348	1.2
254.07796	0.7
255.08127	0.8
272.08807	1.5
273.09213	1.2
306.07706	1.9
307.08029	3.4
308.07361	0.8
352.05951	0.5
405.21494	4.0
406.21021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35308	0.8
57.03325	5.5
58.63249	0.6
59.01251	5.6
63.74551	0.6
64.58150	0.6
65.00204	1.4
67.26260	0.7
69.78684	2.5
71.01254	2.4
73.02832	0.9
83.01245	2.3
85.95430	0.7
89.02341	0.9
93.03329	1.3
96.95904	3.5
101.02295	1.0
107.01270	1.5
107.04819	0.7
109.02837	1.3
115.83965	0.7
117.85339	0.7
120.99546	1.0
123.04391	0.7
125.02337	69.6
126.02676	2.1
133.02875	1.9
135.04395	1.0
137.00555	3.2
137.02336	1.1
137.03333	0.6
139.02141	1.1
141.00049	2.0
151.00252	4.1
153.00067	0.8
153.01900	1.8
155.42896	0.6
160.01572	5.0
165.00084	7.4
165.01793	4.7
165.09195	0.9
167.01628	21.9
168.01959	1.4
169.06595	0.7
177.01857	3.2
183.58759	0.6
187.47878	0.7
191.05640	0.8
192.99577	100.0
193.99884	6.2
199.03978	0.8
201.12730	1.1
209.08157	4.7
215.01576	0.7
257.02539	0.7
259.00702	0.8
285.04047	2.6
301.01776	4.3
319.02817	53.6
320.03064	6.3
389.03403	1.2
407.04575	5.6
407.17374	2.1
407.26590	1.1
408.04678	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.3
57.03320	2.7
58.00483	1.5
59.01254	66.0
70.82865	2.8
71.01257	20.1
72.99184	2.3
73.02825	11.2
75.00738	2.6
77.85947	1.0
83.01260	7.4
85.02840	12.3
85.99967	1.9
87.00757	1.6
88.41756	0.9
89.02312	2.4
93.77812	0.9
95.01202	1.0
96.95911	1.7
99.00759	3.8
101.02323	26.3
111.00780	1.5
113.02324	7.2
119.03360	1.5
131.03426	1.0
157.12253	3.0
159.02927	1.9
161.04472	3.8
185.11736	1.3
191.05539	6.7
203.12860	8.3
211.13391	1.1
271.02545	1.4
278.41684	1.1
300.02643	2.3
319.17532	1.7
320.67426	1.0
347.17117	40.4
348.17471	3.5
365.18155	100.0
366.18530	8.3
385.63760	1.1
407.19235	80.7
408.19617	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.0
57.03317	2.6
58.00481	0.8
59.01252	70.5
60.01582	1.1
62.42864	0.7
69.47432	1.5
69.47834	4.0
71.01254	21.5
72.99171	3.4
73.02823	8.0
75.00744	1.8
76.63628	0.6
83.01247	7.6
85.02821	13.7
85.99953	1.8
87.00748	2.2
87.72521	0.6
89.02312	2.6
95.01283	1.2
96.95906	2.1
97.02857	0.9
97.27133	0.7
98.19768	0.8
99.00752	3.4
101.02321	22.4
104.55864	0.8
111.00699	0.8
113.02335	7.1
119.03374	1.3
135.04396	1.1
157.12238	3.1
161.04469	2.7
191.05527	7.8
203.12854	5.8
270.40399	0.8
271.02591	1.7
300.02783	2.6
319.17612	1.6
347.17084	44.0
348.17551	3.1
365.18149	91.5
366.18463	9.6
390.54089	0.9
407.19220	100.0
408.19592	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
55.42688	0.3
58.00473	1.3
59.01254	100.0
60.01580	0.9
69.54153	1.9
71.01257	22.8
72.99197	1.3
73.02831	0.5
75.79622	0.4
83.01263	0.7
83.09335	0.3
85.02845	2.4
87.00764	1.3
89.02322	37.2
90.02660	0.8
95.01286	1.3
96.24767	0.3
96.95945	0.3
98.19826	0.7
101.02329	10.9
113.02334	10.0
114.02714	0.4
118.64809	0.3
119.03395	15.5
131.03413	1.8
143.03398	3.2
149.04492	1.2
150.52390	0.3
160.18073	0.3
161.04474	2.6
165.09088	0.4
177.43974	0.4
179.05547	8.6
180.06030	0.3
209.08012	1.8
225.62105	0.3
229.75171	0.3
255.02989	0.6
407.08047	0.7
407.26425	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	407.2208
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.07455	0.6
59.01245	1.7
61.55340	0.6
66.29774	0.7
69.48484	4.3
78.18565	0.6
78.95785	100.0
96.96850	8.1
98.19803	1.3
98.32313	0.6
114.49119	0.6
117.63773	0.5
123.90560	0.7
150.97931	2.0
152.99510	81.5
153.99840	1.2
171.00578	68.4
172.00932	1.5
191.03772	0.7
192.30235	0.6
289.16763	0.7
338.31064	0.6
407.22110	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	407.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91735	0.4
52.96343	0.5
59.01252	100.0
60.01593	1.6
61.98701	0.5
63.22274	0.5
69.03337	0.6
69.32239	3.7
71.01261	7.2
73.02824	3.1
75.00744	0.7
79.95618	0.7
83.01261	1.5
83.04900	0.5
85.02826	4.0
87.00764	0.6
88.55722	0.5
89.02315	3.8
96.95892	4.0
97.02848	0.5
98.78908	0.5
99.00756	2.4
101.02321	7.1
104.21687	0.5
111.00790	0.7
113.02341	3.0
119.03403	1.1
125.02389	0.5
131.03398	0.7
143.03500	0.6
149.04475	1.3
152.46361	0.5
159.02785	0.6
161.04445	2.7
185.11864	0.9
191.05511	1.0
191.41479	0.5
227.03627	0.5
228.04222	0.6
243.02959	0.8
244.03650	0.9
245.04446	1.1
255.03076	0.7
256.03674	1.0
275.15070	2.2
281.04630	0.6
288.02710	0.6
347.20724	8.0
366.25653	0.5
407.07623	4.5
407.19009	1.8
407.26682	1.7
408.08215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08014	0.6
56.49380	0.6
59.01258	4.1
59.77233	0.6
61.01681	0.7
61.98705	100.0
66.33959	0.6
69.68664	3.8
71.01264	0.9
72.99174	0.6
89.02325	1.4
96.95921	0.8
98.19820	1.4
249.56830	0.7
264.44299	0.6
287.05563	0.6
297.70023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2364
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01259	0.3
61.25193	0.2
63.79718	0.2
70.40211	0.5
70.40601	0.5
71.33525	0.2
72.04718	0.2
78.95786	70.6
83.04936	0.3
93.03344	3.4
96.96860	5.7
111.04407	1.0
129.56052	0.2
137.02351	3.1
138.02771	0.2
150.97937	1.8
152.99509	100.0
153.99875	2.0
155.03441	2.6
171.00542	2.3
176.69415	0.3
184.31786	0.2
255.23247	2.2
409.23654	13.8
410.24124	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	409.2384
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01246	0.7
69.27180	2.3
83.04878	0.4
94.38840	0.3
175.11063	0.3
225.30357	0.3
295.20758	1.4
363.23221	3.0
364.23526	0.5
409.23770	100.0
410.24146	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07313	1.1
54.02187	1.5
57.65253	1.1
58.14478	1.3
59.01248	2.4
65.99722	1.9
67.01759	3.0
70.92334	2.4
71.01267	2.3
72.99184	51.8
75.02018	1.2
76.53327	1.3
81.03341	1.9
83.04979	1.4
85.02832	11.7
87.00759	7.7
93.03339	24.1
94.03694	1.7
101.06083	1.2
109.02819	2.4
111.04411	5.1
121.02829	2.9
123.04394	1.3
127.03892	2.3
133.02869	3.3
135.04417	25.7
136.04747	1.6
137.02332	3.8
146.02293	1.4
147.03262	2.1
147.04436	7.3
149.05934	1.5
151.03922	2.3
155.03383	1.7
162.05502	10.9
165.05475	2.3
173.04439	15.6
174.05563	6.9
176.03465	5.5
191.05540	100.0
192.05943	4.2
200.03500	3.6
218.00966	1.4
218.04578	9.7
219.02928	3.4
236.05615	33.7
272.07782	1.6
392.09711	3.5
410.10931	19.2
411.11206	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	410.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58163	1.9
65.99727	2.1
67.01733	3.9
67.56987	2.0
72.99181	50.1
81.03338	2.9
85.02824	10.4
87.00740	8.2
93.03333	25.7
98.19665	3.5
109.02850	3.4
111.04407	3.6
121.02832	3.6
123.04439	2.8
127.03931	2.6
133.02878	4.3
135.04419	24.4
135.72679	2.1
137.02356	6.0
147.04384	8.4
155.03342	2.4
160.51596	2.0
162.05493	8.7
165.05447	3.8
173.04482	14.6
174.05498	9.8
176.03522	2.9
191.05537	100.0
192.05905	3.5
200.03401	5.3
202.18695	2.0
218.04533	13.7
219.03079	2.5
236.05605	43.1
237.05908	3.0
392.09555	3.2
398.62521	2.2
410.10852	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	410.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.7
60.99176	1.7
65.51385	1.3
65.99715	1.6
67.01764	2.2
71.01249	2.6
72.99182	32.3
75.60657	1.2
76.92519	1.1
81.03347	1.2
85.02823	9.7
87.00739	6.5
93.03331	21.2
98.20548	3.4
109.02869	1.4
111.04385	4.0
113.02390	1.4
121.02838	2.7
123.04453	3.0
127.03913	1.7
129.01802	1.3
133.02867	2.3
135.04422	17.4
137.02341	6.4
137.05962	1.3
147.04454	6.1
148.03935	2.1
151.03972	1.6
160.03967	1.7
162.05557	7.5
162.61908	1.2
163.03925	1.9
165.05443	4.4
173.02316	2.7
173.04492	15.6
174.05519	5.8
176.03448	2.9
178.02753	1.2
187.82367	1.4
191.05542	100.0
192.05789	5.9
200.03499	9.9
218.01048	1.6
218.04504	14.2
219.02943	2.0
236.05602	37.3
237.05951	2.9
272.07800	4.5
354.42139	1.3
363.51263	1.4
392.09982	4.4
410.10922	24.6
410.15994	2.3
411.11148	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	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31837	0.5
59.01254	6.3
60.01593	0.6
61.98705	100.0
63.81406	0.5
71.01266	2.8
72.01579	0.5
72.99174	0.7
81.03362	1.0
83.04900	1.5
85.02846	0.7
89.02325	2.1
91.02811	0.5
96.95901	2.0
101.02340	1.9
109.02826	0.9
113.02325	1.2
119.03464	0.7
130.97612	0.5
135.04471	0.6
145.02875	0.6
145.84070	0.5
161.02377	0.9
161.13319	1.1
167.63663	0.5
172.68376	0.5
187.11182	0.5
191.05571	1.9
205.12402	1.3
210.08469	0.6
210.21451	0.5
251.75180	0.6
278.17081	0.8
352.02863	0.6
370.46487	0.6
410.21939	0.7
411.19958	0.8
411.27460	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	411.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01248	13.5
61.98705	2.0
65.47543	0.8
71.01255	12.5
72.88007	0.8
72.99190	1.1
73.02811	1.1
85.02824	11.8
87.00737	1.5
89.02319	8.4
93.03345	3.8
96.95894	2.2
98.68827	0.8
101.02318	5.1
103.03902	2.0
113.02319	4.3
115.07497	1.2
117.03344	13.6
117.21249	0.9
118.03583	1.0
119.03423	3.0
119.04913	50.4
120.05260	1.4
121.02831	3.5
131.04903	1.3
132.05721	3.4
133.06480	15.3
133.07460	1.1
143.03357	1.0
145.02859	100.0
146.03206	4.6
147.04387	1.8
150.41042	0.9
159.04373	1.3
161.04588	2.1
161.05986	37.2
162.03133	1.2
162.06389	1.2
163.03922	56.3
164.04268	2.7
177.05490	21.5
179.05513	2.0
187.03908	2.0
191.05519	3.8
205.05002	37.5
206.05345	2.6
227.07178	1.7
228.21780	1.0
235.06082	23.7
265.07169	38.7
265.09409	7.5
266.07480	3.9
307.08264	1.4
313.30063	0.9
325.09177	5.1
411.12881	18.7
412.13205	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	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37593	1.4
54.55291	1.4
57.03324	1.6
58.00477	3.1
59.01250	53.9
66.46307	2.2
69.35128	1.7
71.01257	39.7
72.01583	1.4
72.99174	4.3
73.02815	1.9
74.45893	1.5
81.03362	1.9
83.04895	6.1
85.02821	8.7
89.02320	31.1
95.01268	3.2
95.04911	4.3
96.95889	4.8
101.02314	16.2
101.57544	1.7
107.04894	1.8
107.08600	1.6
113.02322	22.3
119.03406	11.4
128.43077	1.7
147.11670	2.0
152.04736	2.3
157.06438	2.0
159.08076	4.6
159.11693	4.3
161.04483	3.0
161.13272	100.0
162.13603	6.1
175.11006	1.7
179.05533	2.8
185.09622	4.9
185.13297	7.0
187.11220	51.2
188.11584	2.4
203.14285	3.8
205.12288	99.4
206.12628	7.5
229.12299	21.6
229.58408	2.4
230.12614	2.4
231.10179	2.4
247.13304	5.1
249.11301	41.4
250.11591	3.9
366.25159	1.8
403.63107	1.6
411.15259	2.2
411.20370	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	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.4
55.07623	1.4
57.03316	1.8
57.49144	1.3
58.00464	3.0
59.01250	62.6
70.15080	1.4
70.30858	1.4
70.40844	5.2
71.01251	44.3
72.99207	2.8
73.02825	5.4
79.05417	2.7
83.00808	1.4
83.01266	4.0
83.04899	3.3
85.02815	12.2
87.00754	2.9
89.02322	34.0
90.65778	1.5
95.01262	4.2
95.04911	5.7
96.95893	28.8
98.20482	1.9
101.02335	24.7
101.05981	1.9
107.04909	4.6
107.08569	2.3
113.02335	27.7
119.03381	12.3
120.05665	2.0
121.89481	1.7
135.04317	1.8
143.08513	1.5
147.11737	2.3
157.10109	2.9
159.08057	4.9
159.11662	3.9
161.04451	4.0
161.09724	3.5
161.13268	100.0
162.13612	6.0
169.10168	2.7
171.08029	1.8
172.08815	2.4
179.05530	4.9
185.09634	4.9
185.13300	6.2
187.11221	52.4
187.14819	1.6
188.11536	5.3
203.14374	3.0
205.12282	88.6
206.12660	7.8
208.22629	1.5
229.12328	21.9
231.13834	2.9
247.13332	3.7
249.11288	46.2
249.14940	19.1
250.11555	4.5
250.15289	2.2
266.75461	1.5
331.24741	2.0
382.02344	1.5
411.20197	32.7
412.20145	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	411.2024
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
52.18860	2.1
52.67196	2.6
55.01758	3.3
57.03305	3.7
57.09045	2.1
58.00460	5.1
59.01252	100.0
60.40544	2.1
66.32333	2.6
71.01253	78.6
72.99173	7.5
73.02828	5.9
75.50983	2.3
83.01244	5.5
85.02818	20.6
87.00760	4.6
89.02319	70.2
93.81406	2.4
95.01260	4.1
96.95870	3.4
101.02319	54.5
104.18164	2.3
113.02324	26.5
119.03389	40.6
131.03406	2.5
161.04451	3.8
179.05621	2.5
187.14851	15.0
231.13933	15.3
249.14922	3.6
283.15567	2.7
299.01938	2.7
314.04013	2.9
373.43808	2.4
390.87109	2.9
397.70111	2.5
411.10925	6.6
411.20227	55.9
412.20526	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
70.10088	12.2
70.10447	4.0
78.95777	4.3
82.61230	3.9
98.20126	8.1
106.84448	3.4
113.39290	3.0
183.79523	3.4
229.45000	3.8
307.86603	3.2
398.76193	3.6
411.34134	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60839	1.3
51.64474	1.4
52.79649	1.4
59.01253	100.0
71.42036	1.7
85.76673	1.7
149.83687	1.9
156.10771	1.6
243.56458	1.5
293.60831	1.7
336.57690	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	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20457	1.5
57.03311	1.4
58.00473	1.7
59.01253	37.6
63.29060	1.4
63.47421	1.4
64.57508	1.4
67.21107	1.5
71.01260	26.7
71.54445	1.8
72.99188	2.1
73.02808	3.1
73.43903	1.3
79.95572	1.7
83.01268	2.6
83.04897	1.4
83.60970	1.6
85.02815	7.1
87.50071	1.3
89.02324	20.3
91.62092	1.5
95.01283	1.7
95.04934	1.5
96.95893	63.6
98.95470	3.5
99.04390	8.1
101.02325	12.8
107.04898	3.9
107.08611	1.5
109.06474	5.9
113.02351	15.6
119.03420	7.7
120.05701	1.6
121.06479	8.6
137.02309	2.1
143.03459	2.1
161.04449	4.2
163.07578	1.9
163.14761	1.8
179.05486	2.4
189.12787	25.2
207.13846	33.1
208.14241	2.5
229.16010	1.6
231.13921	7.0
233.11713	5.0
233.15485	2.0
251.03540	7.0
251.12881	100.0
252.13206	10.5
275.12897	5.1
317.14102	2.2
413.20132	58.0
414.20645	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	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77131	0.9
56.88838	1.2
57.03319	2.4
59.01253	37.6
65.76074	1.2
67.08774	1.2
69.47060	4.6
69.47475	3.9
71.01254	26.7
72.99176	1.9
73.02829	4.8
75.00797	1.2
83.01274	5.4
83.04912	1.3
85.02832	9.2
87.04406	4.2
87.44693	1.1
89.02322	12.7
93.03335	2.2
95.01270	3.5
96.95899	4.9
98.20548	1.5
99.00744	1.5
101.02329	15.2
113.02351	13.9
119.03415	3.7
121.06534	2.4
135.08086	5.6
137.02382	2.8
147.08083	1.9
161.04498	4.0
163.11234	1.8
163.14812	5.5
179.05524	1.3
189.12759	6.0
205.12363	1.6
207.13852	100.0
208.14153	9.0
226.53961	1.2
231.13701	6.3
233.11824	1.4
233.15442	4.0
235.13402	3.1
247.67961	1.2
249.14902	1.7
251.12924	73.4
251.16541	38.5
252.13226	6.0
252.16835	3.2
275.12958	2.6
293.13959	3.3
333.04422	2.3
413.21875	62.0
414.22260	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	413.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20129	0.3
58.00448	0.4
59.01255	5.8
70.68121	0.7
70.68473	0.5
71.01253	3.3
72.99157	0.7
73.02824	0.5
79.95615	2.0
84.38772	0.3
85.02830	1.3
89.02329	1.8
95.01292	0.4
96.95894	96.5
97.95819	0.4
98.95478	0.4
101.02332	2.1
105.13499	0.4
105.34749	0.5
113.02352	1.5
116.71254	0.3
118.28880	0.4
119.03373	1.1
144.90175	0.4
147.23419	0.4
161.04463	0.5
177.07156	0.4
189.12764	0.8
191.05664	0.4
191.79541	0.4
199.31258	0.4
207.13911	1.6
233.15471	0.5
241.77298	0.4
251.12898	2.5
251.16487	5.0
252.16855	0.5
297.07727	0.5
316.53903	0.5
381.92154	0.4
408.51019	0.4
413.20035	100.0
414.15500	0.7
414.20346	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.31339	1.1
62.98837	1.2
76.29951	1.2
98.20053	7.4
104.03393	1.2
143.89201	1.3
229.17390	1.5
304.96637	1.2
413.30536	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
70.88478	3.1
81.41537	3.3
196.66661	4.1
262.32297	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
51.17624	0.4
55.01749	1.1
56.71890	0.3
57.03325	0.8
58.00471	3.3
59.01252	67.4
60.01586	1.2
69.03320	0.8
70.94281	0.6
71.01256	58.9
72.01591	0.7
72.99185	3.7
73.02821	16.9
74.03184	0.4
75.00734	0.4
77.02334	0.4
81.03327	0.5
81.49406	0.3
83.01265	2.4
83.04874	0.3
85.02825	5.8
87.00748	1.8
89.02319	100.0
90.02645	2.1
93.58560	0.4
95.01272	1.2
96.95885	0.4
97.02821	1.6
99.00758	33.2
100.01109	0.6
101.02325	35.1
102.02676	0.9
113.02337	10.0
115.03916	1.0
119.03381	6.7
125.02342	9.5
125.05956	0.6
131.03398	15.2
132.03696	0.4
143.03398	2.3
149.04463	51.1
150.04753	1.3
161.04396	2.6
179.05557	2.3
188.25768	0.3
191.05547	14.5
221.06593	2.0
233.06622	0.6
251.07690	2.9
253.07199	1.4
283.11902	0.5
293.08667	0.6
327.74875	0.4
397.78769	0.4
415.16214	7.1
416.16296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.5
57.03316	3.6
58.00455	3.5
59.01254	77.8
60.01579	1.5
61.98702	0.9
64.18953	0.8
65.03812	1.1
69.03314	1.1
70.52641	2.6
71.01254	60.3
72.99181	5.4
73.02823	9.2
75.00729	0.9
81.03314	1.4
83.01266	4.8
83.04932	1.6
85.02829	15.9
87.00743	3.0
89.02319	45.7
95.01248	5.6
96.95873	3.0
97.02830	1.2
99.00748	3.8
99.04405	1.1
101.02325	42.5
107.08539	1.9
111.00690	1.2
113.02325	21.3
113.76849	0.8
119.03391	21.6
124.01526	1.6
125.02327	3.5
127.03886	1.3
131.03401	1.9
143.03401	1.9
149.99483	1.8
161.04472	5.3
168.00545	3.6
179.05490	2.5
191.05504	1.6
235.13295	2.4
253.14445	1.3
415.19650	100.0
416.20111	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.41114	2.2
57.03330	4.0
58.00467	2.7
59.01250	100.0
71.01256	27.4
71.25182	3.1
72.99175	3.3
73.02808	4.8
83.01261	4.5
85.02847	5.5
87.00736	3.4
89.02310	25.3
91.50869	2.1
96.95869	4.8
101.02316	17.6
113.02322	13.1
119.03390	8.0
125.02335	3.1
127.59976	2.1
139.00171	2.6
142.07132	2.5
161.04495	6.9
179.05568	3.3
191.05536	8.6
373.18286	4.1
415.19482	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.0
69.34099	0.7
71.54137	1.0
74.98975	5.7
77.00538	71.9
78.00872	1.5
147.08038	2.2
149.09601	1.5
155.64876	0.9
161.09589	0.8
163.11217	1.9
187.11205	3.4
188.11578	0.8
259.02243	0.7
279.14032	1.0
309.22217	3.0
322.19504	0.8
337.21719	100.0
338.22040	15.0
338.28278	0.8
415.23138	11.8
416.23233	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	415.3222
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
54.87639	0.5
59.01252	2.1
66.88873	0.5
71.01267	0.7
84.00630	0.7
89.02280	0.7
90.40720	0.6
111.02374	0.6
118.76352	0.6
122.62703	0.6
129.57764	0.8
135.04306	0.6
213.26027	0.6
229.22945	0.9
287.47836	0.8
397.31320	0.8
415.32217	100.0
416.32538	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	416.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91055	3.2
52.91481	4.0
59.01239	4.3
59.39127	4.0
61.31535	3.2
61.98689	12.8
69.30850	13.5
69.31276	17.2
85.02834	8.6
86.33869	4.2
102.88902	3.4
121.02765	4.4
191.03972	7.9
191.05560	100.0
267.94632	4.0
342.57031	3.7
353.08826	8.3
371.50504	4.5
395.00739	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	417.0833
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01254	5.7
59.85493	0.5
64.82077	0.6
69.35368	4.6
75.00742	0.7
77.55109	0.6
77.84757	0.5
80.17506	0.5
85.02839	0.8
89.02319	1.3
93.03368	0.9
93.54337	0.6
96.95905	0.6
99.41255	0.6
101.02325	1.1
107.04956	1.2
113.02351	1.3
119.03397	0.8
125.02345	1.3
149.05980	2.8
151.00296	2.0
163.00262	0.6
166.02684	0.7
174.76544	0.8
183.04410	1.4
195.10211	1.3
207.31250	0.7
211.03926	1.3
227.03471	68.1
228.03827	5.6
229.04987	1.6
239.03439	0.6
243.03041	0.8
255.02992	92.4
255.10201	3.3
256.03519	14.1
257.04370	0.7
284.03284	78.4
285.04004	27.4
286.04352	1.9
327.05035	0.9
417.08301	100.0
418.08633	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	417.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60550	0.4
59.01257	19.9
60.01562	0.5
60.06620	0.4
61.94053	0.4
71.04896	1.8
71.54613	0.5
72.99176	0.5
73.02828	1.0
75.00761	0.6
83.01273	0.7
85.02810	0.8
89.02334	0.5
93.03355	0.6
95.01268	0.6
100.86207	0.4
101.02338	1.2
103.42977	0.4
104.22224	0.4
104.92966	0.4
107.01274	0.6
113.02335	1.4
117.03378	0.6
119.03360	0.8
125.02347	0.5
132.02109	0.8
133.02840	0.4
135.00816	0.4
145.02850	1.1
151.00334	2.2
151.11209	1.4
153.01927	0.6
159.04422	0.6
161.02328	1.5
163.00348	0.5
165.01807	0.5
180.19273	0.4
183.04456	1.3
191.05504	0.6
195.10216	12.1
196.10609	0.5
211.03880	1.8
211.07564	0.5
227.03473	67.6
228.03796	5.9
229.04970	1.5
239.03508	0.7
241.05293	0.6
249.28288	0.5
255.02988	86.4
255.16023	0.8
256.03534	13.3
257.04440	1.1
284.03287	80.2
285.03946	21.1
286.04425	1.9
327.05136	1.1
417.08279	100.0
418.08615	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.7
70.29152	2.0
70.73098	1.9
71.01231	3.5
71.53182	2.4
75.00751	31.8
81.29446	1.9
86.40639	2.2
108.02055	88.4
109.02863	28.6
110.03178	2.6
123.00803	2.1
152.01070	86.3
153.01675	4.8
187.76411	2.1
191.05569	4.1
223.53828	2.1
241.07300	2.3
308.45740	2.3
341.10767	6.3
417.10391	100.0
418.10660	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	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12807	1.0
50.68671	0.9
59.01243	2.1
66.92248	1.0
69.82771	3.6
71.01249	3.8
73.02842	1.4
85.02834	3.6
95.01287	2.2
108.02058	53.7
109.02872	18.2
123.00768	1.9
151.03897	3.0
152.01062	100.0
153.01454	5.5
161.87280	1.2
163.03911	2.1
191.05566	3.9
241.07133	3.1
285.06186	1.7
417.10388	50.6
418.10791	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33413	1.6
55.82458	1.7
59.01251	13.7
67.01775	3.8
69.03355	2.7
69.95889	4.1
69.96281	4.0
71.01266	9.3
71.03335	1.9
72.99183	5.5
75.00764	2.1
77.03835	1.9
79.01785	2.3
81.03339	3.4
83.04906	2.3
85.02814	18.4
87.00769	8.5
89.02341	6.2
93.03340	27.8
95.01270	4.1
95.04931	3.1
97.02851	2.9
101.02318	5.2
105.03342	5.3
107.04878	2.4
109.02853	7.6
111.00758	2.0
111.04419	10.1
113.02339	2.3
117.03364	2.4
121.02847	27.5
122.03652	2.4
123.00773	7.1
123.04398	9.5
124.01553	4.5
127.03909	5.7
132.02026	2.6
133.02855	6.6
134.03627	21.4
135.04372	2.9
136.01602	3.1
137.02341	11.1
138.03192	4.0
139.03918	3.8
148.01544	16.4
148.77582	1.8
149.02341	24.2
149.05965	2.9
150.03114	7.1
151.03928	3.2
152.01064	2.1
153.01949	2.3
153.05440	9.1
155.03362	9.3
163.03906	17.7
165.01834	3.3
165.05463	4.3
166.02631	12.6
167.03432	8.4
173.04471	23.4
176.01086	2.2
176.82999	2.4
177.01904	2.6
178.02684	3.1
179.06984	1.9
181.04987	10.3
191.05547	100.0
192.00577	3.3
192.04268	3.7
192.05875	4.4
193.01389	3.4
193.04994	35.1
193.42987	1.9
194.05336	2.3
207.02875	3.8
208.03648	2.9
209.04526	5.7
211.02454	1.7
225.03970	3.6
243.04967	3.1
251.43224	1.7
366.09387	3.9
367.10251	17.0
383.09897	2.2
384.10449	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63722	0.6
55.01762	1.1
57.03318	1.0
58.00473	1.0
59.01251	100.0
60.01591	1.8
61.98702	1.0
71.01255	29.1
71.23568	0.6
71.53500	0.9
72.99194	2.4
73.02818	4.9
75.00775	0.9
79.20176	0.5
83.01266	1.7
85.02824	7.8
87.00781	1.7
89.02322	21.2
93.02522	0.7
93.03316	1.0
95.01282	1.8
96.95896	0.7
99.00777	2.1
101.02320	17.4
104.47388	0.6
111.04436	0.7
113.02334	12.5
119.03392	8.5
120.73328	0.6
123.04412	2.8
125.02393	1.8
131.03436	1.0
136.97520	0.7
137.21751	0.6
141.01860	0.7
143.03403	3.5
143.06894	0.7
147.31749	0.6
159.02985	0.9
161.04463	16.1
162.04800	1.0
163.09155	0.6
177.09131	5.7
179.05533	5.6
191.05557	2.7
194.53746	0.7
195.10265	1.6
205.03474	1.0
243.53322	0.8
257.82004	0.6
279.55734	0.7
319.04807	1.1
337.05508	1.1
357.15515	24.3
358.16074	2.2
378.38742	0.6
401.15140	0.7
417.17670	2.0
431.68063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98777	0.5
57.20471	0.5
57.85069	0.5
59.01258	100.0
60.01602	1.4
60.73298	0.5
60.75181	0.5
69.48418	0.5
70.65256	1.2
71.01277	1.4
75.00758	1.1
89.02361	0.7
101.02376	0.9
155.08023	0.5
163.05980	0.5
417.29041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74465	0.5
57.01357	0.5
59.01253	100.0
60.01602	0.9
71.01260	2.1
71.54251	0.5
75.00745	1.1
79.12087	0.5
85.02837	0.9
89.02315	0.8
96.95927	0.8
97.33309	0.5
101.02316	1.0
113.02306	0.6
121.02854	0.9
161.04491	0.6
191.05426	0.5
250.82515	0.5
253.14246	0.5
261.12210	0.5
273.26566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38771	0.3
55.01760	4.3
57.03329	5.5
58.00475	3.1
59.01254	58.0
60.01581	0.9
67.01758	0.3
68.99692	0.3
69.03318	0.9
71.01256	100.0
71.34428	0.5
72.01599	1.7
72.99186	4.5
73.02822	24.1
74.03177	0.6
75.00743	2.1
81.03331	0.6
83.01263	11.2
84.02029	0.5
85.02824	37.3
86.03157	0.6
87.00758	4.7
87.04387	2.7
89.02319	38.8
90.02662	0.9
95.01265	6.8
96.95895	0.3
97.02402	0.2
97.02852	2.0
99.00089	0.4
99.00758	10.5
101.02325	66.2
102.02667	1.7
111.00769	0.5
112.01564	0.5
113.02335	40.5
114.02679	1.1
119.03394	16.3
125.02354	2.2
125.09602	0.4
129.01874	1.5
131.03397	1.6
139.00313	0.3
143.03403	5.6
149.04472	1.0
150.70432	0.3
155.10667	0.5
159.02907	8.4
161.04469	48.6
162.04790	1.5
167.10672	0.4
171.10159	0.4
179.05521	5.1
205.03496	1.6
215.12955	0.3
222.05807	0.3
237.68658	0.3
251.21368	0.3
255.19620	2.9
256.19843	0.4
330.65472	0.3
357.26425	2.2
389.29187	3.4
417.25000	36.9
418.25366	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03653	0.4
55.01762	4.1
56.03912	0.5
57.03319	3.5
58.00465	3.7
59.01252	83.1
60.01585	1.3
68.40656	0.4
69.03336	0.8
71.01254	100.0
71.41090	0.9
72.01596	1.5
72.99175	4.1
73.02818	18.1
74.03151	0.6
75.00749	1.4
83.01257	9.7
84.02058	1.2
85.02825	30.8
86.03189	0.9
87.00742	5.5
87.04386	1.8
89.02318	66.4
90.02678	1.2
95.01252	5.8
97.02848	1.4
99.00144	1.0
99.00757	8.4
99.04465	0.5
101.02325	70.4
102.02654	1.7
107.25341	0.5
111.00784	0.8
113.02332	43.6
114.02688	1.4
119.03393	28.1
120.03672	0.5
125.02336	2.1
129.01823	1.0
131.03381	3.5
143.03406	7.5
149.04439	2.3
159.02887	7.3
161.04462	39.9
162.04842	1.6
179.05551	11.7
179.14279	0.5
205.03465	0.7
228.59705	0.5
237.68756	0.5
255.19624	6.3
278.99915	0.6
417.24896	25.4
418.25214	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.8
57.03326	5.3
58.00471	4.4
59.01252	81.6
60.01579	0.5
67.74406	0.3
69.03313	0.9
69.41567	2.3
71.01255	100.0
72.01590	1.6
72.99184	4.8
73.02820	21.9
74.03148	0.4
75.00744	1.2
81.03329	0.6
83.01260	11.0
85.02825	38.1
85.99975	0.4
86.03172	0.8
87.00755	4.4
87.04391	2.5
89.02319	55.3
90.02667	0.6
95.01263	6.3
95.70171	0.3
96.01591	0.4
97.02811	1.9
99.00762	9.6
99.04366	0.3
101.02325	77.1
102.02659	1.6
111.00764	0.7
113.02333	41.2
114.02662	1.0
115.03887	0.5
119.03395	25.0
120.03764	0.6
125.02340	2.4
129.01839	1.3
131.03383	2.5
139.00275	0.5
143.02341	0.6
143.03409	7.5
144.03769	0.5
146.59920	0.3
149.04439	1.4
159.02893	7.6
161.04468	39.0
162.04822	1.2
179.05537	8.6
179.07147	0.4
189.52797	0.3
205.03468	1.1
236.85844	0.3
255.19630	3.9
417.24960	26.2
418.25302	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	417.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61106	0.5
57.39465	0.6
59.01251	1.3
64.18075	0.5
64.23098	0.5
69.24645	4.9
86.32483	0.5
89.02335	0.7
96.01585	0.5
105.06966	2.7
132.60449	0.6
359.38840	0.6
373.29721	0.9
401.24878	3.9
417.27982	100.0
418.28262	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51244	0.9
59.01246	2.9
67.01751	1.6
71.01244	2.9
71.09414	1.1
72.99191	6.9
73.08424	1.1
81.03345	1.6
83.04913	2.1
85.02825	9.2
87.00747	5.1
93.03332	13.4
95.01304	1.6
95.04887	3.0
97.02834	2.0
109.02838	6.6
111.04430	6.9
113.02355	1.2
114.24639	1.0
121.02799	1.0
125.02352	3.2
127.03876	3.0
137.02341	7.2
139.03902	4.1
141.01845	1.5
147.04446	1.0
153.01869	16.0
155.03418	6.1
157.92622	1.0
163.00127	2.5
165.01837	5.3
171.02838	1.1
173.04500	10.2
181.01335	2.6
183.02907	4.4
190.99786	3.5
191.05548	100.0
192.05878	6.3
201.03963	2.2
207.05002	2.0
209.00867	9.9
227.01991	8.7
227.04033	1.6
228.02940	1.7
234.95869	1.2
245.03058	1.1
247.04514	4.4
419.08490	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	419.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37824	0.8
54.12974	0.7
58.00482	1.9
59.01249	2.3
63.02262	1.0
65.00204	4.5
70.83430	1.6
75.83393	0.8
83.01264	2.4
93.03366	4.1
96.95862	2.2
100.55265	0.9
107.01292	7.8
109.02816	3.5
121.02876	1.6
123.00775	1.2
124.01582	5.5
136.01555	1.2
137.02414	2.2
145.02901	1.4
149.02390	4.0
150.03024	1.0
151.00294	35.7
151.03886	1.3
152.01079	11.6
153.05476	1.8
161.02348	1.5
163.03937	4.4
164.01070	0.9
166.02670	1.4
166.99892	1.0
169.01338	2.0
177.01883	17.4
177.05415	1.0
178.02493	2.3
178.99800	19.0
180.00171	1.3
181.05008	2.4
187.04019	1.8
192.04259	6.0
193.04997	2.7
195.06557	9.4
199.03981	1.5
203.03438	0.9
210.05264	1.8
215.03503	2.0
216.04225	2.3
217.04951	3.2
223.06059	1.5
225.07684	16.6
227.03450	3.8
228.03842	1.1
243.03018	4.1
244.03632	1.9
245.04445	2.9
255.03024	1.9
271.02554	3.3
272.03290	100.0
273.04028	42.4
274.04388	2.7
315.05042	1.4
415.35178	1.0
419.09863	28.0
419.22751	1.3
420.10144	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	419.0984
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01254	2.6
61.91587	0.3
63.70978	0.3
69.03313	0.6
71.01250	1.7
71.04903	0.4
73.02833	0.7
81.03339	0.9
83.01244	0.3
83.04906	0.8
85.02822	1.2
89.02322	0.9
93.03368	0.7
95.01257	0.7
96.95911	1.1
97.02816	0.3
97.06468	0.4
100.97059	0.3
101.02341	0.7
107.04935	0.3
108.02058	100.0
109.02899	12.8
110.03181	0.3
113.02332	1.0
119.03413	0.3
119.04910	0.4
121.02859	4.0
123.00784	0.7
123.04424	0.8
125.02325	0.5
127.29848	0.2
131.84109	0.3
133.02864	1.1
133.10077	0.3
134.03638	0.4
135.00768	0.4
135.04419	2.5
137.02327	0.8
147.04427	0.3
151.00287	2.7
151.03918	2.5
151.11218	0.7
152.01064	52.1
153.01860	17.4
154.02205	0.7
163.03929	1.3
165.01865	0.9
175.03946	0.8
176.04810	0.3
177.01866	0.6
179.03432	0.3
180.04193	0.3
185.06081	0.7
189.05466	0.4
190.06303	0.9
191.05457	0.4
191.07034	0.4
193.04996	0.6
194.05779	0.4
197.11842	0.6
205.08656	0.9
207.06541	0.4
213.11206	0.5
218.10732	0.4
225.04005	0.4
239.09346	0.5
257.07959	0.4
257.10388	0.7
258.08594	0.5
259.46579	0.3
263.66592	0.3
287.05685	2.0
292.14368	0.3
297.06027	0.4
304.21729	0.3
389.16141	3.1
390.16119	0.4
419.09833	57.2
420.10083	7.6
420.15176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1348
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01767	0.6
57.03324	0.8
59.01253	2.6
61.04821	0.4
61.98708	0.7
65.03857	1.0
71.01248	5.7
71.09648	0.6
73.02819	1.9
79.10921	0.4
83.01265	0.9
83.04887	0.7
85.02828	2.8
89.02324	0.6
93.03336	5.0
95.01284	0.4
95.04885	0.7
96.95885	0.4
97.02841	0.4
99.00760	1.0
101.02319	3.2
103.54128	0.3
106.04125	12.6
107.04917	32.3
108.02058	6.8
108.05254	1.3
109.02863	1.0
113.02316	2.6
119.04990	0.5
121.02848	5.7
124.34902	0.4
125.02338	0.4
135.04398	0.5
138.03151	2.3
147.04370	0.3
157.45503	0.3
159.02943	0.4
161.02400	0.4
161.04529	1.5
163.03873	0.6
165.05423	0.3
173.04492	0.5
191.05479	1.8
193.04880	0.4
211.07594	0.6
213.09160	100.0
214.09499	8.4
257.08179	72.5
258.08496	7.4
292.75290	0.4
392.81830	0.3
419.13525	4.1
419.18365	0.6
420.13794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
59.01257	100.0
69.51821	4.3
71.01256	7.3
71.04901	21.2
72.99193	2.5
73.02820	1.9
75.00755	1.7
82.41649	1.0
83.04903	4.9
85.02824	3.5
89.02308	5.2
89.68846	0.9
96.95897	2.8
97.06493	1.5
101.02346	6.4
113.02349	8.0
115.03903	2.0
119.03400	3.9
122.78422	1.0
151.11192	1.4
153.12761	13.9
161.04512	2.1
193.12326	1.2
195.10193	2.3
197.11784	72.5
198.12073	5.5
239.09232	5.2
239.12910	4.0
257.10312	6.9
258.10706	1.5
273.71185	1.0
339.11234	2.1
380.18799	1.1
401.91190	1.2
419.08887	1.3
420.14297	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	421.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30872	0.2
59.01255	2.3
67.52300	0.2
68.02513	0.2
71.01253	1.7
73.02807	0.7
75.00728	0.3
77.86076	0.2
78.95737	0.3
79.95610	4.1
83.01239	0.2
85.02825	0.9
87.00761	0.2
89.02317	0.3
90.96526	0.2
96.95892	100.0
97.02709	0.2
97.95807	0.4
98.20547	0.6
99.00763	0.3
101.02327	1.4
109.02829	0.2
110.97451	0.2
113.02343	0.6
119.04942	0.4
123.04458	0.4
125.02332	0.3
131.03319	0.4
137.02287	1.0
145.06512	0.3
150.03185	0.3
151.03848	0.3
159.02946	0.2
161.04471	0.8
179.10757	0.4
191.05539	0.8
199.13318	0.6
223.09612	0.2
225.42247	0.2
241.10695	0.6
251.07095	0.7
252.07893	1.1
252.87190	0.2
259.11877	0.5
259.19113	0.4
267.10349	0.3
289.07095	0.4
289.16595	1.2
289.19318	0.2
296.06775	0.6
308.06891	0.3
311.09305	0.5
333.00647	0.5
389.21246	0.2
421.06006	29.0
421.24377	1.2
422.06277	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	421.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26206	2.1
59.01252	35.5
61.98706	12.8
68.55750	1.9
71.01257	13.5
71.54578	2.5
72.99168	3.7
74.99007	2.1
75.00748	100.0
85.02785	3.4
87.00771	4.0
88.59669	2.2
89.02313	12.6
93.03340	2.1
96.95875	5.2
99.82216	2.0
101.02358	4.4
113.02346	6.1
119.03375	5.4
120.99526	12.3
125.02330	2.6
135.04436	2.2
149.99458	2.0
151.00313	4.8
155.10643	3.0
161.04466	4.1
166.00758	3.0
167.01184	2.8
177.88782	1.9
191.05533	12.1
201.88898	2.2
220.96265	2.2
223.09966	2.4
243.06500	2.2
333.00745	2.7
333.04303	4.1
334.04861	15.3
335.04346	2.0
421.07639	5.1
421.15833	10.2
421.28262	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	421.1873
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
57.03319	0.6
57.60359	0.5
59.01245	2.2
65.15258	0.4
69.03335	0.8
70.87614	1.0
71.01258	0.6
77.03962	0.5
81.03304	0.7
84.78669	0.4
85.02832	0.7
95.01272	1.0
96.95912	1.4
97.02827	1.4
108.02049	1.2
109.02853	5.4
111.04415	0.8
117.03330	0.6
119.04947	1.0
124.01559	7.2
125.02354	11.0
133.06436	0.6
135.04405	0.8
136.01591	1.4
137.02350	32.9
138.03148	11.9
139.03928	14.0
140.01033	0.7
145.02856	1.8
147.04431	1.3
149.06062	0.9
150.03137	1.3
151.03918	10.0
152.04727	6.8
153.01907	0.6
153.05530	2.8
159.04343	1.0
161.02318	1.1
161.06120	0.7
162.03172	3.2
163.03937	4.4
164.04729	2.6
165.05492	2.8
166.02634	1.2
167.07060	0.5
170.02156	1.3
173.05901	0.5
175.03931	3.9
176.04776	3.3
177.05502	10.6
179.03506	2.6
179.07050	0.9
180.04202	9.9
181.05016	12.2
182.05345	0.7
184.03683	2.4
187.03943	0.6
188.04677	1.1
189.05482	1.8
190.06296	1.6
191.05577	0.9
191.07086	2.4
193.04988	1.7
194.05798	8.4
195.06575	27.6
196.06927	1.7
203.07079	0.6
205.05058	0.9
205.08649	1.2
206.05809	1.6
207.06575	6.5
208.07224	0.8
209.08183	5.4
210.08627	0.9
221.08234	0.8
236.06822	0.5
237.07646	1.3
240.83577	0.6
253.10826	1.2
276.85254	0.5
276.93973	0.5
294.99570	0.5
330.11121	0.6
331.11511	0.6
343.11841	0.8
361.08859	0.9
361.12918	9.1
362.13260	1.3
373.12866	0.6
375.14377	2.2
391.13989	12.5
392.14325	2.1
406.16336	33.1
407.16611	4.1
421.18710	100.0
422.19092	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.0
69.57904	4.8
78.95780	31.9
80.96388	3.1
98.19795	2.1
98.20384	2.4
110.98420	51.8
122.64252	1.0
146.02794	1.1
148.56296	1.1
152.99490	4.9
175.87102	1.0
185.02139	100.0
186.02400	2.5
253.21712	25.8
254.22070	1.7
421.23401	2.7
421.29446	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	422.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44707	2.9
57.03316	13.8
58.31113	2.7
59.01238	7.3
60.92830	2.8
67.72954	3.3
69.48270	17.8
71.01250	6.7
74.98724	3.3
83.01264	4.5
85.02840	3.8
93.03331	7.9
96.67387	3.4
96.95868	4.6
120.99523	3.4
124.01579	3.6
125.00587	6.5
125.02341	69.0
135.04337	5.0
145.02823	6.2
149.02295	4.0
150.20555	3.3
151.00282	8.7
152.01137	4.2
153.00053	19.6
153.01917	5.3
161.02441	4.3
164.99995	3.7
173.02365	6.9
173.04524	6.5
175.00276	10.7
178.99817	11.7
180.99585	43.6
187.03880	8.3
191.05547	17.5
192.99661	3.4
207.01163	33.7
208.99081	81.0
211.03918	7.2
215.03409	5.2
216.04187	9.2
218.00917	3.3
231.01198	22.7
240.04178	9.4
241.26717	3.3
242.02103	3.9
249.02281	23.0
255.03030	5.2
256.04068	3.5
257.04715	3.3
273.02289	16.1
275.00269	4.0
283.02505	30.5
284.03162	3.9
285.04019	13.9
296.02411	4.0
317.01248	100.0
318.01648	8.5
342.04465	14.0
404.04459	55.1
422.14526	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	423.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	13.8
59.01245	2.1
61.98701	3.3
81.03337	1.6
83.01256	4.0
96.95889	3.9
107.01263	1.5
120.99541	3.5
121.02869	3.3
124.01506	1.8
125.00537	3.5
125.02341	63.5
145.02802	1.9
147.00795	2.9
147.04404	1.7
149.02336	3.7
151.00305	8.9
152.01006	3.8
153.00082	21.7
153.01375	1.9
153.01859	1.8
154.00424	1.8
155.01596	3.1
161.02303	2.0
162.98441	1.6
163.00316	1.2
163.99315	1.5
165.00082	3.7
169.01326	2.3
169.02792	1.7
171.04436	1.7
173.02391	8.8
173.06161	1.3
175.00287	10.3
175.03905	10.5
176.00996	3.0
177.01735	1.3
178.99779	10.7
179.01378	1.8
180.99576	45.2
181.99956	3.5
183.01111	6.9
183.04448	3.6
184.04762	1.7
187.03943	7.8
188.04602	1.6
190.98047	2.5
197.02342	4.0
198.03061	2.5
199.03958	6.2
201.01849	1.6
203.01616	4.8
206.00291	1.8
207.01149	42.6
208.01466	3.1
208.99089	79.0
209.99358	3.7
211.03958	9.6
212.04672	4.0
213.01778	1.6
214.02643	1.4
215.03389	10.1
216.04225	11.1
217.04924	3.7
221.02699	2.2
227.03539	3.0
229.04988	1.4
230.00252	1.5
230.98967	2.0
231.01169	29.4
231.03325	1.2
232.01514	2.5
232.03746	1.3
232.99071	3.7
235.00729	1.8
239.03419	4.8
240.04231	7.4
241.05016	8.3
242.02107	1.4
242.05536	1.2
243.02834	4.6
245.02629	2.2
249.02254	31.3
250.02525	3.0
255.00851	3.5
255.03302	8.5
256.03622	2.9
261.04034	2.3
261.07983	4.3
273.02237	20.9
274.02557	1.8
275.00195	5.0
283.02472	37.1
284.03137	11.3
285.04025	47.1
286.04352	2.7
289.01740	2.2
295.02866	2.0
297.00702	8.1
299.00208	4.2
301.03348	1.9
317.01239	100.0
318.01538	9.4
335.02402	4.1
344.40118	1.4
345.87653	1.3
405.02838	86.1
406.03143	9.7
423.03864	6.4
423.08698	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	423.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
63.35053	0.2
71.01253	1.0
71.04892	0.5
71.54677	0.2
71.55102	0.3
73.02824	0.4
75.00748	2.7
76.50249	0.3
79.95610	5.5
83.22560	0.2
85.02836	0.4
89.02333	0.4
96.95891	100.0
97.95842	0.4
98.95470	2.3
98.96287	0.4
101.02323	0.5
104.07176	0.3
110.97468	0.5
113.02363	0.4
117.03342	1.7
119.04899	0.6
121.02842	0.5
123.04351	0.3
137.02330	0.6
141.05516	0.3
145.02863	7.9
146.03261	0.3
146.08154	1.9
163.03925	0.6
185.08089	0.4
191.05498	0.3
201.14888	1.1
217.12047	0.5
226.06412	0.3
239.07089	0.6
253.08595	1.9
254.09412	0.9
277.12268	1.5
281.08075	0.3
298.08438	0.5
313.10803	1.0
325.10727	0.4
341.10709	0.3
423.07535	33.7
424.07880	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	423.1122
Annotation	Shogasulfonic acid B
Peak:m/z	Relative Intensity
55.01932	0.4
59.01253	2.2
61.98677	0.5
69.03317	0.4
69.21883	3.0
69.22285	0.9
69.29786	0.4
71.01265	0.6
79.95611	52.1
80.59958	0.4
80.96394	3.9
81.03374	0.4
89.02323	0.8
93.03334	0.9
96.95907	1.1
107.80754	0.4
109.02840	2.7
113.02293	0.5
121.02840	10.0
122.03635	6.5
123.04446	2.7
124.01551	0.7
125.02306	0.5
134.03645	0.6
135.04420	1.5
136.05167	0.8
137.02351	0.8
149.06096	0.7
161.05930	2.4
162.06427	0.5
163.03923	2.3
168.04195	0.5
173.05952	0.5
177.05479	0.7
185.17276	0.4
189.05528	0.7
190.06290	2.0
191.07072	4.4
199.11551	0.5
203.07086	0.5
275.09280	1.1
291.17874	0.5
299.12906	2.1
313.10858	2.6
327.12375	1.0
328.13147	32.3
329.13486	3.4
343.15491	35.7
344.15848	4.4
363.11154	0.9
372.34631	0.5
390.25848	0.5
423.11194	100.0
424.11533	14.6
424.16415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2177
Annotation	Scoparic Acid C
Peak:m/z	Relative Intensity
55.51066	1.0
59.01248	1.9
71.54310	1.0
97.87634	1.1
115.92646	1.1
199.11172	1.3
207.11635	2.1
225.12843	7.7
238.57939	1.2
291.17532	1.3
305.19061	2.8
317.22696	7.9
335.23767	13.3
361.21747	13.3
379.22800	46.9
380.23126	4.4
423.21722	100.0
424.22110	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	423.2179
Annotation	(Z)-omega-Acetoxyferulenol
Peak:m/z	Relative Intensity
56.84021	0.6
59.01245	2.4
63.87121	0.8
68.40756	0.8
69.88541	1.7
69.88927	1.4
109.10891	0.8
115.69605	0.7
137.39471	0.7
304.41373	0.8
316.07629	0.8
351.19858	3.7
355.69327	0.9
379.22699	11.9
380.23187	1.6
383.32031	0.8
406.17679	0.8
409.61020	0.8
423.21753	100.0
424.22150	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.2
57.03326	6.3
58.00465	2.1
59.01253	34.9
68.99699	0.7
69.03328	2.4
69.43468	4.8
71.01254	68.1
72.01575	0.9
72.99170	3.2
73.02820	33.3
75.00734	1.5
75.62317	0.8
76.39009	0.7
83.01257	15.4
85.02823	35.9
85.99966	2.4
86.03162	0.8
87.00738	4.1
89.02319	13.9
95.01281	4.9
95.01881	0.6
95.02075	0.6
96.95902	4.3
97.02825	3.1
98.02291	0.8
99.00761	15.7
101.02325	70.0
102.02634	1.6
111.00748	1.9
113.02333	25.8
114.59190	0.8
115.03873	1.9
125.02363	3.5
125.59011	0.6
127.11167	1.1
129.01830	1.6
129.12727	0.7
131.03406	4.3
136.05246	0.8
140.21349	0.6
142.28191	0.6
143.03369	2.6
149.04457	1.9
155.19519	0.7
159.02908	4.8
161.04465	21.1
191.05591	0.9
199.13341	1.4
205.03494	1.4
232.53915	0.7
233.06615	3.9
284.27408	0.7
291.18140	100.0
292.18417	9.4
293.08905	0.9
335.16986	1.0
387.27408	0.7
391.28143	0.8
423.22342	88.1
424.22705	10.7
432.10663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.9
77.58793	1.3
82.51441	1.1
92.35046	1.3
195.89023	1.3
207.45395	1.2
363.23193	3.4
377.24875	2.0
379.21503	1.8
379.26434	40.8
380.26520	7.0
393.24130	6.4
423.25430	100.0
424.25775	17.0
448.95547	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	423.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	0.3
59.01251	3.6
59.77423	0.3
67.05347	0.3
71.04870	0.4
71.53800	0.4
78.34455	0.2
78.83194	0.3
79.09218	0.2
97.06451	0.5
99.04392	0.3
111.04402	0.5
117.18304	0.3
121.10094	0.6
139.07474	0.6
143.73085	0.3
178.87657	0.2
197.13318	1.3
199.14914	0.3
249.86671	0.2
273.90048	0.2
287.14810	0.3
295.20621	0.5
309.22354	0.8
319.24347	2.4
320.24142	0.5
321.36261	0.3
335.27521	0.6
363.23279	6.4
364.23471	1.2
365.21402	0.3
375.23254	2.5
377.24854	13.0
378.25192	2.1
379.26413	99.6
380.26749	16.3
391.22882	0.5
393.24332	13.2
394.24716	2.0
409.23975	0.4
411.25415	0.8
423.25412	100.0
424.25754	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	424.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.4
61.98705	100.0
69.38734	3.1
69.39162	4.4
75.00716	1.2
78.95787	3.7
79.95610	16.0
93.03345	3.3
95.95107	2.9
96.95892	28.8
134.04623	1.7
137.02318	5.0
148.88643	1.1
155.10667	7.0
199.09691	14.6
201.12770	3.7
203.10696	1.8
204.11502	9.9
215.15440	1.2
219.13857	9.9
263.12894	31.2
274.61859	1.2
344.12753	5.6
409.53992	1.0
425.09161	1.9
425.17459	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	425.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.2
59.01250	10.0
61.98711	11.1
70.24068	7.0
71.01266	11.2
73.02796	2.0
78.95767	7.8
79.95612	7.2
83.04920	4.2
85.02840	4.4
93.03322	2.9
95.04872	3.0
95.95094	3.1
96.95893	22.4
97.02838	11.1
97.06509	2.9
101.02339	2.4
105.06972	2.5
107.04904	6.3
108.05702	6.8
109.02825	7.7
109.06503	3.7
110.68854	2.0
111.04418	11.5
113.02324	6.0
113.05963	9.4
119.08569	3.2
121.06514	3.2
122.03648	8.3
123.04401	2.7
123.08047	7.1
125.05967	17.1
135.04398	4.5
135.08067	3.8
136.05182	13.9
137.05980	4.1
138.06767	15.1
139.07558	33.1
140.07936	3.6
148.05217	7.1
149.06012	3.4
150.02965	2.0
151.04002	2.2
151.07547	76.3
151.08755	4.9
152.04703	9.7
152.08348	33.1
153.09125	15.6
159.11673	4.9
161.09610	7.6
163.07585	11.3
165.01668	2.2
165.09132	2.3
167.00092	4.9
167.07050	4.4
179.03442	3.1
189.05482	3.8
189.09149	4.1
191.05473	6.3
201.12779	24.6
202.13177	2.7
203.10646	12.5
204.11491	48.9
205.11867	3.2
219.13858	75.5
220.14153	7.2
228.11531	3.7
243.13852	3.3
245.11765	12.6
262.24118	2.2
263.12875	100.0
264.13190	9.0
287.12918	5.2
305.13971	4.1
340.52908	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
58.00477	0.7
59.01253	28.4
69.35177	5.8
71.01258	21.0
71.04890	1.4
72.99174	1.7
73.02811	1.5
75.00759	1.2
76.91073	0.7
77.92974	0.7
78.95779	9.9
79.05412	0.9
83.01247	1.8
83.04896	1.1
85.02833	5.9
87.00743	1.2
89.02319	17.5
90.02659	0.9
93.03335	1.1
93.06989	2.0
95.01239	1.8
96.95902	4.3
99.00781	1.0
99.04406	1.2
101.02333	10.6
109.02837	3.3
113.02334	13.1
117.05457	1.8
119.03386	7.0
119.04888	1.8
119.08546	6.0
123.08057	1.1
125.05980	25.6
134.04611	2.7
135.04395	1.6
135.08080	1.4
143.08543	1.2
145.02853	2.6
147.08078	1.1
149.06001	1.8
159.11673	4.4
161.04443	2.4
161.05923	1.2
161.09639	2.2
163.03897	2.5
165.09131	23.7
166.09474	1.9
173.13463	1.0
179.03520	1.1
179.05482	2.0
179.10701	1.0
183.11790	0.9
185.09624	1.8
186.10468	1.3
188.08344	0.8
189.09166	2.0
191.05504	2.0
201.12793	82.4
202.10022	0.8
202.13097	5.3
203.10696	8.8
204.11513	14.7
205.11852	1.0
215.14368	0.9
217.12233	1.4
219.13864	100.0
220.14233	7.3
228.11589	1.4
230.09409	3.3
243.13907	5.4
245.11806	16.5
246.12207	1.2
253.02843	0.8
261.14932	2.2
263.12915	20.1
264.13205	1.8
272.10577	1.1
279.10828	3.4
287.12930	17.2
288.13367	1.7
305.14001	14.5
306.14493	2.0
317.13852	1.1
335.15118	1.7
365.16058	1.9
395.08194	0.9
425.09061	1.7
425.18292	22.6
426.18585	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	425.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
62.98785	0.2
71.01295	0.4
74.13898	0.2
78.95780	1.2
79.95614	2.0
85.40165	0.2
86.62312	0.2
89.02377	0.2
95.53629	0.3
96.95899	100.0
97.95844	0.4
134.04655	0.4
158.19945	0.2
174.87761	0.2
219.13852	0.8
221.88518	0.2
263.12833	1.3
273.45569	0.3
425.25827	60.1
426.26169	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	426.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93364	0.7
59.01245	3.2
64.85445	0.6
65.99711	0.9
67.01753	2.1
69.49765	4.9
71.01254	2.9
72.99183	10.9
81.03320	1.3
83.04892	0.7
85.02828	16.2
87.00769	6.3
88.62284	0.6
93.03338	15.2
99.04419	0.9
109.02828	4.9
111.04399	2.9
120.04475	1.0
121.02832	2.1
123.00767	0.8
123.04390	2.2
125.02320	1.8
127.03923	2.8
132.61743	0.6
135.04411	6.2
136.01584	0.8
136.03821	0.8
137.02345	8.2
138.05495	1.0
139.03935	1.8
145.02863	3.0
148.03958	1.4
149.02347	2.0
150.02924	0.8
151.03917	10.0
153.01839	2.0
155.03429	0.9
160.03946	2.4
161.02356	2.6
162.05484	1.6
163.03899	7.4
171.02959	1.9
172.03960	2.8
173.04475	9.8
176.03407	2.0
178.05032	10.4
179.03441	1.5
181.05037	0.8
189.01862	2.8
190.05028	4.5
191.05548	100.0
192.02975	2.2
192.05855	6.3
193.01357	1.3
206.04597	1.6
207.02979	1.9
216.02977	8.3
217.03403	0.8
230.06631	1.3
234.04021	10.3
235.02449	1.1
247.04596	3.1
252.05099	7.4
280.08908	0.8
358.26578	0.7
367.66833	0.8
397.87265	0.7
408.09454	2.1
426.10385	13.0
427.10522	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	426.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.8
65.58812	1.7
71.01228	1.7
71.54336	2.4
72.99186	5.3
73.77331	1.6
76.27348	1.6
82.08067	1.5
85.02824	7.1
85.79147	1.6
87.00762	4.3
93.03323	11.0
100.17399	1.8
109.02846	2.8
111.04398	2.5
119.04920	1.9
121.02834	1.6
127.03911	2.4
137.02359	4.4
148.03967	2.8
151.03958	3.7
160.03955	1.6
162.05611	1.8
163.03896	6.1
172.03963	4.0
173.04456	8.5
178.05070	8.3
179.03418	2.2
190.05051	3.4
191.05539	100.0
192.03033	3.6
192.05913	6.1
207.03140	2.6
210.55133	1.7
216.03032	10.6
230.06583	2.5
234.04051	11.5
247.04594	2.3
252.05115	6.0
321.68774	1.8
408.09378	3.1
426.10397	10.1
427.10870	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	426.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71957	1.7
53.84806	1.5
59.01265	7.4
67.50029	1.7
69.55942	9.9
71.01254	2.4
72.99191	6.9
79.81717	2.1
85.02818	13.7
87.00757	5.6
93.03320	12.4
98.19794	2.8
109.02818	3.5
111.04401	3.0
117.34521	1.8
123.04408	1.5
127.03927	2.0
131.03360	1.6
135.04413	4.5
137.02362	5.9
140.20602	1.7
145.02840	3.0
148.03908	2.8
151.03900	5.8
153.01834	1.7
160.03981	2.9
161.02364	1.7
162.05508	3.5
163.03944	3.9
172.03920	3.6
173.04474	9.5
178.04988	6.5
190.05040	4.3
191.05551	100.0
192.05939	4.8
207.05159	2.1
216.03021	8.9
227.33060	1.7
234.03995	14.2
235.11848	5.8
247.04535	3.7
252.05188	7.7
263.12109	1.8
408.09348	3.2
426.10507	13.9
427.69598	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	427.1978
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
57.03328	13.3
59.01256	17.0
69.20231	3.2
69.20650	5.6
71.01257	11.3
73.02817	3.2
75.00706	1.1
81.03379	1.1
83.01269	1.8
83.04908	5.1
85.02827	4.1
86.91771	1.0
87.00745	1.0
89.02333	10.8
93.03342	2.1
95.01266	1.8
95.04914	1.8
96.95893	5.8
97.02825	1.7
97.06477	9.8
99.00768	2.0
101.02338	5.8
102.68769	1.0
104.61801	1.0
107.04910	2.0
108.02058	2.6
109.02824	1.7
109.06490	1.4
111.04409	22.4
111.05138	1.8
113.02324	4.7
115.03890	1.3
119.03439	1.2
119.04986	1.3
121.06431	1.5
123.04405	1.7
123.08084	1.3
125.02370	3.4
125.05985	9.8
133.49202	0.9
135.04445	1.8
135.08101	1.7
138.06792	10.8
139.07582	1.3
145.02850	2.0
145.10109	3.7
151.07576	2.0
151.11107	1.0
152.01074	3.6
153.09138	34.9
154.09453	2.3
160.11389	1.1
161.02376	1.3
161.04544	2.2
163.03926	2.6
165.09151	10.1
167.03481	5.1
173.04494	1.5
177.12808	1.8
179.07022	1.5
179.10703	4.4
187.11238	1.6
191.05533	6.0
200.76048	0.9
201.12802	1.1
203.10741	2.5
203.14359	17.1
221.15462	14.1
233.06616	1.9
245.15552	0.9
247.13402	2.8
265.14456	100.0
266.14835	10.7
289.14468	2.1
293.08820	1.4
406.87930	1.0
427.07443	1.1
427.15469	1.9
427.20090	2.8
442.96295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.19016	0.9
59.01252	7.5
69.27231	3.9
69.27660	4.3
71.01254	5.3
73.02814	3.3
80.34505	0.9
82.25992	0.9
83.04906	1.1
85.02820	2.8
89.02337	2.6
93.03353	1.1
96.95924	1.6
99.04400	13.8
101.02354	2.5
104.93137	1.0
113.02321	4.0
119.03384	1.2
123.08038	1.0
137.02435	1.4
153.40967	1.1
203.14340	7.9
220.56837	1.0
221.15424	49.5
222.15833	3.8
233.61882	1.0
247.13412	1.6
263.16364	1.2
265.14444	100.0
266.14764	11.2
289.14374	1.4
301.77997	1.1
307.15411	2.2
354.04141	1.0
427.19724	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.7
57.03340	1.4
58.00465	4.7
59.01252	83.6
66.76653	0.9
71.01257	67.5
72.01585	1.6
72.99178	6.0
73.02827	3.8
78.95809	1.1
81.03358	2.2
83.01249	2.2
83.04877	0.9
85.02825	12.5
87.00771	3.6
89.02319	72.9
93.03333	1.7
93.67487	0.8
95.01263	2.6
95.04903	4.0
96.95882	6.6
97.06480	1.1
99.00822	1.2
101.02323	33.5
105.07044	1.1
107.04910	1.4
111.53938	1.1
113.02335	24.0
119.03393	29.8
121.06490	5.0
123.04450	6.7
123.08050	100.0
124.08401	4.7
125.02340	2.9
131.03389	2.4
135.11714	2.0
143.03435	4.5
149.04451	2.6
161.02411	1.1
161.04489	3.3
161.09689	1.0
178.52626	1.1
179.05537	8.7
179.10707	9.8
185.14674	1.0
191.05534	2.7
203.14365	16.0
204.14713	1.0
221.15459	1.4
223.09703	4.9
239.04860	1.0
247.13370	36.3
248.13701	4.0
265.10794	4.1
265.14517	2.0
266.28073	1.0
311.21976	1.0
389.33310	1.0
427.18802	6.2
427.24243	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01242	1.6
55.01758	1.7
57.03314	3.1
58.00467	3.7
59.01253	92.3
60.01574	1.8
61.98678	2.3
69.28590	7.5
69.29002	4.5
71.01257	70.2
72.07050	1.5
72.99168	4.4
73.02812	3.1
81.03332	2.9
83.01250	4.2
85.02821	11.2
87.00741	4.6
89.02319	84.9
95.01260	4.7
95.04897	5.0
96.95902	8.8
101.02324	31.1
102.02654	1.7
107.04912	2.6
113.02341	26.5
119.03393	33.1
121.06487	6.6
121.86024	1.6
123.04475	7.1
123.08054	100.0
123.42430	1.4
124.08385	5.1
125.02372	2.2
131.03424	3.5
135.11696	2.7
143.03372	4.3
149.04424	3.0
161.04454	3.2
161.09618	2.0
177.12733	1.6
179.05536	8.5
179.10722	16.7
191.05566	3.1
203.14334	15.6
216.35219	1.8
221.15422	2.0
223.09708	5.6
247.13364	37.9
248.13605	3.7
250.37527	1.5
265.10742	5.4
265.14349	2.3
427.19400	6.5
427.24261	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55087	0.7
55.08918	0.7
59.01242	2.3
69.45502	0.7
78.78814	0.7
82.18445	0.7
98.19765	1.7
99.92454	4.5
100.93247	3.3
105.21362	0.7
115.91962	100.0
116.91965	5.1
116.92744	6.0
150.68665	0.7
172.95366	5.9
226.94719	0.7
429.19412	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	429.2131
Annotation	Dendroside F
Peak:m/z	Relative Intensity
57.03314	0.8
59.01252	100.0
60.01580	1.0
61.98696	0.5
64.60350	0.4
71.01256	10.0
72.99180	0.8
73.02839	1.5
75.78403	0.6
83.01284	0.5
85.02821	2.6
87.00771	1.1
89.02319	8.4
95.01313	0.6
96.95919	1.4
101.02314	4.8
107.07137	0.5
113.02337	3.1
115.00315	0.6
119.03397	2.7
119.85516	0.5
131.16527	0.5
161.04518	1.9
179.05542	2.5
191.05588	2.4
201.11389	0.5
267.16083	0.8
267.23254	0.5
273.62198	0.5
285.66980	0.6
386.05472	0.6
429.21320	7.6
430.21994	1.7
453.57608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45265	0.2
55.01762	0.3
57.03333	0.3
57.77941	0.2
58.00473	0.6
59.01257	100.0
60.01588	1.4
61.77684	0.2
71.01260	11.6
72.01611	0.2
72.99195	0.5
73.02822	0.5
83.01272	0.4
85.02834	2.1
87.00761	0.6
89.02325	16.3
90.02674	0.3
95.01286	0.6
98.20644	0.4
100.51526	0.2
101.02335	5.8
102.02689	0.2
112.20234	0.2
113.02344	5.1
119.03406	6.9
125.02364	0.3
131.03407	0.8
137.09639	2.0
143.03438	1.5
145.61581	0.2
149.04532	0.7
161.04485	2.2
172.75874	0.2
176.40767	0.2
179.05542	4.2
203.32573	0.2
282.32520	0.2
375.01456	0.2
429.20795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Dendroside F
Peak:m/z	Relative Intensity
57.03334	0.6
58.00462	0.4
59.01251	100.0
59.21420	0.3
60.01583	0.9
69.20922	3.7
71.01259	12.4
72.99191	0.6
73.02833	1.0
83.01299	0.6
85.02839	1.6
87.00788	0.6
89.02319	14.6
95.01269	0.5
96.95911	1.7
99.00788	0.4
101.02334	5.7
113.02328	4.8
119.03382	5.0
125.02434	0.4
131.03461	0.9
137.09673	0.9
143.03427	0.7
150.22260	0.4
161.04483	1.1
179.05510	2.8
267.16071	0.4
376.45413	0.4
429.15729	0.3
429.21213	7.4
430.21710	0.7
441.95096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Dendroside F
Peak:m/z	Relative Intensity
51.55880	0.5
55.01751	1.6
55.20750	0.6
57.03331	1.4
58.00465	2.4
59.01253	100.0
60.01610	1.2
61.69854	0.5
66.40522	0.5
70.56815	1.5
71.01256	33.8
72.99186	2.3
73.02819	5.1
83.01254	3.5
85.02826	10.5
87.00202	0.5
87.00764	2.2
87.04401	0.7
89.02318	28.9
95.01268	3.0
96.95884	1.3
99.00769	2.3
101.02324	21.5
105.81097	0.6
113.02336	12.4
119.03387	11.1
125.02328	0.9
131.03384	1.3
137.09570	0.6
140.95038	0.5
142.19339	0.5
143.03436	2.6
149.04527	1.1
155.10722	0.6
161.04451	3.9
175.24326	0.6
179.05551	3.4
179.62975	0.5
181.12303	0.8
191.05521	1.6
223.16919	0.7
249.15009	1.4
267.13043	0.5
267.16034	1.5
297.13339	1.1
429.21289	69.2
430.21655	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	41.4
71.01249	7.1
71.54326	1.4
73.02837	1.0
85.02814	2.9
89.02319	5.6
94.60435	0.8
99.00800	1.1
101.02328	3.5
108.02042	3.5
113.02347	2.1
119.04924	4.0
121.02835	1.3
123.03094	1.9
123.04424	5.1
124.01577	3.0
124.04749	1.0
125.02335	2.3
134.03590	2.3
135.04411	15.8
136.05222	9.2
138.01881	2.7
138.03061	0.9
138.05504	21.0
150.03185	1.1
151.03957	7.1
151.07579	8.5
167.26634	1.0
177.05449	1.3
178.85838	0.9
191.05557	5.1
195.06564	84.7
196.06921	5.6
269.10324	4.0
296.61139	1.0
431.15570	100.0
432.15820	15.1
449.92133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01252	100.0
60.01584	1.2
61.98718	1.5
63.78261	0.7
65.50195	0.9
68.11996	0.8
69.55736	4.1
71.01253	7.1
72.99202	1.1
73.02815	1.4
83.01273	0.8
85.02839	2.4
87.04407	0.9
88.98685	1.3
89.02321	7.0
92.03661	0.6
93.03367	1.2
95.01284	0.8
96.95907	1.4
99.00784	0.9
101.02310	5.4
101.34724	0.7
113.02328	3.3
119.03387	3.3
122.26349	0.6
129.06548	0.7
133.10190	0.9
135.11699	5.6
137.02359	1.3
143.03438	1.2
161.04463	1.3
179.05519	1.0
185.06133	0.9
187.07643	1.0
191.05641	1.9
209.11772	54.3
210.12166	4.0
211.04048	2.7
221.61938	0.6
227.03471	10.2
228.03879	1.0
229.05086	2.0
239.03551	2.3
251.13011	1.9
255.02972	14.7
255.05428	0.8
256.03625	1.8
257.08340	0.7
269.13983	1.4
269.17639	0.9
279.18246	0.7
284.03244	13.4
285.04041	19.9
286.04477	2.9
307.80530	0.7
371.20993	1.1
431.09622	12.7
431.22473	5.5
431.27957	1.0
432.10120	2.0
432.23535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98693	1.1
70.56192	2.2
70.56547	1.7
71.01260	10.9
72.86344	1.1
73.02834	2.5
78.95773	1.1
83.01299	1.4
85.02825	4.9
85.42238	1.2
88.98671	2.6
89.02330	7.5
93.03349	2.9
96.95912	1.8
101.02337	6.2
107.92715	1.1
113.02331	4.8
119.03386	3.2
125.02371	1.4
130.47559	1.0
135.11693	4.6
137.02391	1.3
161.04552	1.4
187.03934	1.4
191.05547	4.4
197.05948	1.3
209.11786	42.5
209.13802	2.1
210.12054	2.3
211.03954	20.4
212.04375	1.5
214.22418	1.2
227.03448	15.2
227.28242	1.0
228.03824	1.4
229.05084	2.5
239.03468	19.7
240.04121	4.0
251.12967	2.3
255.02980	21.0
256.03500	3.8
257.04529	1.6
265.08771	2.2
267.85242	1.1
268.03772	16.0
269.04346	4.1
269.14236	1.7
269.17596	2.8
284.03265	16.8
284.06235	1.8
285.04028	31.6
286.04211	2.0
353.24130	1.3
371.20569	1.3
431.09827	45.8
431.14883	6.1
431.22296	7.1
432.10080	7.6
437.24707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
62.96307	0.4
70.04897	0.8
70.05257	0.4
78.95779	71.7
90.76040	0.3
96.96848	6.0
97.40054	0.2
98.20269	0.6
100.19750	0.3
150.97923	1.6
152.99496	100.0
153.99797	1.3
154.43335	0.3
171.00604	2.4
211.31720	0.3
230.85236	0.3
277.21823	1.0
366.84378	0.3
431.21976	8.5
432.22482	0.9
434.51785	0.3
436.62726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81162	0.2
62.96265	0.3
69.36407	1.4
78.95777	52.9
96.96843	6.9
142.86433	0.2
150.97928	2.0
152.99501	100.0
153.99846	1.4
171.00560	4.2
277.21802	0.6
286.33267	0.2
289.91235	0.2
431.22031	4.2
432.22342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01747	2.3
57.03327	2.9
58.00458	1.3
59.01254	40.7
64.63110	0.5
66.26136	0.5
69.21918	2.3
69.22353	2.2
71.01255	39.0
72.01598	0.5
72.99174	2.6
73.02820	8.9
75.00742	0.9
78.95767	0.6
79.95592	0.6
83.01271	4.7
83.85420	0.5
85.02824	16.2
87.00743	2.0
87.04394	4.8
88.98674	1.4
89.02314	14.8
95.01263	2.8
96.95888	1.3
97.02816	0.7
98.19839	1.4
99.00753	3.2
101.02327	25.9
102.02061	0.6
111.75208	0.6
113.02332	12.9
119.03376	6.4
125.02318	1.0
137.02306	1.1
143.03433	1.2
148.13089	0.5
159.02887	2.0
161.04483	5.4
179.05550	1.0
191.05475	1.4
200.12283	0.6
227.03319	1.3
251.16522	2.5
255.02960	1.6
269.17575	1.5
284.03360	0.9
285.03851	1.6
287.22244	1.6
387.23801	1.1
431.22717	100.0
432.23105	13.0
445.09259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
57.10816	0.4
58.00465	0.5
59.01257	100.0
60.01601	1.1
60.97943	0.4
71.01259	7.1
73.02840	1.5
83.01266	0.8
85.02835	3.3
89.02325	7.1
95.01300	0.6
96.95931	0.7
98.20531	1.4
99.00812	0.8
101.02327	5.3
107.56878	0.4
108.36269	0.5
113.02338	3.3
119.03416	3.2
121.02833	0.5
127.99726	0.4
134.09245	0.4
136.01575	0.6
141.01384	0.4
143.03487	0.4
151.00290	0.7
151.03912	2.3
159.02975	0.8
161.04492	3.3
163.00279	0.6
175.03653	0.5
179.05533	1.8
183.04535	0.7
185.06027	0.5
187.03932	0.7
209.11819	0.4
211.03972	1.5
227.03471	26.8
228.03752	2.2
229.05099	1.6
234.26639	0.5
239.03470	0.6
255.02991	35.5
256.03473	5.1
257.04492	1.8
268.03894	0.6
269.17358	0.5
284.03281	35.6
285.04016	26.3
286.04492	2.6
311.09296	0.4
341.93112	0.5
357.13199	1.0
371.20752	4.2
431.09857	49.4
431.22705	20.7
432.10199	7.8
432.23050	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80407	0.2
59.01252	41.3
60.01588	0.4
63.02283	0.5
64.39628	0.2
65.00203	0.5
67.01744	0.2
69.30611	0.5
69.31026	1.3
71.01251	3.3
72.50741	0.2
72.99181	0.5
73.02823	0.5
73.45580	0.2
73.78958	0.2
83.01267	0.6
85.02826	0.8
87.00729	0.2
87.27977	0.2
89.02316	3.6
91.01759	0.3
93.03318	1.5
95.01280	0.4
98.20522	0.3
101.02319	2.2
107.01288	2.2
109.02846	1.5
110.03177	0.4
112.03892	0.3
113.02324	1.5
116.71059	0.2
117.03382	0.2
119.03407	1.1
123.00746	0.3
125.02317	0.4
132.02095	0.6
133.02806	0.2
134.92114	0.2
135.00787	2.2
136.01118	0.2
137.02344	0.3
138.01846	0.3
141.06989	0.3
143.03404	0.3
143.04964	1.0
145.02850	0.5
151.00252	1.1
153.01871	2.1
154.02162	0.7
154.04080	0.3
155.02393	0.7
155.04961	0.4
157.06505	0.6
159.04430	1.1
161.04485	1.0
161.05833	0.2
163.00291	2.3
164.01051	0.4
165.01785	0.4
167.04886	0.5
168.86414	0.3
169.01273	0.3
169.06505	0.5
171.04420	0.9
173.02396	0.2
173.05815	0.3
179.05577	0.7
182.03639	0.3
183.04483	1.6
184.05183	0.2
185.06032	1.6
187.03943	3.2
189.05486	0.7
191.05640	0.4
195.04492	0.6
196.05159	0.4
197.06027	0.8
198.22896	0.2
199.03867	1.1
200.04565	0.2
201.05501	0.7
211.03976	2.5
212.04482	0.4
213.05490	1.4
214.02620	0.5
216.45796	0.2
227.03453	50.0
228.03796	4.9
229.05020	10.5
230.05316	0.9
239.03447	2.2
240.04153	0.9
241.05023	1.3
243.02959	0.5
255.02971	70.4
256.03476	10.4
257.04520	6.2
257.08298	0.3
258.04877	0.7
267.02979	0.7
269.11374	0.4
269.14038	0.6
283.02463	0.4
284.03265	60.7
285.04013	100.0
286.04385	9.5
320.01907	0.3
327.05026	0.6
357.64365	0.2
371.20645	0.9
415.40829	0.2
431.09818	51.1
432.10156	7.7
432.16467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03413	0.6
56.41027	0.7
59.01250	36.0
60.01584	3.0
60.60803	0.6
61.01679	3.6
61.98703	100.0
65.58183	0.6
66.71215	0.7
69.27748	0.6
69.93990	2.9
71.01254	10.0
72.01567	0.7
73.02830	1.2
83.01243	0.9
85.02812	2.4
86.17369	0.7
87.00783	0.9
89.02322	7.9
91.02736	1.0
93.03343	0.7
95.20568	0.6
98.19920	1.0
101.02341	5.2
113.02351	3.8
119.03421	4.5
121.02853	1.3
125.02359	0.7
129.92348	0.7
130.08690	0.9
144.08369	0.6
145.02840	1.6
147.20842	0.7
151.00272	1.3
152.01074	1.4
159.04510	0.8
160.05220	1.1
161.04503	1.5
167.03325	0.8
175.07680	1.2
179.05531	1.7
191.05502	0.9
243.02852	0.8
254.02107	1.1
255.03056	1.7
268.42944	0.8
269.11429	1.1
269.22333	0.8
271.02563	5.7
271.06229	3.4
271.19196	0.9
289.02112	0.7
300.02765	10.2
301.03644	4.2
301.06812	1.0
329.13977	5.4
367.25555	0.7
381.96509	0.8
433.07840	7.0
433.24417	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	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
62.70247	0.3
63.02261	0.7
65.00204	1.8
69.66841	0.7
69.67232	1.0
77.60031	0.4
83.01280	0.7
91.01730	0.6
93.03317	0.5
107.01273	3.1
108.02046	2.0
109.02861	2.4
121.02849	2.5
124.01525	0.5
135.00763	1.4
136.01678	0.3
139.03868	0.4
148.01616	2.5
151.00273	10.8
152.00656	0.5
155.04977	0.4
158.03612	0.5
159.04449	0.6
163.00287	4.1
164.01006	1.1
169.01410	0.4
174.03142	0.4
178.99774	5.6
183.04485	0.7
185.05974	0.5
187.03918	0.7
190.99925	0.4
192.00504	0.6
198.03154	0.5
199.03983	0.9
201.01999	0.5
203.03481	0.5
211.03946	1.8
215.03435	1.2
216.04239	1.2
226.02693	3.2
227.03435	5.3
228.03960	1.1
229.05005	1.1
239.03464	0.4
242.01973	0.5
243.02965	18.4
244.03430	1.8
245.04518	1.7
254.02136	3.5
255.02968	34.0
256.03345	2.6
267.07507	0.4
271.02475	79.8
272.02902	8.4
273.03973	1.0
283.02521	1.3
299.01898	1.8
300.02744	100.0
301.03476	65.2
302.03897	5.2
343.04385	0.5
433.07742	64.7
434.08038	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	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03156	0.3
51.14006	0.2
56.70115	0.3
59.01249	3.7
61.65836	0.3
63.02269	0.3
65.00214	0.6
67.03265	0.3
71.01259	0.4
83.01254	0.5
89.02342	0.3
107.01299	1.0
108.02060	1.0
109.02848	0.6
121.02847	0.8
135.00700	0.4
148.01547	0.8
151.00264	4.9
152.00545	0.3
161.04424	0.3
163.00253	1.5
164.01042	0.4
178.99799	3.2
183.04433	0.4
199.03885	0.4
203.03493	0.5
206.43695	0.3
215.03510	0.7
226.02660	1.2
227.03493	1.8
227.07082	1.1
229.05130	0.3
235.11143	0.3
243.02948	6.6
244.03435	0.6
245.04427	0.8
254.02193	1.6
255.02957	16.6
256.03351	1.4
262.89130	0.3
271.02481	39.6
272.02896	3.8
273.03809	0.5
283.02454	0.5
299.02042	1.2
300.02734	100.0
301.03412	34.7
302.03821	2.1
313.07175	0.9
343.08206	0.3
371.51706	0.3
373.22110	0.3
433.07718	71.5
434.08054	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.2
61.98688	0.7
63.02264	2.8
65.00193	5.8
65.04845	0.4
70.18491	1.1
71.01262	2.3
83.01259	3.8
85.02799	0.7
89.02311	2.0
93.03332	7.1
96.95908	0.5
98.19923	0.5
99.95663	0.4
101.02323	1.4
101.23563	0.4
107.01278	12.8
109.02837	0.5
113.02320	0.8
117.03395	0.4
119.04920	35.3
120.05269	1.6
121.02854	0.8
125.02354	1.6
131.01320	0.7
135.04416	0.4
137.02330	0.4
145.02863	0.9
149.02325	1.4
151.00276	41.9
152.00618	1.9
161.02393	0.4
164.01085	0.6
165.01840	2.3
169.01331	1.5
175.00334	1.9
177.01865	5.8
178.99785	0.9
179.03456	0.4
179.05467	0.4
185.05960	0.9
191.05550	0.6
193.01324	0.7
211.03958	0.4
227.07082	0.8
243.02946	1.2
255.02946	2.4
269.04535	0.8
271.06119	100.0
272.03723	0.4
272.06454	9.5
295.06113	1.7
300.02814	5.2
301.03534	12.4
302.03870	1.0
313.07358	2.0
353.08823	0.6
433.07370	6.1
433.23904	0.7
434.08508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09314	0.4
57.03333	0.9
59.01253	39.0
60.01574	0.6
60.99197	0.4
61.47466	0.4
61.98700	3.8
63.02272	3.4
65.00198	11.7
66.00531	0.4
71.01257	8.5
71.54451	0.6
72.99184	1.0
73.02809	2.4
81.03338	0.4
83.01260	9.3
85.02852	2.7
87.00765	1.0
89.02330	4.5
89.72005	0.5
93.03332	5.4
95.01279	1.2
96.95885	0.8
99.00729	0.6
101.02328	5.5
101.05982	0.7
107.01276	18.4
109.02847	1.2
113.02326	2.6
117.03345	1.3
119.03420	1.4
119.04918	34.8
120.05260	1.9
121.02808	0.8
125.02352	4.4
133.02873	0.5
137.02328	1.2
143.03448	0.7
143.04901	1.4
145.02858	3.9
149.02298	0.4
151.00278	64.8
152.00623	2.5
161.02394	0.4
161.04451	2.1
161.05972	1.3
165.01846	6.3
169.01352	4.9
175.04036	0.4
177.01874	4.8
177.05496	0.6
178.02463	0.4
179.05531	0.8
185.05998	2.5
187.03929	3.6
191.05637	0.6
192.66191	0.4
193.01292	0.9
193.04874	0.4
199.07509	0.5
200.74174	0.4
225.05373	0.4
227.03543	0.5
227.07077	4.1
229.05113	0.5
253.04955	0.9
255.03020	1.5
269.04581	0.6
271.06122	100.0
272.06436	9.8
286.03949	0.5
300.02768	4.3
301.03430	2.4
301.16479	1.5
307.20578	0.4
313.05630	4.1
343.11551	0.6
358.14063	0.5
363.48709	0.4
373.16614	1.0
373.22098	1.0
378.10828	0.5
384.17957	0.5
391.23380	1.6
403.14163	0.5
415.27164	0.4
433.11600	9.4
433.20068	1.6
433.28439	0.8
434.11526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03328	1.3
58.00455	0.6
59.01252	38.7
60.01603	0.8
60.35069	0.4
61.98705	2.6
63.02271	3.7
65.00198	11.3
69.03349	0.7
70.56075	1.1
71.01252	9.3
71.01620	0.8
72.99181	1.1
73.02809	2.9
81.03350	0.6
83.01257	9.3
83.01720	0.8
85.02839	3.7
87.00755	0.8
89.02303	5.5
93.03346	5.9
96.95906	1.1
97.02835	0.6
99.00761	0.6
101.02316	5.9
107.01273	20.8
109.02834	0.7
113.02313	3.0
115.79520	0.4
117.03352	0.9
119.03422	1.7
119.04919	39.6
120.05260	2.0
121.02841	1.3
122.05852	0.5
123.04411	0.5
125.02338	4.6
130.85135	0.5
133.02893	0.6
137.02348	1.7
143.03355	0.8
143.04933	1.8
145.02858	5.9
149.02361	0.8
149.05956	0.6
151.00279	69.3
152.00583	3.3
157.06575	0.6
161.04492	2.0
161.05968	1.4
165.01862	6.9
169.01326	5.8
177.01862	5.6
179.04051	0.5
179.05484	0.6
184.05249	0.5
185.06024	3.2
187.03946	4.0
188.04338	0.6
191.05493	1.1
193.01358	0.7
197.11813	0.8
207.06586	0.6
227.07071	4.2
229.04994	0.5
253.05048	0.6
255.02919	1.5
269.04346	0.8
271.06113	100.0
272.03351	0.8
272.06433	9.3
277.85461	0.5
300.02676	4.2
301.03476	2.0
301.16525	2.1
313.05460	3.9
358.14175	0.6
373.16431	0.7
373.22394	1.0
391.23389	1.7
403.14200	0.6
433.11765	8.2
433.20123	1.8
433.28452	0.8
434.11615	1.4
434.17560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14040	0.7
53.80158	0.9
57.03345	1.0
59.01252	100.0
60.01591	1.4
61.98706	1.5
62.07294	0.7
69.39070	6.0
71.01255	14.7
73.02823	18.7
83.01259	6.3
85.02829	3.8
87.00746	1.0
89.02324	6.3
101.02324	20.5
107.01287	0.9
110.48380	0.8
113.02346	8.3
119.03400	2.5
125.02367	1.2
131.03397	2.5
135.04471	2.1
143.03432	2.0
148.07048	0.9
149.04509	3.7
151.00316	2.4
161.04451	5.8
179.05609	0.9
191.05563	1.0
236.47495	0.8
255.02934	1.3
271.02588	2.3
271.19330	0.9
287.05563	1.6
300.02667	3.9
301.03513	2.5
305.10297	0.8
325.52753	0.8
357.68314	0.9
394.87970	0.8
433.07837	2.1
433.28638	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14040	0.7
53.80158	0.9
57.03345	1.0
59.01252	100.0
60.01591	1.4
61.98706	1.5
62.07294	0.7
69.39070	6.0
71.01255	14.7
73.02823	18.7
83.01259	6.3
85.02829	3.8
87.00746	1.0
89.02324	6.3
101.02324	20.5
107.01287	0.9
110.48380	0.8
113.02346	8.3
119.03400	2.5
125.02367	1.2
131.03397	2.5
135.04471	2.1
143.03432	2.0
148.07048	0.9
149.04509	3.7
151.00316	2.4
161.04451	5.8
179.05609	0.9
191.05563	1.0
236.47495	0.8
255.02934	1.3
271.02588	2.3
271.19330	0.9
287.05563	1.6
300.02667	3.9
301.03513	2.5
305.10297	0.8
325.52753	0.8
357.68314	0.9
394.87970	0.8
433.07837	2.1
433.28638	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.51104	0.2
59.01247	0.2
62.96256	0.3
70.84602	0.4
78.95777	52.4
83.92095	0.2
96.96843	6.0
96.97494	0.3
98.20019	0.3
108.50808	0.2
116.96166	0.2
128.52774	0.2
139.55171	0.2
150.97923	1.5
152.99490	100.0
153.99796	1.5
156.25540	0.2
159.52347	0.2
168.84906	0.2
171.00563	3.9
181.65216	0.2
271.61621	0.2
279.23270	1.3
433.23590	4.8
434.23859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.46887	0.2
59.01265	2.3
62.96289	0.3
68.86690	0.2
71.01302	0.2
78.95785	70.6
96.96259	0.5
96.96852	5.7
98.20538	0.7
100.20166	0.2
107.15313	0.2
115.09024	0.2
129.89104	0.3
150.97943	1.2
152.99509	100.0
153.99828	1.7
171.00594	3.0
279.23270	1.5
341.14368	0.2
369.26175	0.2
433.23627	10.9
434.23969	1.7
440.61459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
61.98709	100.0
62.98420	0.4
71.01275	0.4
71.34191	0.4
76.01904	0.2
78.87580	0.2
81.86874	0.2
96.73768	0.2
125.02336	0.8
165.09178	1.6
168.00642	0.2
209.08160	6.6
209.10056	0.4
210.08469	0.4
211.13423	0.7
212.13736	0.6
232.46721	0.2
242.96190	0.2
251.08937	0.2
361.12756	0.2
371.13687	0.8
375.22241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41143	0.6
57.03304	0.7
59.01250	14.7
61.98700	5.4
63.09000	0.6
65.03865	0.9
71.01253	3.6
73.02824	1.1
81.03343	1.5
83.01263	1.1
85.02839	3.2
89.02309	0.9
93.03336	62.8
94.03679	2.1
95.01263	1.8
96.95892	1.2
98.20580	1.5
101.02325	1.9
105.95549	0.6
107.04919	0.8
108.02053	60.2
109.02853	24.0
110.03165	1.5
113.02359	2.0
119.04887	0.9
121.02830	1.1
123.00752	1.1
123.04424	2.4
125.02306	1.8
135.04353	0.8
135.08012	0.6
137.02345	100.0
138.02670	3.9
147.95105	0.7
151.03923	1.9
152.01060	88.4
153.01855	37.3
154.02184	1.5
161.02316	0.8
163.03868	1.4
165.01938	1.1
167.03410	4.3
189.49304	0.7
191.03381	1.2
191.05479	1.0
195.02992	0.9
207.02927	0.6
223.11903	0.6
273.07678	5.3
274.08096	0.9
297.06097	22.4
298.06458	2.1
315.07205	19.0
316.07532	2.3
375.20221	2.6
435.09305	98.0
436.09619	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	435.0933
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
57.03306	1.1
59.01253	9.0
61.98703	6.8
68.84544	0.6
69.03075	0.5
69.03333	5.6
71.01253	4.9
71.54215	0.5
72.31954	0.6
72.99187	3.7
73.02805	2.0
75.00731	0.8
78.08780	0.6
79.01751	0.7
79.05405	1.4
81.03317	2.1
83.01278	3.0
83.04905	2.9
85.02834	2.7
87.00735	2.4
87.04416	0.7
89.02306	2.3
93.03359	2.7
95.01256	2.2
95.04896	1.1
96.95869	1.6
97.02835	3.9
97.06516	0.8
101.02324	2.8
103.61529	0.5
104.90054	0.5
105.04714	0.5
107.01253	1.4
108.02011	1.4
109.02831	5.4
113.02309	2.9
117.03271	0.6
117.16975	0.5
119.04941	1.3
120.99554	4.4
121.02835	8.6
123.00778	8.7
123.04401	4.5
124.01568	22.4
125.02341	65.3
125.05936	0.8
126.02661	1.6
133.02838	0.7
135.04387	0.7
136.01604	0.8
137.02327	3.2
137.05878	0.6
145.02861	1.8
147.04378	0.8
149.02357	0.8
149.09616	1.1
149.99495	38.7
151.00272	4.0
151.03885	2.3
161.02376	1.3
161.04475	1.6
163.03862	0.7
165.01805	0.7
167.03485	1.3
168.00558	65.2
169.01324	6.2
177.01866	7.1
179.03349	0.6
187.03889	1.4
189.01863	7.6
190.02620	2.8
191.03442	1.6
193.01335	0.8
195.10252	1.0
203.03461	1.1
216.00566	1.8
217.01396	6.1
218.02058	1.1
219.02913	2.5
227.07133	0.6
231.02914	1.6
241.13570	0.9
251.11830	0.9
271.06183	2.7
273.07162	0.7
273.09784	5.4
281.04559	2.3
285.12460	0.7
289.07272	0.7
289.16519	1.6
297.07745	1.4
311.05603	1.0
313.05658	2.5
313.11917	7.0
313.98889	2.4
314.12122	0.9
314.99600	1.9
329.01147	1.1
341.06656	24.7
342.06998	2.4
347.02194	3.0
347.10779	1.6
416.74695	0.6
417.08325	4.0
435.09305	100.0
435.29037	2.9
436.09680	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	435.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17285	0.6
51.78782	0.6
53.37179	0.7
59.01196	5.1
60.82023	0.6
61.98702	14.5
65.15668	0.6
71.01211	1.4
72.99126	0.9
80.27879	0.6
80.92145	0.6
81.03307	1.0
85.02805	0.8
87.00713	2.4
88.00244	0.6
89.02286	0.8
90.91571	0.6
93.03342	11.1
95.04854	1.3
96.95823	2.4
101.02271	1.0
102.19499	0.6
103.05411	0.7
107.04881	0.9
108.02020	1.5
109.02843	18.8
113.02278	1.2
117.03275	2.8
119.04903	3.0
121.02776	2.0
122.03602	0.9
123.04417	17.0
124.01517	1.3
125.02354	3.8
133.02795	2.4
135.00754	1.1
135.04384	0.8
137.02295	1.2
145.02858	10.4
146.03116	1.0
147.04396	5.0
149.02283	1.1
149.99432	1.8
150.03111	1.3
151.03894	9.0
159.04375	1.6
161.02261	2.8
161.04533	0.6
161.05937	1.1
162.03049	1.0
163.03908	1.3
168.00578	3.9
175.03964	0.8
176.01004	1.0
177.01848	25.7
178.02142	1.5
179.03374	0.6
187.03841	2.8
189.01854	56.2
190.02591	13.9
191.03435	12.2
191.05206	1.4
199.13397	0.9
200.13715	0.8
203.03481	7.8
203.25713	0.8
216.00562	7.7
217.01372	39.8
218.01952	3.4
219.02927	13.2
229.22804	0.7
231.02957	12.2
232.03520	2.0
233.04445	1.4
241.04990	2.1
241.20715	0.7
269.04391	1.5
271.06104	3.6
273.07404	1.3
273.09833	1.9
281.04523	2.3
283.06042	1.8
289.07159	4.1
297.07843	1.2
311.05594	5.3
312.05847	0.9
323.05658	1.5
341.06641	100.0
342.06982	10.0
349.61737	0.7
392.71301	0.8
435.10748	35.7
435.30286	1.5
436.11087	4.8
440.28818	0.8
448.61200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Phloridzin
Peak:m/z	Relative Intensity
51.18776	0.3
51.81076	0.3
52.59576	0.3
57.03319	1.5
59.01253	0.9
65.00217	0.9
67.01794	0.3
69.88808	0.3
71.71309	0.3
78.67022	0.3
81.03329	7.8
83.01262	3.2
86.32269	0.3
93.03340	6.7
94.03701	0.3
98.20543	1.0
99.04398	0.4
107.01275	1.2
119.04919	8.3
120.05262	0.4
123.04415	26.3
124.04744	1.0
125.02343	13.8
135.04402	1.2
135.39658	0.3
139.03909	0.3
147.04411	0.3
149.02351	1.7
151.00296	2.2
166.02643	0.3
167.03415	79.4
168.03769	4.1
179.03426	8.2
187.07504	0.4
189.05534	1.6
191.03432	1.1
229.08633	0.9
255.06654	0.8
273.07681	100.0
274.08026	9.7
297.07764	0.5
315.08505	0.4
319.90353	0.3
435.12534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Pterosupin
Peak:m/z	Relative Intensity
54.85368	0.5
56.97643	0.4
57.03298	0.8
59.01260	2.4
60.05833	0.4
67.01744	0.6
67.89278	0.5
68.99689	0.8
69.03310	0.7
71.08126	0.8
81.03326	6.5
83.01253	2.3
83.67502	0.5
88.50008	0.5
89.02313	0.6
93.03329	3.4
94.17198	0.5
95.04890	6.5
97.02839	2.8
99.04382	3.3
105.49813	0.5
108.02010	0.5
119.04922	4.4
120.99543	0.6
121.02861	0.9
121.06512	0.5
122.03631	0.8
123.04427	10.0
125.02338	12.0
137.02325	2.1
137.05977	6.8
139.03871	2.0
143.51472	0.5
149.06030	0.9
151.00304	0.6
151.03915	0.7
163.00304	0.6
163.03799	0.7
165.05478	3.4
167.03409	24.4
168.03746	0.8
179.03403	5.0
181.05066	0.5
189.05511	3.3
191.03447	0.6
193.05016	0.8
197.04456	1.9
206.02129	0.6
209.04491	6.6
221.04570	1.3
221.08206	1.1
239.05467	0.8
273.03036	0.5
273.07632	5.4
285.07660	1.8
300.02527	0.6
302.03510	0.8
303.03995	0.7
313.11963	0.8
315.08737	100.0
316.09045	10.7
327.08640	1.6
345.09778	24.8
346.10013	2.0
357.09741	1.2
399.10748	0.5
417.11838	1.8
423.98926	0.6
435.08002	0.8
435.13092	4.8
435.29712	0.8
436.13403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1509
Annotation	Eleganoside C
Peak:m/z	Relative Intensity
51.76135	1.4
55.01750	2.4
57.03329	6.5
58.00459	3.7
59.01250	51.4
60.01608	1.5
61.98697	9.4
63.53133	1.2
67.01764	1.6
68.99697	2.2
69.03329	19.1
70.94411	1.9
71.01255	31.9
71.04891	4.5
72.01581	1.8
72.99182	77.1
73.02818	12.8
74.38365	1.4
75.00753	11.6
79.05404	21.8
81.03323	9.3
81.80033	1.5
82.23722	1.3
83.01249	2.1
83.04900	51.5
84.02054	1.7
84.05229	2.6
85.02836	13.4
87.00737	11.2
87.04393	5.3
89.02319	27.8
93.03344	3.0
95.01238	2.2
95.04903	10.3
96.95882	5.4
97.02837	5.6
97.06471	16.8
98.03612	4.5
99.00772	2.5
99.04420	8.3
101.02313	15.6
105.01254	1.4
107.04926	6.6
109.06448	4.7
111.00688	1.7
111.04362	2.6
113.02335	28.5
113.05990	1.7
115.03907	19.3
116.04223	1.4
117.03361	1.4
119.03391	10.4
119.04874	3.4
121.02875	2.1
121.06470	4.0
123.04435	4.0
123.08052	3.6
125.02349	5.1
125.05971	11.1
127.06436	1.4
129.01775	2.0
131.08578	2.8
135.04431	1.4
137.05991	4.9
137.09648	7.9
139.03949	2.1
139.11150	1.9
141.05453	4.4
141.09070	2.8
143.03439	1.4
145.02864	8.3
146.03197	3.8
147.03381	2.7
147.08038	4.1
149.04478	1.8
149.09628	31.2
150.09985	2.9
151.11197	4.4
161.04491	1.5
165.05478	2.0
165.09134	4.7
167.03421	5.7
167.10670	5.3
177.09082	3.4
181.08629	2.4
183.06502	3.4
191.05457	3.2
193.08636	7.5
195.10216	18.7
196.10545	1.6
211.09628	3.8
255.08826	6.7
257.19678	1.4
273.09796	100.0
274.10117	7.7
304.18134	1.3
309.08881	2.0
313.33350	1.5
356.64349	1.6
435.15839	9.9
435.29770	9.5
436.15482	1.5
440.31015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.5
57.03333	4.3
58.95148	2.5
59.01254	66.9
61.98706	28.0
69.03316	18.7
70.13658	8.5
71.01260	35.8
71.04883	5.8
72.99184	85.1
73.02818	19.9
75.00746	18.9
79.05412	20.2
79.54103	2.3
80.15432	2.6
81.03333	7.9
83.04905	49.5
85.02818	13.0
85.31101	2.4
87.00757	13.0
87.04397	4.5
89.02323	27.0
93.03362	3.7
95.01276	5.0
95.04930	7.7
96.95890	7.6
97.02816	6.8
97.06456	16.3
98.03646	5.7
98.20522	3.2
99.04417	5.2
99.28974	2.7
101.02338	14.7
107.04913	7.2
109.06468	4.5
113.02335	31.6
115.03907	19.7
117.03336	3.1
119.03401	6.3
119.04900	6.0
123.04404	4.7
123.08044	6.6
125.02348	7.7
125.05969	10.4
129.01797	4.6
131.08539	3.8
134.10118	2.4
136.66426	2.4
137.05966	4.2
137.09602	6.9
139.03914	4.0
141.05501	6.2
145.02849	8.4
146.03232	5.8
147.08076	5.3
149.09637	33.6
151.11201	6.2
161.04416	3.1
165.09087	3.3
167.03424	13.1
167.07013	3.6
167.10616	4.9
175.07530	3.2
183.06535	4.6
193.08736	5.6
195.10204	15.5
210.27824	3.1
211.09750	4.3
255.08728	6.9
273.09805	100.0
274.10126	4.5
295.00873	2.8
309.08780	3.9
435.15097	10.5
435.29282	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
56.63619	0.2
57.03309	0.4
59.01252	100.0
60.01592	1.4
61.98694	1.1
70.94628	0.4
71.01254	4.9
72.99211	0.3
73.02820	2.4
75.37093	0.2
83.01262	1.1
85.02824	3.4
87.00748	0.3
88.33070	0.2
89.02324	0.6
93.03363	0.5
95.01274	0.5
96.95896	0.3
99.00755	0.9
101.02321	5.8
108.02070	0.6
109.02850	0.3
111.00745	0.2
112.50030	0.2
113.02328	2.9
114.02684	0.3
119.03387	0.2
120.99569	0.5
125.02380	0.3
129.01851	0.3
131.03517	0.2
137.02351	1.1
143.03401	0.5
152.01083	1.0
153.01839	0.4
159.02922	0.8
161.04474	3.8
167.03473	0.2
195.78302	0.2
256.01334	0.2
273.07736	0.3
273.11520	0.2
273.20947	0.2
274.58597	0.2
297.06345	0.3
375.20218	11.5
376.20688	1.4
419.19440	0.5
435.09238	1.2
435.21732	0.3
435.29709	0.8
436.09705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.52937	0.8
58.00463	3.4
59.01258	75.8
61.98705	9.1
69.03341	1.4
71.01261	65.3
71.54173	1.1
72.01618	1.2
72.99171	3.4
73.02827	18.6
79.33287	0.7
83.01263	2.8
85.02843	9.3
86.17020	0.8
87.00753	2.1
89.02328	100.0
90.02663	2.1
95.01270	2.1
96.95273	1.5
96.95903	25.9
97.02828	1.8
99.00774	27.8
100.01117	1.6
101.02336	42.1
113.02348	16.5
115.03997	1.1
119.03402	12.5
125.02352	4.3
128.83340	0.9
131.03418	18.4
143.03409	2.6
149.04480	55.2
150.04846	1.4
153.93321	0.9
161.04446	4.3
161.82944	0.8
179.05569	3.8
191.05569	15.2
220.35660	0.9
221.06590	1.8
233.06635	1.0
251.07780	2.5
337.18124	1.0
373.25916	1.2
435.21487	24.9
435.29468	5.0
436.21344	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	435.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
60.01597	1.2
66.34103	0.3
69.23403	0.2
69.23767	2.2
71.01263	4.0
73.02827	1.3
83.01271	0.7
85.02825	1.9
89.02332	0.9
95.01295	0.3
96.95895	0.5
98.20514	0.5
99.00790	0.7
101.02330	3.3
113.02350	1.7
119.03520	0.3
128.96584	0.3
159.02989	0.4
161.04478	2.8
173.04424	0.3
174.28346	0.3
191.05650	0.5
236.26797	0.3
237.20581	0.3
290.02838	0.3
323.51538	0.3
343.29285	0.3
375.23898	7.0
376.24466	0.9
413.43423	0.3
419.22900	0.6
435.29938	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	435.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74902	0.1
57.03330	0.5
58.93431	0.1
59.01237	0.3
59.98391	0.1
65.03825	0.2
67.01752	0.1
67.05405	0.2
69.03330	1.0
71.04885	0.4
71.53444	0.1
79.05402	0.4
80.02560	0.1
81.03316	0.2
83.04899	4.0
85.06461	0.2
86.83311	0.1
93.06989	0.1
95.04897	0.2
97.06474	1.7
99.04387	0.4
105.06982	2.5
107.04929	0.4
111.04426	0.1
112.45296	0.1
121.06499	0.5
121.10088	0.3
123.08052	9.7
124.08362	0.4
130.66083	0.1
133.06532	0.1
133.10143	0.1
134.07214	0.1
135.08037	0.3
136.48473	0.1
138.06760	0.4
139.06725	0.1
139.07561	1.1
143.08572	0.3
145.10123	0.3
149.09610	0.1
153.07004	0.1
161.09630	0.2
169.06419	0.2
169.10115	0.1
171.11668	0.1
173.09726	0.1
177.09120	0.1
187.11188	0.1
195.11758	0.1
199.11189	0.2
209.09627	0.4
210.10309	0.1
210.75385	0.1
211.11195	0.3
211.14771	0.2
221.13397	0.1
223.11223	0.1
223.14882	0.7
225.12801	0.3
225.16374	0.1
227.14436	0.2
227.18088	0.1
229.15964	0.1
237.12740	0.1
237.16467	0.3
239.14464	0.2
239.17986	0.7
241.15915	0.1
241.21849	0.1
242.09451	0.2
247.14925	0.6
248.15349	0.1
249.16356	0.5
250.13666	0.1
251.14279	0.2
251.18175	0.1
253.16119	0.2
253.19533	0.3
255.17603	0.2
255.21066	0.2
263.18134	0.9
265.15921	1.1
266.16605	0.3
267.17419	0.4
271.20657	0.2
277.19598	0.1
279.17795	0.2
279.21173	0.8
280.14661	0.3
281.02728	0.1
281.19092	1.6
281.22690	0.5
282.19489	0.2
295.20847	0.1
295.24359	0.3
297.18622	0.2
298.15656	0.8
299.20190	1.4
300.20477	0.1
305.19107	0.6
307.20859	0.2
307.24249	0.2
309.22467	0.1
311.20004	0.2
319.24414	0.2
321.22296	0.2
321.25827	0.3
323.20227	0.2
323.27362	0.2
325.21729	0.2
333.22037	0.2
333.25864	1.6
334.26227	0.3
335.23746	0.4
335.27454	0.2
336.24368	0.1
339.19745	0.8
340.20148	0.2
343.24323	1.6
344.24716	0.2
347.23685	0.2
347.27444	0.4
353.25061	0.1
357.25983	0.3
361.25351	4.5
362.25827	0.8
363.23434	0.2
363.30563	1.5
364.31070	0.3
365.24792	0.3
373.24280	0.1
373.28955	2.3
374.29333	0.4
375.26871	0.3
377.24948	0.3
379.22693	0.1
379.26718	0.1
380.23935	0.2
387.23276	0.2
389.28778	0.2
390.29092	0.1
391.30151	7.0
392.30688	1.2
403.22870	0.1
405.24396	1.3
406.24622	0.2
407.29568	2.0
408.29767	0.3
417.28006	3.1
418.28116	0.5
419.25568	0.2
433.27371	0.4
435.29031	100.0
436.29373	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15203	0.3
57.03323	13.1
57.88451	0.3
59.01254	2.7
65.00201	0.6
68.00496	0.3
69.60723	1.1
69.61131	0.6
71.01262	0.3
81.03327	1.9
83.01260	3.5
96.95881	0.9
98.19878	0.5
105.26935	0.3
107.01276	0.7
120.99481	0.5
124.01549	1.1
125.02338	100.0
126.02680	4.1
151.00278	2.6
151.99265	1.0
152.01076	3.1
153.01831	0.9
154.00870	0.4
163.99295	5.0
178.98300	0.5
178.99794	2.6
179.01648	4.1
179.98819	5.4
180.00322	0.6
180.01974	0.4
195.01141	5.0
206.00365	1.0
207.98296	1.9
211.03879	0.4
221.02699	2.0
223.00658	3.9
231.98315	0.5
232.99046	0.6
247.00571	0.4
248.01440	1.1
257.04599	0.4
263.03714	1.0
265.01733	0.5
272.01468	1.0
276.24576	0.3
282.01620	1.9
283.02457	3.2
284.02701	0.4
288.01077	0.5
297.04041	7.9
297.99216	0.4
298.04355	0.8
305.04959	3.3
306.05206	0.5
316.00378	1.2
317.00919	0.3
331.02802	16.2
332.03192	2.0
349.03802	3.4
350.04352	0.4
419.04474	1.9
437.05438	10.5
437.23279	0.5
438.05627	0.9
456.47220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30881	1.3
53.65955	1.2
57.03322	11.9
59.01045	1.1
59.01255	12.5
60.01565	1.3
65.00196	2.5
68.47270	1.3
71.01244	5.0
71.33929	2.2
72.99181	2.4
75.00742	1.9
81.03319	4.0
83.01248	5.6
85.02824	3.2
89.02302	4.8
91.00273	2.0
93.03345	3.4
95.01267	8.0
95.04916	3.3
96.95882	4.0
97.02808	2.6
99.04394	2.1
107.01256	5.5
109.02840	2.2
111.00750	3.1
113.02306	2.1
119.03438	2.6
119.04931	3.9
120.99560	3.2
121.02849	1.4
123.00768	5.3
123.04450	6.3
124.01567	11.7
124.04723	1.9
125.02342	100.0
126.02660	5.5
127.02772	2.0
135.00818	1.4
137.05981	4.1
139.00273	1.5
147.04391	1.6
149.02373	2.2
151.00276	31.3
152.01064	31.4
153.00087	2.6
153.01376	1.8
154.00897	11.3
155.01523	1.7
165.01852	8.2
165.05524	2.8
167.03397	14.1
167.98744	3.3
168.03792	7.7
169.01288	2.6
169.03929	6.3
178.99792	38.3
179.03308	2.3
179.98755	5.8
180.00186	1.9
182.00339	4.7
183.01118	1.3
185.99797	3.1
191.05588	4.8
193.05116	1.3
195.01112	3.6
197.02701	4.5
203.01744	1.7
206.00195	2.3
207.02829	2.2
207.98302	6.9
209.04457	2.5
210.04863	2.1
211.05107	2.2
215.03426	1.6
219.01215	1.7
220.01767	1.7
223.00668	13.9
224.01459	3.1
227.03416	2.4
229.05028	4.5
239.03783	1.6
245.02698	3.2
247.00609	5.9
248.01422	6.9
249.99435	2.2
255.03018	2.8
261.02313	2.5
262.03152	2.6
263.03787	3.0
272.01617	1.8
275.08298	2.2
283.02472	7.1
287.03989	2.5
288.00891	2.8
290.02579	17.0
291.02902	3.0
297.04074	2.4
305.04944	13.2
306.01950	5.6
311.02414	2.3
315.08807	8.3
316.00436	36.5
316.08926	9.2
317.00787	2.9
317.09326	28.6
318.09445	2.2
321.04510	6.9
331.02826	55.9
332.03131	5.0
345.09512	1.9
346.09756	1.6
347.10260	9.1
349.03870	69.0
350.04260	7.9
353.03415	2.0
419.04388	15.8
420.04669	2.8
437.05386	41.0
437.13910	3.3
438.05634	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	437.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97015	0.2
59.01256	0.3
69.48770	1.0
79.95623	1.9
96.95891	100.0
97.95834	0.4
98.19823	0.3
100.70352	0.2
108.72286	0.2
141.12796	0.2
185.11694	0.6
227.03587	0.2
297.24344	0.3
305.19522	0.3
309.24295	1.0
325.23953	0.4
327.25394	5.9
328.25797	0.6
339.25327	1.6
357.26447	15.7
358.26810	1.6
407.21127	1.6
437.22128	66.5
438.22452	8.7
438.28604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2332
Annotation	Arisugacin F
Peak:m/z	Relative Intensity
51.97341	0.4
59.01249	0.6
59.54526	0.4
71.04903	0.6
71.08987	0.9
83.04896	0.7
85.02872	0.5
88.98653	0.5
98.20158	0.5
109.85617	0.4
111.04353	0.4
123.44913	0.5
169.06398	0.4
191.05556	1.0
193.10417	0.4
221.13312	1.1
265.90308	0.5
289.92331	0.5
305.19275	0.8
309.80197	0.5
321.18674	0.7
323.20187	0.6
329.22980	0.9
331.24228	0.6
337.21863	0.8
345.22269	0.6
361.21783	1.8
363.23187	2.5
373.21765	0.5
375.23312	12.0
376.23529	2.1
391.22797	18.2
392.23340	3.7
393.24368	15.2
394.24405	3.0
407.22351	0.6
409.23932	1.9
419.22742	0.5
437.23325	100.0
438.23685	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84146	0.7
55.01762	6.7
56.44425	0.7
57.03326	5.1
58.00440	1.5
59.01254	36.2
63.01253	0.6
68.99657	1.1
69.03286	2.1
71.01254	68.2
71.54374	1.1
72.99182	3.7
73.02819	38.3
75.00718	2.0
78.95735	1.9
81.03316	1.0
83.01260	16.6
85.02827	34.1
85.18847	0.6
85.99962	3.1
87.00766	4.4
89.02324	12.9
95.01270	4.5
96.95279	0.7
96.95888	9.9
97.02818	4.3
99.00177	1.1
99.00761	13.4
101.02325	69.8
102.02670	1.7
111.00732	2.4
113.02335	23.1
115.03861	2.9
125.02335	3.6
129.01813	1.5
131.03384	4.5
141.12721	1.4
143.03381	1.7
148.35120	0.6
149.04475	1.5
152.99452	2.4
159.02913	5.3
161.04468	22.9
162.04735	0.9
191.05579	1.0
205.03444	1.0
209.11766	10.9
210.12045	1.0
213.14705	0.8
227.03239	0.6
233.06592	4.9
262.96042	0.6
263.43381	0.6
293.08676	0.8
305.19702	98.8
306.20013	7.8
349.18683	1.1
357.26675	1.4
437.23926	100.0
438.24228	12.2
445.28555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50230	0.2
69.68614	0.5
69.69028	0.8
78.95783	50.1
96.95946	9.5
96.96849	100.0
98.44799	0.2
145.15738	0.2
173.48227	0.2
177.39160	0.2
190.76538	0.3
195.65768	0.3
220.86008	0.3
225.65965	0.2
235.18030	0.2
236.61617	0.3
439.08438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80791	0.4
65.27762	0.4
71.18108	0.6
77.95979	0.4
79.95610	22.7
80.96381	1.4
93.03333	0.5
96.95895	5.8
106.48615	0.4
114.41450	0.4
121.02843	6.8
135.04402	1.3
142.41808	0.4
145.02840	1.1
147.04407	2.1
159.04448	1.2
159.37764	0.4
192.07999	0.5
212.04871	0.7
224.04707	1.0
224.06825	0.7
227.10751	0.5
238.06322	0.8
239.10764	0.6
240.04146	2.1
241.08728	1.0
251.07040	1.3
253.08601	0.7
254.05846	1.4
255.10258	3.3
256.10590	0.6
263.07141	0.6
265.08566	0.6
269.08188	34.3
270.08530	3.7
270.12369	0.5
271.09753	2.5
281.08279	5.1
282.08768	0.8
283.09760	13.6
284.10162	1.4
294.08932	1.0
295.09784	2.0
296.10461	1.4
297.11362	0.9
298.12042	1.6
299.09253	23.9
300.09549	2.5
309.11368	0.8
310.12012	0.9
311.09259	29.0
312.09573	3.1
313.10690	0.9
314.11606	47.1
315.11893	5.1
325.10785	4.1
326.11584	23.5
326.15607	0.7
327.08670	0.4
327.12012	2.8
329.13940	62.1
330.14337	7.7
333.42303	0.5
341.13922	20.9
342.14505	2.4
409.09723	7.5
410.09738	0.7
439.10669	100.0
440.11020	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	439.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72968	0.2
71.12043	0.4
78.40405	0.3
79.95618	9.6
80.96401	0.5
95.95121	2.1
96.95901	100.0
97.95835	0.4
110.97478	11.9
110.98249	0.6
121.02841	0.5
122.97483	0.7
180.07916	0.3
204.83006	0.3
208.07318	0.4
223.09750	0.7
259.02832	0.4
260.03632	1.1
269.08215	1.7
273.04486	0.4
281.08279	0.4
283.09677	0.3
284.10272	0.3
289.36646	0.3
290.70068	0.3
296.10562	0.3
299.09335	2.0
300.09961	0.4
301.10513	0.3
311.09338	1.3
313.10886	0.4
314.11642	8.4
315.12280	1.6
317.84351	0.3
325.10983	0.3
326.11536	2.5
327.12112	0.5
328.13913	0.3
329.14020	4.0
330.14215	0.3
341.13934	1.0
379.04874	0.4
393.06461	0.6
394.07300	3.3
395.07712	0.5
409.09628	9.6
410.09695	1.2
421.09625	1.9
439.10693	43.8
440.11035	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25417	0.3
69.49442	2.0
70.39602	0.3
70.73786	0.3
71.25062	0.3
79.95603	6.4
95.95113	0.4
96.95890	100.0
97.95812	0.4
110.97469	0.6
121.02789	0.5
137.02324	0.4
163.53116	0.3
230.99602	0.4
269.08075	1.8
299.09277	1.1
314.11563	1.4
390.46704	0.3
407.99561	0.3
439.10663	47.4
440.11026	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07987	0.2
59.01248	0.7
59.80657	0.2
61.98678	0.2
71.01245	0.6
71.54424	0.3
73.02810	0.2
79.95609	30.0
85.02827	0.3
89.53592	0.2
90.74072	0.2
95.95116	1.0
96.95893	100.0
97.95824	0.5
101.02350	0.4
109.02840	0.5
110.97469	1.7
113.02302	0.4
119.04912	0.2
120.99551	0.7
125.02354	0.4
133.94847	0.2
136.99033	0.4
141.95688	2.9
142.74612	0.1
160.12889	0.2
161.04456	0.3
167.00099	0.7
191.05531	0.3
212.03973	0.2
255.11443	0.2
299.09314	0.3
307.17691	0.6
313.10898	0.7
329.10355	0.3
344.12665	0.7
359.15106	0.7
424.08530	0.9
425.09152	0.2
439.10690	55.7
440.11032	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	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79033	0.6
58.00470	1.0
59.00963	1.0
59.01253	17.0
59.01539	0.6
61.98698	3.8
64.41492	0.5
71.00897	0.8
71.01254	10.5
71.07575	1.2
72.99175	1.2
73.02813	1.0
78.95757	0.6
79.72504	0.6
83.01269	0.9
85.02819	2.2
85.06464	8.2
87.47385	0.7
89.02320	11.2
91.05407	0.7
93.03336	0.7
96.95894	6.9
101.02316	8.7
113.02338	5.0
113.05973	1.4
115.07505	0.7
117.03351	10.4
119.03461	4.0
119.04920	17.2
120.05223	0.8
121.21657	0.6
127.07504	1.1
131.07036	42.5
132.07339	1.2
133.06505	1.1
145.02855	54.9
146.03203	2.3
154.63470	0.6
161.04738	0.7
161.06013	3.2
162.60762	0.7
163.03920	23.5
164.04291	1.1
173.08116	0.9
177.05438	1.1
179.26060	0.6
191.12383	0.7
205.04968	2.7
265.07260	0.8
275.11172	0.7
293.12424	100.0
294.12756	7.3
297.89612	0.7
307.08185	1.0
349.43805	0.7
439.10825	1.9
439.16095	23.0
440.16043	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	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	1.1
59.01253	42.6
64.79686	0.7
69.41523	2.3
69.41935	1.8
70.84458	0.6
71.01254	16.2
72.99181	1.4
73.02806	1.3
82.35055	0.6
83.01259	1.3
85.02837	2.7
85.06461	9.9
87.00757	1.5
88.94622	0.7
89.02319	19.6
96.95877	3.6
96.96843	1.0
98.20490	1.4
101.02321	10.8
113.02341	7.0
113.05970	2.6
115.07539	1.3
117.03343	13.1
119.03426	7.4
119.04910	17.8
127.07571	1.5
131.03366	0.9
131.07043	52.0
132.07368	1.8
133.06488	1.9
143.03416	1.1
145.02864	62.2
146.03238	2.9
149.04536	0.7
154.07961	0.5
161.04622	1.0
161.06001	4.1
163.03932	19.2
164.04245	1.1
173.08057	2.1
177.05412	1.3
179.05490	3.8
184.86253	0.6
188.13539	0.6
205.04967	2.7
235.06131	1.2
237.08025	1.2
241.35718	0.7
265.07251	1.5
275.11591	0.8
293.12430	100.0
294.12744	7.9
307.08093	0.9
312.93164	0.6
439.16083	32.9
440.16302	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	439.2372
Annotation	Spinanine A
Peak:m/z	Relative Intensity
54.30748	0.5
55.02682	0.4
55.93456	0.4
59.01242	1.3
69.33234	1.4
69.33641	1.8
71.23804	0.4
79.95612	2.2
96.95895	100.0
97.95868	0.6
138.61961	0.5
151.49557	0.5
233.35085	0.5
256.61172	0.4
313.23798	1.9
341.26932	1.3
357.26450	0.6
359.28052	22.0
360.28339	2.8
439.23697	74.1
440.24023	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	439.2487
Annotation	Arieianal
Peak:m/z	Relative Intensity
50.80024	0.2
57.03326	10.4
59.01254	0.4
65.43618	0.3
69.28062	1.5
69.28465	0.4
80.02512	0.3
81.03338	3.2
96.95898	0.4
97.06454	0.4
116.88056	0.2
139.07562	0.9
159.08038	0.3
161.09590	0.3
213.12798	0.4
215.14334	0.3
220.55659	0.3
225.12820	0.3
266.16705	0.4
269.19174	0.5
281.19153	1.1
293.22900	0.7
325.18085	1.0
327.19675	1.3
335.23804	1.8
337.21744	3.4
338.22076	0.4
341.21210	0.7
351.23236	0.3
353.21100	0.7
353.24850	1.3
367.22696	0.4
377.24826	0.4
379.22791	1.5
380.23114	0.3
393.24326	0.4
395.25897	100.0
396.26242	16.6
439.24887	12.7
439.29773	0.4
440.25214	2.1
458.30896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2492
Annotation	Arieianal
Peak:m/z	Relative Intensity
59.01237	0.9
60.50524	0.4
70.59764	1.2
87.60164	0.4
88.21820	0.5
88.80576	0.4
96.95868	0.6
109.06449	0.6
213.12816	2.2
215.14323	0.6
219.09251	0.6
223.11313	0.4
239.14433	0.5
241.15875	0.6
299.18216	0.5
325.21585	0.5
335.23795	2.5
351.23029	0.6
351.27094	1.4
353.24722	0.5
367.22736	1.0
375.43069	0.4
377.25110	2.4
379.22748	2.5
395.25928	100.0
396.26257	17.9
439.25052	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	441.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92177	0.2
62.14573	0.2
62.91361	0.2
69.44913	0.6
69.45339	1.2
79.95608	29.4
80.96386	0.8
87.59149	0.2
95.94196	0.3
95.95110	20.8
96.95892	79.7
97.70203	0.2
101.94061	0.2
109.02808	0.5
109.96684	0.4
110.97465	9.0
111.51028	0.3
112.84306	0.2
121.02853	0.4
122.03619	0.3
124.95450	0.2
136.99043	4.3
137.00085	0.3
137.17615	0.2
141.95651	0.8
165.05460	1.1
167.00111	43.6
168.00401	1.0
179.07060	0.3
245.01190	0.5
259.02814	0.9
273.04303	1.3
287.05984	2.1
289.03870	0.6
303.05472	2.3
315.12354	0.3
346.14026	0.6
361.16592	1.7
395.08020	1.1
411.07687	0.3
426.09799	4.0
427.10196	0.4
441.12228	100.0
442.12573	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	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42683	0.5
53.47856	0.6
58.00441	1.1
59.01253	24.5
68.98323	0.6
69.31302	2.7
69.31728	1.6
71.01254	18.4
72.99165	1.4
73.02791	0.5
79.95599	4.6
83.01263	1.0
85.02801	2.6
87.00730	0.9
89.02317	19.6
93.03311	2.5
95.01264	1.0
95.95108	3.1
96.61329	0.6
96.95888	20.9
101.01711	0.7
101.02328	12.0
110.97446	1.2
113.02344	6.6
117.03326	4.5
119.03449	8.0
119.04915	33.0
120.05202	1.6
121.02867	2.7
123.04363	1.4
131.03377	0.8
131.04848	1.3
132.05681	2.5
133.04919	1.4
133.06493	13.1
134.03629	0.9
136.98999	0.9
137.02333	0.7
141.26527	0.6
143.03331	0.6
144.49057	0.6
145.02852	25.3
146.03159	0.9
147.04367	1.5
151.07556	0.6
151.11240	0.5
159.04350	1.5
161.02356	1.2
161.04610	1.1
161.05997	23.2
162.03024	0.9
162.06363	1.2
163.03932	33.2
164.04196	1.8
167.00151	7.1
177.04054	1.1
177.05495	12.1
177.07043	0.6
179.05565	1.0
181.83745	0.6
187.03793	1.2
189.12718	0.6
191.05537	1.5
202.72549	0.6
205.05005	20.9
206.05354	1.0
217.12302	1.3
217.28557	0.5
235.06082	5.5
265.07135	8.1
266.07504	0.9
279.09103	1.5
279.12238	1.0
295.10342	100.0
296.10651	6.9
317.07935	0.5
441.13593	33.8
442.13971	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	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.4
61.98701	1.2
71.01250	1.4
71.54142	0.5
72.99199	0.4
79.95627	0.5
85.02824	1.5
87.00761	0.6
87.04409	1.0
89.02333	0.8
93.03347	2.0
96.95892	2.0
97.02813	0.7
98.95473	1.4
98.96340	0.6
101.02320	0.8
109.02876	0.8
111.04362	0.4
113.02319	0.7
115.03908	2.0
117.03374	1.6
119.04919	92.3
120.05260	5.0
133.02838	1.4
133.04962	6.6
134.03662	1.5
135.04434	2.5
145.02863	12.6
151.07576	1.2
153.16614	0.4
155.03403	0.6
156.93721	0.5
158.22397	0.4
161.02376	4.3
163.03922	100.0
164.04253	5.1
173.04480	1.8
179.03427	1.5
191.05542	7.8
193.05000	1.7
205.12265	0.7
217.12317	0.8
235.13416	0.7
242.05846	0.5
257.08203	0.9
261.11230	0.6
279.08755	15.4
279.12329	2.1
280.08966	0.8
291.31235	0.4
295.10406	1.2
321.09750	2.1
325.09317	2.6
334.92276	0.5
353.08716	0.7
364.29181	0.5
441.13983	16.7
442.14218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
58.79853	0.4
59.01250	8.4
62.89512	0.5
65.82318	0.5
69.03338	0.5
69.77414	2.1
71.01254	4.6
73.02834	1.0
79.95612	5.1
85.02832	2.0
87.00777	0.7
87.04375	2.4
89.02322	5.0
93.03336	2.2
95.95114	3.0
96.95883	17.8
97.02825	1.5
98.95491	0.9
101.02329	3.4
110.97474	0.9
113.02340	1.8
115.03899	4.9
117.03345	1.7
119.03455	2.4
119.04919	56.5
120.05268	2.1
133.02872	1.4
133.04974	9.9
133.06505	0.7
134.03610	1.1
135.04442	1.5
136.99016	1.1
145.02866	4.7
146.51445	0.5
161.02347	4.8
161.05931	0.5
163.03918	100.0
164.04245	5.5
167.00107	5.8
173.04506	1.4
179.03401	1.0
191.05559	5.3
193.04999	1.6
205.05002	0.9
233.85887	0.5
235.13245	0.7
256.66681	0.5
277.09131	1.4
279.09048	2.7
279.12347	1.7
295.10336	46.9
296.10669	3.4
360.09830	1.0
373.08929	0.7
390.09167	0.5
441.12738	21.6
442.12756	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	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.6
57.03312	1.2
58.00473	4.8
59.01255	100.0
69.60247	3.1
69.60656	3.6
70.13645	1.2
71.01256	59.3
72.01596	1.6
72.99195	4.0
73.02831	3.5
82.89124	1.0
83.01273	3.3
85.02816	11.5
85.03197	1.0
87.00749	1.5
89.02323	53.5
93.03321	1.3
95.01273	3.4
96.95927	2.4
98.20526	2.1
99.00747	1.5
101.02326	33.0
102.67677	1.1
107.04903	1.3
109.02831	9.6
109.06464	1.3
113.02331	18.8
117.03352	1.2
119.03397	27.1
119.04803	5.6
120.03751	1.2
121.06509	1.7
121.41045	1.0
122.03624	1.7
124.05173	2.0
125.02428	1.4
131.03374	2.5
133.06505	15.0
137.06027	3.2
139.07550	14.2
143.03435	3.6
145.02838	5.6
149.04504	1.3
149.06032	3.4
161.02409	2.5
161.04504	8.2
161.06033	5.2
161.84724	1.2
163.03938	6.2
169.08659	1.7
177.05548	2.3
179.05518	6.0
191.05579	3.0
194.16628	1.1
202.10065	1.3
205.05077	2.1
205.12325	2.8
217.12349	4.1
235.13419	3.1
261.11258	1.3
295.10367	19.1
296.10736	1.8
330.13214	24.2
330.16974	1.7
331.13977	14.8
332.14691	1.3
397.18723	5.8
441.17847	72.5
442.17981	10.1
466.99094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
57.03083	1.1
57.03325	10.4
58.00447	1.2
59.01252	81.4
60.01588	1.5
61.72914	1.1
61.98704	15.3
71.01254	30.6
71.01862	2.5
72.99172	3.9
73.02818	11.4
75.00710	1.2
81.03301	1.8
83.01255	7.0
83.04883	2.4
85.02828	19.2
87.00758	2.0
89.02330	5.5
93.03339	4.2
95.01257	3.6
95.04881	3.6
96.95868	3.9
97.02825	7.1
97.06454	1.5
99.00749	5.4
101.02323	39.7
107.04875	2.0
109.02834	7.0
109.06458	6.4
111.00755	1.3
111.04401	5.5
113.02326	16.1
119.03379	2.4
119.04883	4.1
119.08556	2.2
120.99514	1.4
121.06448	3.7
122.03630	11.0
123.04404	3.5
124.05212	11.6
125.02367	2.7
125.06001	9.1
131.02478	2.2
131.03403	37.5
133.02826	1.8
133.06458	1.5
135.04382	3.8
136.05177	1.7
137.05956	10.9
139.07549	79.2
140.07915	2.7
143.07066	2.9
147.08006	3.2
149.05963	4.2
151.03897	2.5
159.02919	2.9
161.02330	3.6
161.04480	11.5
163.03931	4.2
163.11156	1.3
168.07822	20.0
169.08629	7.4
171.08028	2.0
173.04506	2.6
177.12787	2.0
179.03345	1.9
187.11205	16.4
190.09845	2.7
191.05537	9.5
205.10324	1.4
205.12273	24.5
206.12654	1.7
217.10725	5.1
217.12489	2.4
217.17888	1.3
229.12294	1.6
231.10196	3.6
235.13326	5.8
249.13422	100.0
250.13759	5.9
261.11392	2.9
273.11221	2.9
279.12384	54.7
280.12698	6.1
293.12360	1.4
297.97073	1.2
303.12396	4.3
321.13303	1.8
381.17651	21.5
382.17880	3.6
441.17462	2.7
444.23822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	3.0
57.03326	5.6
59.01256	80.7
61.04035	1.5
61.98719	9.2
69.55392	9.4
70.08618	1.4
71.01262	25.3
72.01620	1.8
72.99190	1.9
73.02830	9.9
76.21780	1.5
83.01258	5.3
85.02833	15.2
87.00739	2.3
87.08066	1.4
89.02320	6.7
93.03346	2.5
95.01258	2.7
95.04916	1.6
96.95909	2.5
97.02828	2.3
99.00800	4.1
101.02335	34.5
109.02876	4.3
109.06515	3.2
111.04398	1.9
113.02332	14.9
119.04935	3.9
122.03640	3.0
124.05202	5.5
125.05943	2.4
131.03409	44.0
135.04417	3.3
137.06009	3.5
139.07565	30.6
140.07918	2.0
147.08211	2.0
155.10620	2.2
159.02911	2.0
161.02368	1.6
161.04503	11.3
163.03943	2.8
165.64777	1.7
168.07851	7.9
169.08620	1.7
187.11205	7.0
190.09999	2.0
191.05579	4.8
205.12292	10.0
217.10628	2.5
235.13332	2.8
249.13446	100.0
250.13721	8.1
273.11398	2.7
279.12408	23.4
301.57108	2.0
303.12369	3.0
344.76025	2.0
374.02301	1.6
381.17737	21.9
382.18088	2.8
441.17950	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
57.03336	0.6
58.00475	0.5
59.01256	100.0
60.01593	1.5
61.98705	3.5
70.27425	0.4
71.01261	20.4
72.99204	1.1
73.02826	8.8
74.03165	0.5
75.00750	0.6
80.73408	0.4
83.01272	3.7
85.02831	6.4
87.00777	0.9
87.04391	0.6
89.02324	10.9
89.02831	0.8
95.01301	1.0
97.02826	0.5
98.20577	0.8
99.00776	1.4
101.02328	16.4
101.05986	1.1
105.04958	0.4
113.02337	8.5
119.03399	5.2
125.02332	0.8
131.03444	1.2
143.03439	1.8
149.04533	0.5
153.75191	0.4
159.02864	0.5
161.04457	5.1
163.24490	0.5
179.05519	1.9
268.13531	0.4
381.22958	0.7
397.24078	0.9
399.23904	5.6
400.24673	0.6
441.23065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51568	2.5
68.24426	2.6
69.51946	18.2
72.99180	8.1
81.94804	2.5
84.48989	2.5
85.02813	11.7
87.00764	5.5
88.98681	6.2
93.03352	11.1
109.02869	6.9
111.04382	4.8
119.35257	2.6
135.04424	4.3
137.02344	4.5
149.02339	2.9
153.01836	4.1
161.02412	3.0
165.01883	3.2
173.04446	7.7
176.03427	8.6
177.01875	5.4
179.03366	5.3
188.03363	3.6
191.05548	100.0
192.05870	5.8
204.02899	3.7
205.01358	4.1
206.04536	5.8
214.01437	3.5
223.02321	3.7
230.06631	3.2
232.02505	17.2
250.03528	16.8
268.08191	3.6
442.09930	3.8
461.35916	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	442.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	5.8
59.01252	35.8
61.98748	1.2
66.03360	2.5
71.01257	17.2
71.02156	2.0
71.02486	2.0
72.99181	22.6
73.02824	8.5
80.04934	6.9
83.04900	10.4
85.02824	6.1
87.00787	1.6
87.04398	2.3
88.10126	1.3
89.02319	13.2
92.04932	1.5
93.03372	1.5
94.06486	1.7
95.01277	2.6
96.95901	17.6
97.02802	1.6
97.06483	5.7
98.02361	2.1
98.95476	11.3
98.96288	2.3
99.04388	22.0
101.02323	8.5
102.82965	1.2
104.04944	3.0
106.06507	18.0
111.04391	3.1
113.02344	11.4
115.03933	3.1
119.03405	6.0
120.04481	2.1
120.08121	1.4
122.05974	1.4
123.04406	2.1
137.09636	4.6
138.05544	3.2
139.07584	6.3
141.05513	3.2
146.05989	1.3
148.07506	1.6
149.06003	1.9
151.00307	1.9
157.31630	1.2
161.04503	3.1
165.12784	1.6
174.12802	10.7
175.14862	3.4
177.09138	3.2
181.08617	3.7
190.12170	1.9
191.05620	2.5
192.10275	6.5
192.14030	1.8
195.10231	1.8
200.10745	3.4
201.12886	1.7
203.10753	2.5
209.11739	2.5
218.11795	20.0
219.12126	2.3
219.13895	10.8
236.12898	25.6
236.14990	0.9
237.15091	8.7
249.21649	1.4
262.10971	6.8
263.12939	10.1
280.11896	100.0
281.14078	52.2
301.03629	1.6
316.33075	1.2
322.13016	5.0
347.09991	1.4
402.09033	1.4
442.10883	8.0
442.17239	9.0
443.16302	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.72581	1.0
55.01747	2.8
57.03323	2.8
58.00464	2.7
58.56196	0.8
59.01250	49.7
68.01008	0.8
69.88496	4.5
70.24788	0.9
71.01254	37.4
72.99174	4.4
73.02821	7.1
83.01259	4.6
85.02821	15.3
87.00730	2.7
89.02316	24.7
93.03352	1.3
95.01262	2.6
99.00768	2.3
101.02324	28.9
106.39639	1.1
111.04370	2.1
113.02344	11.5
119.03392	10.2
121.06465	1.0
123.08057	0.9
135.04391	4.0
161.04509	2.2
171.11743	1.4
173.04515	1.8
173.08624	1.0
189.12761	1.8
191.05531	8.7
219.13811	1.1
237.14886	1.8
281.14056	1.3
289.73566	1.0
352.29779	0.9
353.08557	1.6
353.59061	1.1
443.19211	100.0
444.19455	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.6
57.03313	3.4
59.01253	63.2
60.22232	2.4
61.98696	3.6
69.28681	24.3
71.01259	53.8
72.99193	2.9
73.02831	16.6
83.01279	5.8
84.19110	3.1
85.02818	11.1
87.00755	4.4
89.02327	40.0
95.01266	2.9
96.95879	8.5
97.02827	10.5
99.00688	2.7
101.02339	24.9
105.06947	3.1
107.04896	3.3
108.05701	10.2
109.02825	7.4
111.04403	10.5
113.02324	10.6
113.05956	9.6
118.23749	2.6
119.03358	7.9
119.08569	3.6
121.06527	3.9
122.03605	9.7
123.08015	5.9
125.02354	4.2
125.05957	10.3
135.49049	2.8
136.05177	9.3
137.06047	6.1
138.06805	13.5
139.07555	35.9
145.02896	3.1
148.05162	5.6
151.07562	70.0
152.04697	9.7
152.08345	36.0
153.09117	11.2
161.04471	5.1
161.09610	4.4
163.07558	8.1
179.05487	4.9
189.26619	2.5
201.12772	22.9
203.10661	9.4
204.11481	43.5
205.11987	5.6
219.13875	75.5
220.14137	7.9
221.15378	10.8
237.14798	3.1
263.12900	100.0
264.13232	7.3
281.13821	4.6
297.32590	2.6
400.33316	3.2
401.21753	9.5
405.40878	3.5
412.78983	2.8
443.23047	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33302	0.5
59.01261	3.1
63.02256	1.0
65.00193	2.3
70.65500	0.5
70.83662	1.3
71.01259	0.8
74.41062	0.5
77.73839	0.5
83.01260	1.7
87.00724	0.5
93.03336	0.7
101.02296	0.6
107.01267	4.9
108.02052	1.5
109.02839	3.6
113.02322	0.6
114.81706	0.4
119.01293	0.5
121.02843	3.5
135.00757	1.2
139.03926	0.6
148.01564	1.9
149.02335	0.8
151.00267	17.4
152.00554	0.8
163.00279	4.3
164.00938	0.7
169.01337	0.9
171.04451	0.6
175.03923	0.9
178.99789	8.2
183.04402	0.8
187.03885	0.5
190.99809	0.5
198.02931	0.5
199.03860	1.0
201.01860	0.5
201.05554	1.0
203.03453	0.9
211.03931	1.8
215.03511	0.8
216.04192	0.9
224.32596	0.5
226.02664	2.2
227.03423	4.9
229.05045	1.0
243.02960	12.3
244.03320	1.4
245.04488	2.8
254.02144	1.9
255.02972	27.7
256.03354	3.3
257.04749	0.6
270.01700	0.6
271.02481	60.4
272.02869	6.8
273.04041	1.9
278.74481	0.6
283.02652	2.4
283.15561	2.2
284.02966	0.6
285.43417	0.6
287.49188	0.6
299.02072	2.7
300.02750	74.6
301.03503	100.0
302.03882	9.5
445.07755	45.6
446.08044	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	445.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01251	5.6
63.02268	3.4
65.00196	5.0
69.25593	4.6
71.01253	4.5
71.04897	1.0
73.02815	10.2
83.01270	4.0
83.04894	1.2
85.02827	2.2
89.02320	5.1
93.03337	49.5
94.03677	1.2
99.00761	0.7
99.04391	1.1
101.02341	2.1
107.01282	8.9
113.02305	1.2
114.88442	0.6
117.03355	2.1
119.03459	1.2
119.04927	2.3
123.04432	0.7
125.02329	6.6
131.03464	0.5
133.02873	1.2
135.04462	1.7
137.02354	79.3
137.09621	1.7
138.02681	3.5
145.02861	10.6
146.03270	0.5
147.04440	1.4
149.02415	1.0
149.04506	0.7
151.00285	27.7
152.00923	1.5
153.01759	0.6
159.04408	0.9
161.02361	8.1
162.03084	1.4
163.00275	0.7
163.03925	5.6
164.01154	0.6
165.12767	0.7
167.62436	0.5
169.01314	2.9
173.02367	1.5
175.03926	2.4
177.02007	0.7
178.99789	13.7
180.00186	0.7
183.04465	0.8
187.00316	1.7
187.03941	1.1
189.01912	3.1
191.03374	2.5
192.00655	1.2
193.01334	1.4
197.02516	0.5
199.03908	1.4
201.01976	0.6
201.05548	0.8
203.03461	1.7
205.01430	0.7
209.11769	0.8
211.03967	0.8
213.01782	0.7
213.05437	0.7
217.01440	0.9
217.05009	0.9
219.03038	0.6
221.04555	0.6
221.15421	2.9
223.03964	0.5
225.05550	1.1
227.03458	2.8
229.05032	1.1
231.02985	1.2
239.03568	0.6
239.16508	3.8
241.04965	1.0
243.02948	1.7
245.04510	0.8
247.02510	0.6
251.03323	1.0
255.03004	1.7
256.03748	0.7
265.14444	4.0
267.02911	1.8
269.04556	2.2
271.02460	2.3
279.03000	1.8
280.03595	1.0
283.02554	0.9
283.15518	18.5
284.15826	1.5
285.03995	1.7
295.02475	10.1
296.03061	2.3
297.04074	6.2
298.01163	1.1
298.04395	0.9
299.01938	2.1
300.02774	2.4
301.03537	4.4
307.08237	2.1
311.01974	2.6
312.02383	0.7
313.03500	6.1
314.03763	1.0
315.04993	0.7
323.01981	10.3
324.02591	1.4
325.03351	1.0
327.01520	6.8
327.05133	1.1
328.01828	1.3
337.03485	0.8
341.03018	20.4
342.03424	2.2
353.02896	0.8
355.04575	2.2
371.04089	0.9
373.05573	2.1
383.04044	1.0
427.07007	0.8
445.07742	100.0
446.08051	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	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03303	0.4
58.00457	0.3
58.40289	0.2
59.01248	4.7
65.03824	0.4
69.03312	0.3
69.40593	0.2
69.40897	1.6
71.01250	7.2
72.99166	0.2
73.02824	2.8
83.01249	1.2
83.04894	0.3
84.15841	0.2
85.02821	2.8
87.00768	0.5
89.02320	3.3
93.03334	49.9
94.03695	1.3
95.01242	0.5
96.95879	0.7
97.02795	0.4
98.19790	0.4
99.00771	1.1
101.02322	5.5
113.02320	2.5
115.83636	0.2
117.03357	2.5
119.03400	0.7
119.04916	1.8
125.02361	1.2
131.03419	0.6
137.02344	100.0
138.02682	4.3
143.03481	0.3
145.02855	10.1
146.03160	0.2
149.04453	0.8
159.02960	0.5
161.04446	2.8
161.95224	0.2
163.03914	1.3
181.74429	0.2
191.05560	0.5
233.06619	0.8
241.01408	0.6
241.05133	0.3
243.02979	0.3
245.00897	0.3
269.04523	0.5
270.01614	0.3
271.02539	0.7
283.15390	0.5
293.08673	0.2
298.04898	0.5
299.01990	1.0
299.04993	0.3
300.02881	0.3
301.03555	0.3
306.56879	0.2
307.08228	2.8
308.08411	0.4
313.16611	4.5
366.87323	0.2
445.11099	1.0
445.20633	6.8
446.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31865	1.5
52.72042	1.6
57.32838	1.3
58.19109	1.4
59.01252	25.6
71.01263	6.2
71.34196	1.8
73.02826	5.3
73.82620	1.2
84.53716	1.4
87.00753	100.0
88.18282	1.3
89.02321	2.3
93.03354	5.0
99.00746	3.8
101.02359	2.9
101.25206	1.7
113.02298	2.8
119.04879	2.5
121.06505	3.1
123.04462	3.0
123.99483	1.5
129.01811	2.3
134.03610	1.6
135.04391	8.6
136.05220	11.5
137.02354	4.3
151.03893	3.9
151.07576	5.4
191.05525	4.1
195.06567	75.1
196.06902	5.1
221.08162	4.6
278.34509	1.8
283.08237	98.5
284.08682	7.8
325.09311	5.3
410.59442	1.8
445.13693	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	445.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
60.00232	0.6
60.01593	1.5
61.59041	0.6
61.98694	1.6
71.53634	0.8
78.95790	3.3
89.02322	0.8
109.10123	0.6
121.02878	1.0
141.99721	0.7
149.00038	7.3
157.07530	0.6
164.08398	0.6
185.35562	0.6
205.15910	4.6
209.09160	0.7
271.02551	1.3
339.59552	0.6
355.16864	20.7
355.21109	1.4
356.17303	2.5
385.17914	11.0
386.18665	1.4
398.78421	0.6
445.07864	1.4
445.20273	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06345	1.2
58.00471	2.2
59.01253	100.0
60.01571	1.3
61.98674	1.3
62.73491	1.2
70.07936	4.5
71.01254	39.1
72.99203	3.0
73.02831	1.9
75.58277	1.0
85.02841	3.7
87.00733	1.9
89.02319	57.9
95.01259	2.1
98.37016	1.2
101.02325	18.4
113.02348	11.0
117.13699	1.2
119.03405	10.0
131.03314	1.6
143.03401	5.0
149.04482	2.0
151.03879	1.3
152.13460	1.3
161.04469	6.9
173.04535	1.4
179.03334	1.8
179.04002	1.9
179.05548	19.0
191.05521	1.7
209.08226	1.6
260.22476	1.5
262.64221	1.3
285.34784	1.4
309.04297	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03321	1.0
58.00467	1.2
59.01252	100.0
60.01580	0.9
63.50201	0.6
69.48322	3.8
71.01252	22.6
71.49418	0.6
72.99182	1.3
73.02835	2.6
83.01288	1.5
85.02833	5.8
87.00732	1.0
89.02319	23.7
95.01289	1.8
99.00762	1.2
100.33393	0.6
101.02324	11.2
113.02332	9.4
113.41803	0.7
119.03382	6.8
125.05974	0.7
131.03384	0.9
138.06812	2.7
139.07637	0.7
143.03419	1.5
149.04492	1.5
151.07610	2.1
152.08359	5.2
153.09140	16.0
159.02882	0.9
161.04472	6.5
179.05553	9.9
205.12268	7.2
219.78879	0.7
223.13391	5.2
223.98761	0.6
385.18713	9.6
386.18860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.8
59.01252	100.0
60.01582	1.8
69.18996	13.3
71.01257	23.6
73.02827	5.6
85.02827	6.7
89.02316	14.6
101.02319	17.2
113.02338	10.7
113.17561	1.2
119.03406	7.5
137.09666	1.6
143.03416	2.1
151.41507	1.7
159.02930	2.3
161.04478	21.6
161.09651	5.8
179.05556	5.2
179.10722	17.3
187.11166	2.8
205.12251	9.7
223.13374	13.6
385.18655	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96319	0.3
52.74130	0.4
55.01774	0.4
58.00459	0.5
59.01253	100.0
60.01595	1.6
61.12407	0.3
66.04598	0.3
67.29778	0.3
69.19080	1.1
69.19499	2.2
71.01255	11.1
72.99184	0.7
73.02838	1.1
80.79483	0.3
85.02815	2.5
87.00764	1.0
89.02319	14.8
95.01296	0.4
95.95153	0.4
96.95912	0.9
97.94691	0.5
98.95480	1.2
101.02327	6.2
113.02343	4.8
119.03384	6.6
131.03397	0.8
137.09601	0.4
143.03435	1.4
146.43571	0.3
161.03351	0.4
161.04468	2.3
161.05655	0.3
162.48123	0.3
168.99619	0.5
179.05547	2.9
187.11258	0.5
205.12378	0.6
235.66292	0.4
264.24582	0.4
329.73969	0.4
376.94141	0.4
385.18716	1.9
402.05063	0.3
445.12408	2.2
445.20776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
58.00463	1.5
59.01252	100.0
60.01575	1.7
61.98708	1.9
71.01256	24.4
71.54263	1.7
72.99166	2.4
73.02824	4.5
83.01244	1.1
85.02826	8.7
87.00761	2.7
87.24958	0.9
89.02322	22.5
93.03336	1.5
95.01289	2.2
96.95894	2.3
99.00761	1.3
101.02316	16.5
113.02323	10.6
119.03376	8.5
125.02261	1.4
131.03397	3.2
147.08060	1.2
149.06075	1.2
151.03915	1.4
152.03439	2.0
153.09105	1.6
153.64717	0.9
159.02855	1.8
161.04491	7.5
163.06082	1.7
163.11214	10.1
175.11174	5.2
179.05498	2.7
179.10670	4.4
187.11176	2.1
191.05528	6.5
205.07169	1.2
205.12286	49.4
206.12607	3.2
221.06610	4.9
223.13416	2.4
232.38432	1.0
385.18439	2.6
445.21033	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	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17330	0.3
53.50344	0.4
59.01256	3.0
71.01266	1.0
71.01951	0.7
71.59812	0.3
78.02759	0.3
78.20729	0.3
78.95786	5.5
79.37651	0.3
89.02311	0.5
93.42786	0.3
107.08797	0.4
110.98412	4.6
132.00778	0.4
152.99451	0.5
163.67462	0.3
167.01091	1.7
185.02142	4.8
187.11266	0.4
198.29115	0.3
225.57669	0.4
242.50537	0.3
259.20654	0.5
275.19907	0.4
277.21722	100.0
278.22073	9.7
282.03464	0.3
334.66025	0.4
363.99246	0.4
421.62820	0.4
445.23615	4.0
446.23926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	1.4
65.00204	1.9
71.12139	1.1
83.01263	1.9
107.01289	4.4
107.48306	0.5
108.02052	1.7
109.02856	3.5
121.02862	4.0
135.00771	1.5
137.49661	0.7
148.01566	2.3
151.00278	17.6
163.00282	4.3
164.00996	0.9
169.01338	0.7
178.48062	0.5
178.99786	8.5
183.04408	1.0
187.03949	0.8
203.03531	0.7
211.03975	2.7
215.03488	0.8
226.02686	1.2
227.03433	4.6
228.04036	0.8
229.05016	1.5
229.21400	0.7
243.02962	12.0
244.03502	1.2
245.04518	3.1
254.02283	1.8
255.00221	1.1
255.02974	28.5
256.03418	2.6
271.02484	55.0
272.02893	7.3
273.04047	2.7
283.02466	2.1
299.01956	1.7
300.02753	100.0
301.03513	81.5
302.04016	5.0
365.61914	0.6
447.09317	71.5
448.09744	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83884	0.2
59.01248	2.1
62.45557	0.2
63.02276	0.4
65.00192	0.5
65.49503	0.2
68.24673	0.2
69.55109	1.2
70.55424	0.2
70.74764	0.3
83.01269	0.3
93.03327	0.5
107.01250	1.3
132.02095	0.3
135.00771	0.6
143.04924	0.5
151.00264	2.8
153.01859	0.4
159.04401	0.5
163.00267	0.7
164.00989	0.3
167.04967	0.4
169.01389	0.4
169.06465	0.3
171.04483	0.4
174.03116	0.2
175.03908	0.3
178.99727	0.6
183.04434	1.3
185.05954	0.7
187.03896	0.6
195.04564	0.2
199.03873	0.3
201.05345	0.3
204.06311	0.3
211.03954	2.2
212.04547	0.3
213.05542	0.4
214.02615	0.2
227.03452	75.4
228.03810	6.1
229.05025	2.3
239.03432	0.8
255.02968	92.1
256.03488	14.3
257.04419	1.7
269.04602	0.3
283.02481	0.4
284.03256	65.9
285.03946	22.1
285.08661	0.3
286.04440	1.4
293.25922	0.2
327.04935	1.3
354.95941	0.2
357.06326	0.3
447.09302	100.0
448.09662	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
62.55528	0.2
62.96289	1.2
67.29692	0.3
71.01901	0.3
78.65063	0.2
78.95779	44.1
89.02306	0.3
96.96854	2.8
102.57020	0.2
107.01260	0.5
121.02846	0.5
149.00005	21.2
150.00360	0.4
151.00337	1.7
151.01460	0.4
152.99525	1.1
158.92448	2.0
163.00237	0.5
178.99728	0.5
179.01077	2.6
205.15945	1.4
211.03975	0.3
211.13293	0.4
227.03537	0.8
240.96794	0.6
243.02882	1.1
255.02985	3.5
263.80359	0.2
267.11575	0.5
271.02466	4.8
272.02933	0.5
283.02542	0.2
284.03336	0.5
300.02756	7.7
301.03513	6.6
313.67404	0.3
347.08331	0.6
375.93860	0.3
417.12567	0.9
429.24365	0.4
431.10251	2.9
447.13538	100.0
448.13879	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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
62.96286	1.0
71.01890	0.2
71.02214	0.3
73.77571	0.2
78.95778	40.8
96.96847	2.6
103.38394	0.2
106.33406	0.2
107.01270	0.2
121.25055	0.2
121.47246	0.2
122.97556	0.2
149.00003	21.1
150.00346	0.4
151.00261	0.4
151.01451	0.3
152.99339	0.3
158.92424	2.0
178.99709	0.4
179.01062	2.7
199.03925	0.2
205.15915	1.5
209.87706	0.2
211.03905	0.2
211.13380	0.3
227.03468	0.3
240.96877	0.2
243.02888	0.4
255.03029	1.1
255.91795	0.2
256.03333	0.3
267.11374	0.3
271.02475	1.7
272.03113	0.3
300.02853	2.6
301.03461	2.5
347.08325	0.6
417.12506	0.5
431.10266	2.9
431.36063	0.3
432.10715	0.4
447.13464	100.0
448.13800	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41258	0.3
59.01251	100.0
60.01588	1.3
61.98713	1.7
65.00209	0.9
69.78584	1.9
71.01260	4.5
73.02832	1.0
83.01268	0.9
85.02831	1.9
87.00762	0.5
89.02316	3.2
95.01283	0.6
96.95918	0.5
98.19950	0.6
101.02326	4.2
105.28620	0.4
107.01318	0.8
109.02871	0.4
113.02325	2.5
119.03400	2.1
121.02835	0.8
123.00787	0.4
125.02378	0.7
139.03969	0.5
143.03448	0.6
145.02887	0.4
149.02414	0.6
151.00282	3.9
159.02905	0.6
159.04492	0.4
161.04448	4.1
163.00256	0.4
169.77203	0.4
174.03206	0.7
178.99776	2.6
179.05630	1.1
182.49463	0.4
187.03935	0.9
191.05598	1.5
199.03958	0.8
201.01904	0.5
213.01907	0.5
214.02664	0.5
215.03528	0.9
217.01538	0.5
220.66844	0.4
225.14970	1.0
227.03566	1.3
229.01511	0.7
230.02234	0.7
230.64020	0.4
241.01450	0.4
242.02150	0.6
243.03107	2.1
255.02956	2.8
256.03781	1.1
257.01025	1.0
258.01801	1.3
259.02548	0.9
261.00510	0.5
269.01257	0.7
271.02478	4.4
272.02924	0.6
283.02505	0.7
284.03320	4.5
285.04156	0.8
286.01401	1.6
287.01944	4.4
297.00522	1.4
298.01349	0.6
299.02145	1.2
300.02759	7.5
301.03516	6.9
301.06482	0.5
302.04062	0.5
314.00812	1.4
315.01453	8.0
315.04776	0.6
317.02963	0.7
352.44180	0.4
374.04593	0.6
387.20291	6.7
388.20612	0.5
391.06784	0.5
392.34540	0.4
419.06650	0.5
447.05151	1.5
447.10507	3.9
447.22693	1.0
448.06061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03323	1.2
57.11073	0.5
59.01251	100.0
60.01580	0.7
61.98702	2.2
64.00940	0.4
69.77827	1.9
69.78194	0.9
71.01251	17.6
71.04900	0.8
72.99171	0.6
73.02818	4.4
75.00770	0.4
81.03368	0.5
83.01279	1.6
85.02829	5.6
85.03299	0.6
87.00752	0.8
89.02323	8.8
90.02683	0.4
93.03325	0.6
95.01263	0.8
95.04902	0.4
97.02846	1.2
99.00777	1.7
101.02320	10.0
111.04443	0.8
113.02332	8.3
114.34023	0.4
119.03377	2.2
124.63700	0.4
125.02377	0.6
131.03384	0.6
137.09630	1.1
138.06744	4.0
143.03418	1.3
151.03908	0.8
153.09120	12.9
159.02907	2.1
161.04466	14.3
163.03883	0.5
165.05618	0.5
179.05513	2.1
186.23856	0.4
191.05603	0.7
205.03474	0.6
207.13879	0.9
225.14906	28.2
226.15286	2.2
227.03479	1.2
255.03073	1.2
270.00940	0.4
271.02551	0.5
284.03207	0.8
285.13458	0.8
300.02911	0.7
301.03357	0.6
324.16251	0.5
327.05109	0.8
335.10263	0.4
357.06470	0.5
357.19397	0.8
359.13596	0.6
369.19208	2.5
387.20251	16.5
388.20831	2.1
406.11243	0.5
447.09314	2.5
447.22128	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36795	0.5
59.01253	100.0
60.01596	1.3
61.98694	0.8
69.67554	2.9
71.01247	5.0
73.02837	0.8
77.62415	0.5
85.02843	1.0
85.59816	0.6
89.02331	2.6
101.02322	3.3
113.02363	2.3
119.03408	1.1
123.08080	1.8
156.43062	0.6
161.04460	3.0
163.11272	1.7
179.05560	1.3
189.12770	3.5
190.13327	0.5
207.13840	5.1
208.14165	0.6
225.14978	2.3
387.20493	1.6
447.22269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41258	0.3
59.01251	100.0
60.01588	1.3
61.98713	1.7
65.00209	0.9
69.78584	1.9
71.01260	4.5
73.02832	1.0
83.01268	0.9
85.02831	1.9
87.00762	0.5
89.02316	3.2
95.01283	0.6
96.95918	0.5
98.19950	0.6
101.02326	4.2
105.28620	0.4
107.01318	0.8
109.02871	0.4
113.02325	2.5
119.03400	2.1
121.02835	0.8
123.00787	0.4
125.02378	0.7
139.03969	0.5
143.03448	0.6
145.02887	0.4
149.02414	0.6
151.00282	3.9
159.02905	0.6
159.04492	0.4
161.04448	4.1
163.00256	0.4
169.77203	0.4
174.03206	0.7
178.99776	2.6
179.05630	1.1
182.49463	0.4
187.03935	0.9
191.05598	1.5
199.03958	0.8
201.01904	0.5
213.01907	0.5
214.02664	0.5
215.03528	0.9
217.01538	0.5
220.66844	0.4
225.14970	1.0
227.03566	1.3
229.01511	0.7
230.02234	0.7
230.64020	0.4
241.01450	0.4
242.02150	0.6
243.03107	2.1
255.02956	2.8
256.03781	1.1
257.01025	1.0
258.01801	1.3
259.02548	0.9
261.00510	0.5
269.01257	0.7
271.02478	4.4
272.02924	0.6
283.02505	0.7
284.03320	4.5
285.04156	0.8
286.01401	1.6
287.01944	4.4
297.00522	1.4
298.01349	0.6
299.02145	1.2
300.02759	7.5
301.03516	6.9
301.06482	0.5
302.04062	0.5
314.00812	1.4
315.01453	8.0
315.04776	0.6
317.02963	0.7
352.44180	0.4
374.04593	0.6
387.20291	6.7
388.20612	0.5
391.06784	0.5
392.34540	0.4
419.06650	0.5
447.05151	1.5
447.10507	3.9
447.22693	1.0
448.06061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.6
59.01252	100.0
60.01586	1.0
62.77349	0.7
71.01256	16.5
71.04900	0.9
73.02823	3.7
81.03319	0.9
83.01264	1.4
85.02827	5.9
87.00767	0.9
89.02314	6.8
95.01309	0.8
97.66265	0.6
98.20676	1.1
99.00790	1.7
101.02317	9.4
113.02316	7.5
119.03411	2.6
137.09592	0.8
138.06749	5.8
138.38211	0.5
143.03403	1.2
153.09126	16.5
154.09457	0.8
159.02951	2.3
161.04460	17.4
162.04828	0.9
179.05571	1.9
196.61542	0.6
207.13887	1.8
225.14909	34.2
226.15207	3.2
369.19339	2.0
387.20279	18.0
388.20486	2.7
431.19016	1.0
447.09195	1.3
447.22610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43294	0.3
54.96827	0.3
55.01767	0.5
57.03343	0.4
58.00460	0.5
59.01250	100.0
60.01586	1.1
62.07036	0.3
64.62538	0.3
67.54091	0.3
71.01254	9.0
72.99182	0.5
73.02827	2.1
83.01275	1.1
85.02826	3.3
87.00742	0.4
89.02319	5.1
94.36230	0.3
95.01289	0.9
96.95919	0.5
97.02847	0.3
99.00793	1.3
101.02319	6.0
113.02334	3.8
113.03060	0.3
119.03389	2.8
143.03459	0.9
144.65715	0.3
159.02925	1.2
161.04466	9.1
179.05608	1.0
191.05563	0.8
205.03474	0.4
225.15028	0.9
255.03093	0.4
265.06766	0.3
271.02512	0.5
285.04184	0.4
300.02756	0.6
301.03622	1.0
387.20212	14.2
388.20648	1.6
388.25052	0.3
414.99399	0.3
431.18817	0.3
447.09296	0.8
447.22641	1.0
447.29248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.79734	0.5
55.01758	7.4
57.03326	6.3
58.00463	2.2
59.01251	51.8
60.01582	1.0
61.05247	0.5
67.01771	0.5
69.03316	2.2
70.30453	1.8
71.01254	100.0
72.01596	1.6
72.99177	3.0
73.02821	36.6
75.00751	3.0
81.03342	1.7
83.01254	10.6
84.02032	1.0
85.02824	41.9
86.03163	1.0
87.00754	5.2
89.02317	33.9
95.01255	5.6
97.02829	4.5
99.00759	18.1
101.02323	56.1
102.02679	1.3
107.01281	0.8
109.02859	0.5
111.00751	1.0
113.02334	31.0
114.02692	1.0
115.03903	2.2
119.03391	5.6
125.02338	6.4
129.01848	1.2
131.03401	7.4
143.03409	5.4
149.04439	6.5
151.00333	3.0
159.02927	6.5
161.04465	57.6
162.04811	2.0
163.00258	0.6
178.99760	1.5
179.05428	1.2
184.83926	0.5
191.05516	3.8
205.03508	2.2
211.13350	2.9
225.74707	0.5
227.03493	1.0
229.05061	0.6
233.06633	4.4
243.02986	1.8
255.02995	6.5
271.02444	9.1
272.02786	1.4
283.02539	0.7
285.03934	0.6
293.08722	1.4
300.02750	12.4
301.03497	12.5
302.03876	0.7
315.18109	41.8
316.18518	5.0
447.09476	11.6
447.22327	98.9
448.09451	2.7
448.22723	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	447.2237
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01762	1.7
57.03318	1.0
57.25693	0.4
58.00463	3.2
59.01250	89.1
59.49291	0.4
60.01586	1.4
63.47270	0.4
68.80437	0.4
69.03346	0.5
69.47250	2.6
71.01253	63.7
72.38830	0.4
72.99187	3.0
73.02818	16.0
78.05122	0.5
81.03333	0.7
83.01265	3.2
85.02827	8.9
86.62505	0.5
87.00757	1.9
89.02317	100.0
89.70392	0.5
90.02669	1.7
94.65767	0.5
95.01268	3.2
97.02847	1.5
99.00756	24.8
99.04404	0.6
101.02322	43.1
102.02649	1.2
113.02334	14.7
115.03916	0.9
119.03385	16.1
123.00787	0.4
125.02323	5.1
128.06848	0.5
131.03400	15.6
142.33098	0.6
143.03407	3.0
145.97346	0.5
149.04460	47.3
150.04816	1.4
151.00275	2.0
161.04477	4.6
163.00301	1.0
178.06801	0.5
178.99829	1.1
179.05536	5.6
180.05894	0.5
191.05537	12.9
192.05853	0.9
211.13344	2.2
221.06635	1.2
226.02750	0.5
226.97665	0.5
227.03368	1.1
229.04933	0.6
233.06557	1.2
243.02827	0.9
251.07745	2.2
255.02963	3.9
256.03375	0.8
260.07742	0.5
271.02457	6.8
272.02902	1.2
283.02475	0.6
284.03137	0.5
300.02716	10.4
301.03482	9.1
302.03891	1.3
315.18100	1.5
363.02676	0.5
434.13864	0.5
447.09412	7.5
447.22311	19.4
448.09750	1.5
448.22379	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
54.75354	0.4
54.78777	0.4
55.01760	2.3
57.03334	2.1
58.00474	4.1
59.01252	99.4
60.01591	1.4
61.98709	1.5
65.00175	0.4
65.43392	0.4
69.03333	0.9
69.35207	2.1
69.35617	1.5
71.01255	71.7
72.01598	1.1
72.99187	5.4
73.02819	11.0
83.01257	6.2
83.72839	0.4
83.95987	0.4
85.02825	14.5
86.03145	0.5
87.00757	3.8
89.02319	100.0
90.02666	1.1
93.03320	0.5
93.58459	0.5
95.01250	3.4
97.02841	1.6
99.00756	12.0
101.02325	44.5
102.02644	0.8
107.01283	1.9
108.02052	0.6
109.02847	1.1
111.00763	0.8
113.02332	23.8
114.02718	0.6
115.03914	0.6
116.00187	0.4
119.03393	26.5
120.03764	1.0
121.02852	1.6
125.02332	4.2
129.01881	0.9
131.03400	36.1
132.03745	1.1
133.06482	0.4
143.03418	4.6
144.03699	0.5
148.01547	0.6
149.04462	27.1
150.04829	0.9
151.00262	5.6
161.04466	5.8
163.00276	1.4
173.05934	0.5
178.99808	2.6
179.05542	9.7
183.13834	0.6
191.05547	18.9
192.05878	0.7
211.04030	0.7
211.13342	9.2
212.13617	1.1
227.03447	3.1
229.04967	0.6
233.06645	1.5
243.02921	3.4
244.03378	0.7
245.04489	0.6
251.07780	0.9
253.09169	0.9
255.02963	9.5
255.05479	0.9
256.03348	0.7
271.02469	15.9
272.02884	1.9
273.03903	0.6
283.02588	0.8
284.03253	1.7
285.03726	0.8
300.02759	26.8
301.03479	22.8
302.04013	1.8
315.18243	2.6
447.09317	21.1
447.22299	20.4
448.09543	3.2
448.22702	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
61.24207	0.3
62.22029	0.3
71.24897	0.6
78.95782	5.2
85.02808	0.4
101.02332	0.3
104.97292	0.3
110.98412	3.7
138.37897	0.3
151.00230	0.4
152.99474	0.8
156.85573	0.3
167.01073	1.7
169.20769	0.3
174.21030	0.3
185.02127	3.8
261.22141	0.4
271.02414	0.8
279.23288	100.0
280.23630	11.3
284.19354	0.4
300.02850	1.4
301.03500	0.9
447.09454	1.5
447.25131	4.9
448.25415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.0
60.01587	0.9
60.37013	0.4
61.98704	100.0
71.01262	2.5
71.02427	0.7
72.99202	0.5
73.02853	0.5
85.02841	1.1
89.02312	2.1
91.02839	0.4
93.03329	0.5
101.02325	1.7
102.02686	0.6
109.02898	0.6
113.02343	1.2
119.03429	0.6
125.02345	0.7
151.00192	0.6
161.04430	0.8
167.03435	0.5
167.09224	0.4
179.05606	0.6
191.05577	1.8
271.02524	0.6
272.02823	0.7
299.02112	1.1
301.03287	1.0
338.74982	0.5
388.20825	0.6
389.21811	0.7
448.09854	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.0
60.01587	0.9
60.37013	0.4
61.98704	100.0
71.01262	2.5
71.02427	0.7
72.99202	0.5
73.02853	0.5
85.02841	1.1
89.02312	2.1
91.02839	0.4
93.03329	0.5
101.02325	1.7
102.02686	0.6
109.02898	0.6
113.02343	1.2
119.03429	0.6
125.02345	0.7
151.00192	0.6
161.04430	0.8
167.03435	0.5
167.09224	0.4
179.05606	0.6
191.05577	1.8
271.02524	0.6
272.02823	0.7
299.02112	1.1
301.03287	1.0
338.74982	0.5
388.20825	0.6
389.21811	0.7
448.09854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
61.98705	1.1
63.02268	0.5
65.00194	0.6
68.61788	0.3
70.74902	0.9
71.01260	1.7
73.02819	0.5
73.13586	0.4
83.01267	0.6
85.02839	1.2
87.00754	0.8
89.02336	0.9
93.03320	1.9
93.69034	0.3
96.95893	0.6
101.02330	0.8
107.01286	0.7
109.02860	0.4
111.04350	0.5
113.02344	0.8
117.03368	0.4
119.03368	0.5
124.01553	2.9
124.07094	0.5
125.02367	0.7
135.00790	0.5
135.04408	1.0
137.02371	1.6
145.02879	1.0
151.00272	4.0
152.01060	1.6
155.10716	1.1
161.04535	0.6
163.00235	0.8
163.03786	0.5
164.01151	1.9
173.04492	0.4
175.03844	0.5
178.99817	4.3
187.07571	0.4
191.03763	0.6
191.05525	11.2
192.00630	0.4
193.01335	0.8
199.03790	0.4
199.09741	1.2
203.03430	1.1
204.04050	0.6
214.02672	6.6
215.03285	1.1
227.03430	0.6
232.03651	0.7
242.02161	5.4
243.02948	3.6
244.00693	0.5
244.03336	0.4
257.08090	0.8
259.02441	7.2
260.02902	0.4
270.01694	6.2
271.02472	35.9
272.02786	2.9
281.57742	0.4
287.01987	21.4
287.11444	1.1
288.02484	3.1
315.01468	0.7
316.02228	100.0
317.02762	15.8
318.03201	0.6
329.06564	1.1
341.72052	0.4
389.21683	1.1
449.07208	60.8
450.07520	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	449.0726
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
59.01250	3.2
61.98705	1.2
63.02262	0.6
65.00223	0.3
69.89960	0.8
69.90351	0.6
71.01269	1.1
73.02844	0.3
83.01269	0.9
87.00759	0.3
89.02353	1.0
93.03321	0.7
96.95912	0.3
99.00773	0.4
101.02369	0.5
107.01289	1.2
109.02839	1.1
113.02342	0.4
119.03547	0.3
124.01575	1.9
125.02358	0.8
135.00784	0.4
136.01569	0.8
137.02382	1.9
148.01578	0.4
149.04564	0.4
151.00264	6.0
151.01495	0.3
152.01067	1.2
158.03764	0.3
159.04395	0.5
161.04373	0.4
163.00272	1.3
164.01044	1.8
165.01753	0.7
178.99789	6.8
183.81352	0.3
187.03868	0.3
191.05556	2.4
192.00594	0.5
193.01349	0.4
199.03908	0.5
203.03458	1.2
204.04143	0.8
214.02643	7.0
215.03189	0.9
227.03474	0.7
231.02965	0.4
232.03699	0.5
242.02180	4.9
243.02966	3.9
243.06598	1.1
244.03517	0.7
259.02478	5.5
260.02853	0.8
269.04510	1.3
270.01718	7.3
270.04648	0.5
271.02478	35.8
272.02835	3.5
287.01987	22.8
287.04962	0.6
288.02499	3.5
299.02121	0.4
315.01480	1.0
316.02231	100.0
317.02856	25.2
318.03314	1.5
389.21777	0.8
400.77621	0.3
449.07211	60.7
450.07535	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	449.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52048	0.4
57.03370	1.3
59.00971	0.4
59.01248	8.9
65.00198	7.1
67.01817	0.4
70.40939	0.8
70.41323	0.5
71.01303	1.7
73.02858	0.5
74.26755	0.4
75.00739	3.3
81.03361	0.6
83.01252	3.0
85.02820	9.8
87.00745	2.4
89.02353	1.0
93.03337	3.8
95.01305	0.9
101.02381	1.2
106.68996	0.4
107.01272	9.3
107.01926	0.7
109.02839	2.0
110.00017	1.2
111.00780	0.7
111.04419	0.8
119.03468	0.5
121.69798	0.4
123.00797	1.4
123.04410	3.5
124.01569	2.4
125.02348	9.1
125.03239	0.6
127.03909	2.6
133.02888	1.6
135.00877	0.4
135.04465	1.3
136.98792	0.4
137.02368	0.7
137.99513	0.5
138.02737	0.4
139.00322	1.3
143.03491	0.4
145.02824	0.6
147.04465	0.6
149.02339	1.0
150.03137	6.9
151.00279	36.2
151.03915	6.0
152.01091	6.4
152.04305	0.5
153.01842	1.4
159.04398	0.5
161.02350	2.4
163.00325	1.1
164.01047	1.0
165.99031	1.1
169.01355	1.1
171.02910	0.5
171.04457	0.7
171.57434	0.4
172.05266	1.0
173.04501	1.7
173.05930	0.8
174.03107	0.7
175.03891	2.1
177.01857	1.5
178.99779	7.1
179.03484	0.7
179.99998	0.6
183.04422	0.9
185.30211	0.4
187.04002	1.2
187.07582	7.5
188.07863	0.5
191.05544	100.0
192.05885	3.8
198.03223	0.4
199.03960	1.9
201.01831	0.7
203.03371	0.6
204.04214	0.4
213.05486	0.9
213.09166	0.8
214.06238	0.5
215.03471	0.6
215.07053	1.4
217.04947	0.9
225.66312	0.4
227.03421	2.7
228.04126	0.7
229.08565	0.5
231.02988	0.7
231.06432	0.5
231.10175	1.0
241.05023	0.4
242.02022	0.7
243.02881	1.5
255.02928	1.2
257.08182	10.0
259.02475	0.8
269.19186	0.4
270.01627	1.2
271.02484	6.7
272.03033	1.6
273.03989	1.3
275.09247	1.0
285.04025	18.5
286.04230	1.3
287.01956	3.1
288.02481	1.3
297.09805	2.2
298.01154	0.5
299.02011	5.4
300.02527	0.5
302.04108	0.7
303.05096	6.8
304.05292	0.6
316.02240	10.2
316.99518	0.6
317.03006	9.1
318.03253	0.7
323.07574	1.5
389.21530	0.6
449.06830	17.4
450.07095	2.5
461.94745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
59.01255	5.7
59.87872	1.0
60.03771	1.0
65.00182	1.4
67.01769	1.3
71.01257	1.4
71.09419	2.2
81.03340	9.6
83.01270	4.8
93.03342	3.1
95.01286	1.5
95.04903	5.8
97.02820	7.5
99.04401	4.2
99.62773	1.0
100.34696	1.1
107.01279	3.7
107.04938	1.2
109.02869	3.3
111.04392	1.8
113.02316	1.8
114.12585	1.0
121.02833	2.8
123.00781	1.4
123.04391	8.1
125.02340	24.6
131.04904	1.7
133.02864	5.5
135.04402	3.4
136.26743	1.3
137.02354	5.8
138.03032	1.2
139.03946	3.0
139.20564	1.1
144.45348	1.3
145.64793	1.2
149.02362	3.8
151.00290	3.1
151.03999	1.2
152.01123	2.8
153.01817	3.4
154.56422	1.3
155.03462	1.2
159.04407	1.5
163.00241	1.1
165.01823	7.0
166.02646	10.7
167.03418	23.8
168.03784	1.4
175.03918	1.5
175.33916	1.1
176.01129	2.2
177.01831	4.4
177.05457	3.7
179.03400	2.2
191.03653	1.1
191.05579	3.7
193.01372	3.1
194.02206	2.1
195.02895	1.7
197.04526	5.1
201.05550	2.7
203.03508	2.2
213.05510	1.2
214.06329	1.2
215.07063	3.0
221.00870	2.2
241.04980	1.7
243.06664	2.9
255.06552	1.4
257.08145	1.8
259.06122	8.6
283.06088	1.3
285.07751	3.6
287.05615	4.1
301.07208	26.0
302.07449	3.1
311.05600	3.7
315.08801	1.8
329.06668	100.0
330.06909	11.8
330.33615	1.1
331.08203	7.4
341.06601	2.3
359.07700	34.2
360.08157	4.3
371.07666	2.3
389.09152	1.5
431.09836	4.6
449.10913	30.1
450.11258	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40615	0.7
53.66106	0.6
57.03358	2.6
59.01256	10.7
61.98723	0.8
63.02294	0.9
65.00197	14.7
66.00562	0.9
67.34035	0.6
70.78373	1.3
70.78703	0.6
71.01292	2.0
71.39043	0.6
83.01262	6.6
85.02822	4.8
87.00805	2.0
89.02332	1.5
93.03378	2.7
93.66915	0.6
95.01321	0.9
101.02338	0.8
107.01273	21.1
108.02111	0.7
109.02859	3.9
110.00018	1.5
111.00777	1.4
111.04422	1.0
113.02380	0.8
121.02927	0.6
123.00778	2.5
123.04416	6.8
123.36959	0.6
124.01547	3.3
125.02342	21.4
127.03912	1.3
133.02869	2.5
135.04401	1.4
136.98743	0.8
137.02330	1.0
137.99503	0.8
139.00282	2.2
145.02930	0.7
147.04478	0.6
148.01697	0.7
149.02348	2.4
150.03131	14.3
151.00279	100.0
151.03908	16.8
152.01070	14.7
152.04285	0.9
153.01799	2.6
159.04388	0.8
161.02348	1.3
163.00279	1.9
164.01044	1.8
165.98926	1.7
166.99712	1.0
169.01350	2.3
171.04398	1.4
173.05969	0.9
174.03091	1.0
175.03864	4.2
176.01042	1.0
177.01846	4.2
178.99774	17.8
180.00124	1.1
181.01401	1.1
187.03918	1.4
187.07558	4.4
191.05547	57.5
192.05858	2.4
197.05986	0.7
198.03113	0.7
199.03903	3.9
200.04543	0.8
201.01865	1.1
201.05304	0.8
202.06215	0.8
203.03349	1.1
211.03825	0.8
213.05473	1.4
213.08990	0.8
214.02467	1.0
215.03439	1.6
215.07031	1.6
216.04263	0.8
217.04984	1.7
226.02759	0.7
227.03426	2.1
228.04147	0.9
231.02861	1.1
231.06561	0.9
231.10101	1.7
232.03664	0.9
240.04262	0.7
241.04912	2.1
242.02103	1.2
243.02975	3.3
244.03377	0.7
255.02930	1.7
257.04358	1.3
257.08151	5.8
259.02264	1.8
259.05975	1.2
270.01566	1.7
271.02463	11.9
272.03140	3.5
273.03741	2.8
275.05756	0.7
275.09076	2.3
285.04050	44.1
286.04416	4.7
287.01929	7.0
288.02640	3.7
297.09778	4.6
299.01941	8.3
300.02219	1.4
302.04257	3.1
303.05148	16.5
304.05331	1.8
316.02240	25.2
317.02951	18.3
323.07462	2.3
389.21686	1.6
449.06772	32.7
450.07016	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	449.1088
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03321	10.7
59.01251	56.4
60.43429	0.6
61.98468	0.6
61.98709	6.6
63.02270	1.2
65.00193	3.8
67.01756	0.7
69.75584	3.3
71.01237	3.7
71.47829	0.8
73.02830	0.8
78.82990	0.8
81.03318	2.3
83.01256	8.9
85.02805	1.6
89.02314	1.7
93.03354	3.0
97.02831	1.7
101.02325	2.7
107.01280	5.2
107.04917	1.9
108.02069	0.8
109.02834	1.4
111.00774	1.0
113.02348	1.5
117.03372	2.2
119.03416	0.9
121.02849	1.3
123.04412	1.1
124.01579	1.2
125.02335	100.0
126.02662	2.6
130.04018	0.6
130.82646	0.7
133.02847	2.3
134.03694	1.0
135.04398	0.8
137.02289	0.7
139.03914	1.7
149.02348	10.0
150.02942	0.8
151.00282	21.9
152.01077	4.6
153.01871	6.4
157.06485	1.4
159.04402	1.5
161.04445	2.8
163.00327	1.0
165.01836	2.0
167.03484	1.2
169.06448	1.2
172.05293	1.1
173.06024	4.4
175.03906	1.6
176.01012	2.0
177.05495	2.7
178.99796	15.7
179.03377	5.3
183.04543	0.7
191.03807	0.8
191.05525	2.4
196.05310	0.8
197.06041	2.2
199.03944	0.7
199.07545	1.8
201.05565	3.9
213.05444	0.9
215.07094	5.3
216.07420	0.8
220.31044	0.7
225.05495	4.3
227.03278	0.7
241.05038	2.7
243.06596	5.8
259.06100	83.0
260.06485	8.6
269.04541	78.3
270.04929	8.3
283.06119	1.1
287.05612	66.8
288.05942	6.4
311.05685	2.2
342.05972	2.3
376.69812	0.7
389.21783	3.5
421.10867	0.9
431.09982	1.6
449.10873	73.7
450.11261	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52169	0.3
57.03315	0.8
57.51873	0.2
59.01250	7.8
61.98702	0.8
62.68280	0.2
65.00198	2.5
67.01743	0.6
69.49512	0.6
69.49918	1.4
71.01258	1.9
71.58321	0.3
73.02787	0.3
75.00746	3.8
83.01258	0.9
83.04898	0.7
85.02827	10.3
87.00753	2.7
89.02330	0.6
89.38803	0.3
93.03340	4.1
95.01257	0.8
96.95863	0.3
99.04397	0.8
101.02318	0.7
107.01267	3.1
109.02821	1.7
110.00021	0.3
111.00758	0.6
111.04398	1.0
123.00782	0.5
123.04409	1.0
124.01560	0.7
125.02341	3.4
127.03912	2.4
133.02820	1.3
135.00841	0.3
135.04416	1.7
137.02280	0.4
139.00299	0.6
145.02789	0.5
149.02318	0.4
149.05988	0.4
150.03102	1.8
151.00284	13.6
151.03911	2.2
152.01099	2.6
153.01828	1.1
161.02347	3.7
161.04413	0.4
163.00284	0.5
163.04027	0.4
165.99004	0.5
166.23724	0.2
169.01311	0.3
171.02914	0.7
171.04315	0.3
172.05214	1.6
173.04445	1.4
174.03188	0.4
175.03951	0.8
177.01773	0.5
178.99803	2.9
179.03394	1.6
187.03978	0.5
187.07593	7.0
188.07852	0.5
191.05545	100.0
192.05873	4.4
199.03928	1.3
200.04573	0.5
201.05473	0.3
211.07584	0.5
213.09128	1.2
214.02632	0.3
215.03426	0.4
215.07057	1.7
216.04256	0.3
217.05235	0.4
221.04366	0.4
227.03383	1.7
228.04170	0.8
229.08595	0.7
231.02948	0.4
231.06593	0.4
231.10269	1.0
241.05043	0.4
242.02132	0.4
243.02910	0.8
255.03081	0.4
257.08185	8.4
258.08667	0.8
259.02606	0.3
271.02472	2.7
272.03220	0.9
273.04031	0.5
275.09158	0.8
285.04077	5.3
286.04462	0.5
287.01999	2.2
287.12851	0.3
288.02664	0.5
289.03510	0.3
297.09930	0.5
299.01926	2.0
302.04269	0.5
303.05060	1.7
304.05496	0.3
316.02240	4.6
317.03027	3.2
323.07855	1.4
323.11444	0.3
389.21921	0.5
449.06540	5.5
449.23755	0.4
450.07645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01252	2.7
61.98693	0.3
62.96283	27.8
71.54088	0.3
78.95778	66.9
80.97347	35.3
96.95896	0.4
114.55708	0.4
133.75908	0.3
140.38232	0.3
140.47501	0.4
149.00000	16.1
151.01561	0.6
179.01118	2.1
205.15923	9.9
206.16248	0.8
242.98248	5.8
243.98711	0.5
253.63528	0.4
285.12640	1.9
301.03146	0.5
302.03433	1.0
303.04004	0.5
337.29269	0.3
355.16785	19.5
356.17120	2.4
385.17847	22.9
386.18216	2.7
449.14990	100.0
450.15326	13.4
466.80096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1505
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.21423	0.6
59.01257	6.5
62.96289	28.7
71.09583	0.7
78.93082	0.7
78.95786	69.1
80.97354	35.1
98.19773	1.7
104.96756	0.7
149.00023	15.7
150.00397	0.8
152.99518	3.1
179.01057	1.4
189.03481	0.8
196.57008	0.7
203.58139	0.7
205.01955	0.7
205.15942	7.2
242.98286	5.1
271.02332	0.8
285.12619	1.6
292.96387	0.7
301.03391	0.9
302.03552	1.6
303.03973	1.3
305.30710	0.7
355.16827	17.6
356.17157	2.9
385.17883	23.2
386.18289	3.0
449.14984	100.0
450.15448	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	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61414	0.2
56.51957	0.2
59.01255	2.7
62.92869	0.2
66.54721	0.2
71.53498	0.2
78.95780	51.9
96.96848	6.2
98.20309	0.3
100.04772	0.2
120.68630	0.3
121.06490	0.3
121.24188	0.2
150.97908	1.8
152.99495	100.0
153.99834	2.1
171.00569	4.7
175.70023	0.3
295.22668	0.6
302.03348	0.3
357.66928	0.3
389.21539	0.3
449.09427	0.8
449.22937	10.9
450.23178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79105	0.5
59.01253	100.0
60.01584	1.2
61.98710	1.4
71.01254	8.4
71.09453	1.0
72.99174	0.7
73.02829	1.8
75.00758	0.8
82.81430	0.5
83.01287	0.6
85.02818	3.4
87.00766	1.1
89.02327	6.1
93.03338	2.4
95.01328	0.4
99.00766	1.2
101.02332	5.9
109.02823	2.8
113.02361	3.1
119.02666	0.4
119.03364	2.6
125.02328	3.3
133.02861	1.7
135.04440	1.3
143.03404	0.7
149.02406	1.1
151.00302	0.6
153.01830	0.6
159.03030	0.5
161.02417	0.6
161.04497	3.2
173.04449	1.0
177.01880	12.3
178.02197	1.1
179.03491	0.9
179.05602	1.4
191.05556	8.0
227.16499	1.1
234.67938	0.5
259.06265	2.1
269.04642	2.0
287.05646	4.0
288.05795	0.6
289.84311	0.5
373.08499	0.6
389.21844	4.7
449.11057	2.2
469.12445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
59.01251	100.0
60.01587	1.7
61.98705	0.9
67.01749	0.4
71.01253	6.6
71.53400	0.7
71.64917	0.4
72.01614	0.5
73.02831	1.7
83.01267	0.9
85.02831	2.6
87.00784	1.3
89.02320	4.6
91.33777	0.4
93.03345	2.1
95.01304	0.5
96.95872	0.4
99.00789	0.8
101.02312	5.5
105.29699	0.4
109.02846	1.4
111.00757	0.5
113.02359	2.3
119.03426	1.7
127.03857	0.7
131.03447	0.5
135.04449	0.8
143.03439	0.7
145.08638	0.5
149.02367	0.6
149.04449	0.7
151.00237	0.7
159.04471	0.5
161.02429	0.4
161.04433	3.1
173.04512	1.5
177.01991	0.4
179.03473	0.8
181.33218	0.4
191.05527	7.8
192.05934	0.5
193.01524	0.4
193.04977	0.6
215.03452	0.5
222.62402	0.5
227.16588	1.3
251.09641	0.4
259.02539	0.6
283.21103	0.5
287.02014	2.8
295.06305	0.6
389.21826	10.2
389.26648	0.6
390.22202	1.0
449.07608	1.1
450.11896	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	450.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70928	0.9
59.01254	13.1
61.98706	100.0
67.01747	0.7
69.53437	5.3
71.01250	5.2
73.02821	1.8
79.95617	2.9
85.02837	3.8
88.28441	0.8
89.02320	2.5
93.03354	4.3
94.03657	1.7
96.95895	71.2
101.02325	2.9
109.02809	4.5
110.67826	0.8
113.02305	2.7
116.89465	0.8
119.03415	0.9
123.04444	2.0
133.02870	1.8
151.03937	2.1
161.02357	1.1
173.04501	2.8
174.04839	1.2
177.01854	5.9
181.12270	11.0
189.01872	7.2
190.02580	2.4
191.03642	1.7
191.05563	6.0
192.05844	1.4
216.00629	1.1
217.01355	7.2
219.02937	3.0
225.11273	19.1
226.11569	1.1
231.02927	2.6
276.09576	1.1
287.22076	0.8
289.07700	1.0
302.03265	1.1
341.06674	16.8
387.16556	1.1
408.08142	1.0
450.09320	1.4
450.15186	1.9
450.27917	1.7
451.06445	16.2
451.20581	1.1
451.27911	1.0
458.80441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46140	0.5
59.01254	10.4
61.98706	100.0
67.01771	0.9
71.01250	4.8
73.02835	2.1
78.95802	0.7
79.95620	2.4
81.03358	0.6
82.57299	0.6
85.02834	2.2
87.00773	1.0
89.02332	2.4
93.03351	3.7
94.03670	1.1
96.95896	38.4
101.02339	2.8
109.02850	8.0
112.02251	0.6
113.02365	1.7
119.03389	0.8
119.04919	0.9
121.02873	0.9
123.04429	4.7
125.02309	0.7
133.02841	1.9
135.04378	1.1
137.06093	0.6
145.02898	1.2
146.56502	0.6
147.04463	1.7
151.03915	2.7
161.02382	2.6
161.04463	1.3
163.11194	1.0
173.04503	2.0
174.04817	0.9
177.01860	9.7
181.12282	10.6
181.13750	1.0
182.12619	0.7
187.03951	0.8
189.01845	19.2
190.02646	3.4
191.03476	4.2
191.05586	5.6
192.05923	2.3
203.03485	2.2
207.10342	0.8
216.00618	2.6
217.01381	13.7
218.02223	0.6
219.02971	5.3
225.11298	19.1
226.11711	1.0
231.03012	3.5
232.10533	0.6
235.06036	0.6
259.74146	0.6
267.06680	0.8
269.44678	0.6
276.09460	0.8
278.73221	0.6
289.07471	1.0
291.08252	0.6
303.03857	1.1
323.05429	0.8
341.06674	34.4
387.16650	1.4
388.03824	0.7
390.22211	0.8
408.08383	1.2
450.10056	1.5
450.15292	1.2
450.20697	0.8
450.27750	1.4
451.06915	4.2
451.10907	5.2
451.20547	2.1
469.13263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	13.3
61.98708	93.3
68.82365	0.7
69.27547	1.5
69.27959	4.9
71.01255	5.6
73.02826	1.9
79.95621	5.4
83.01273	0.8
83.04914	0.9
85.02833	2.7
87.00750	1.8
89.02315	2.2
93.03329	3.5
94.03651	1.1
96.95900	100.0
101.02334	3.3
105.10169	0.7
109.02879	3.5
109.03495	0.8
113.02326	2.2
119.03386	1.7
120.99522	1.0
123.04417	1.9
125.02336	1.0
125.31183	0.7
134.03674	1.1
137.02386	1.6
145.02818	1.0
146.30463	0.7
150.03139	0.7
151.03958	0.8
161.02510	0.8
161.04405	0.8
163.11266	0.8
173.04475	2.2
174.04877	1.5
177.01900	3.2
181.12282	8.7
182.12578	0.8
189.01872	4.8
190.02719	0.8
191.03638	1.6
191.05537	4.4
192.05858	1.2
199.09789	0.8
203.03476	0.8
216.00752	1.4
217.01402	4.0
219.02910	1.4
225.09227	1.5
225.11304	17.7
226.11629	1.2
231.02786	1.3
267.06708	1.3
287.22485	0.7
326.08145	1.1
341.06723	10.5
387.16751	1.0
390.22122	1.6
409.08023	1.0
436.10364	0.7
450.09641	1.4
450.14923	1.1
450.28128	2.0
451.06897	26.4
451.20297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32959	0.9
78.95778	1.3
85.02825	4.4
93.03331	2.0
96.95904	12.5
111.04413	1.1
126.75254	0.9
135.04410	2.2
140.25836	1.0
161.02351	2.3
169.42883	0.9
179.03348	1.0
191.05562	100.0
192.05896	4.3
291.40662	1.1
353.08807	18.0
354.09106	2.3
410.78452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34663	0.4
69.86919	0.5
71.03429	0.7
71.43350	0.4
81.03327	0.7
81.78947	0.4
89.03857	0.7
91.01788	0.5
93.03333	0.5
95.04911	1.1
100.04751	0.4
103.05376	0.6
105.03307	0.6
108.02042	1.3
109.02837	32.1
110.03156	1.3
117.03374	0.7
119.04913	1.4
121.02853	1.2
123.04401	15.6
124.04760	0.8
125.02393	0.7
131.04927	0.6
133.02866	5.2
134.03644	1.2
135.00763	0.7
137.02347	1.5
145.02855	2.1
147.04408	4.6
148.01570	0.6
149.02315	1.6
150.03107	1.4
151.03903	8.1
159.04417	1.3
161.02348	10.2
161.03691	0.7
162.03157	3.0
163.03903	2.7
173.02357	1.0
175.03920	0.8
176.01030	1.2
177.01851	34.3
178.02197	2.0
187.03966	3.1
189.01859	65.1
190.02577	17.6
191.03426	12.0
192.03835	0.6
201.01805	0.9
203.01765	0.8
203.03444	6.4
214.02679	0.4
216.00575	10.2
217.01370	39.2
218.01888	5.1
219.02925	14.5
219.05055	0.7
220.03256	0.8
227.07054	0.9
229.08621	0.6
231.02963	12.8
232.03525	1.7
233.04399	1.0
237.05476	0.6
241.05373	0.5
255.06473	0.6
281.04541	4.2
282.05054	0.7
287.05441	0.8
289.07220	1.4
295.06128	0.6
297.07733	2.0
299.05646	4.7
323.05637	1.5
341.06641	100.0
342.06998	12.4
357.06314	1.1
451.10358	19.0
452.10660	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.6
57.03315	0.6
58.00481	0.6
59.01252	7.8
61.98704	8.9
65.63454	0.6
69.27277	4.3
71.01251	6.1
72.99197	0.7
73.02815	2.1
78.95767	0.8
79.95612	1.9
83.01261	2.0
85.02834	3.7
87.00751	0.7
89.02320	2.4
93.03338	1.6
95.01308	0.6
95.04918	1.9
96.95892	33.5
97.02814	0.7
99.00759	1.1
101.02331	5.4
108.02065	1.0
109.02837	26.2
110.03195	1.1
113.02332	2.9
117.03344	1.2
119.03383	0.9
119.04906	2.0
120.99517	1.6
123.04414	13.6
125.02336	1.4
133.02841	3.3
135.04405	1.1
135.14012	0.7
137.02365	0.9
145.02855	2.3
147.04430	4.3
149.02361	0.9
150.03128	0.7
151.03918	6.5
159.03059	0.8
159.04449	1.7
161.02361	6.6
161.04501	2.0
162.03133	0.9
163.00227	0.7
163.03860	0.9
176.01010	1.2
177.01857	24.0
178.02245	1.5
179.03340	0.7
180.45790	0.6
187.03860	1.4
189.01857	51.7
190.02606	13.3
191.03406	10.4
191.05518	3.9
203.03429	5.5
216.00578	8.9
217.01373	36.4
218.01883	4.3
219.02942	15.5
220.03322	0.9
226.11696	1.1
231.02963	11.1
232.03601	0.7
233.04558	0.9
239.06909	0.6
281.04422	1.6
289.07242	2.0
289.23846	1.3
297.07687	1.2
299.05750	0.8
311.05573	0.8
318.02869	0.6
323.05597	2.2
329.06332	1.5
341.06644	100.0
342.06992	12.2
435.12808	0.7
451.10925	19.6
451.19888	4.9
451.28928	6.6
452.10483	2.7
452.19537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25148	3.3
52.37951	3.7
59.01252	82.0
61.98702	10.5
70.68094	8.9
71.01257	42.5
72.99171	5.9
73.02809	16.3
78.96953	3.2
79.95601	5.6
81.03320	5.2
83.01246	8.9
85.02811	17.0
87.00733	4.7
89.02306	26.3
93.03310	6.4
95.01276	5.7
95.04881	7.6
96.95894	100.0
97.02819	7.1
99.00751	7.1
99.13796	3.8
101.02324	39.0
109.02902	6.3
113.02316	14.8
119.03377	11.2
123.04393	11.4
125.02328	17.5
131.03430	3.9
135.04414	10.3
139.03859	3.9
149.04498	4.7
155.24471	4.0
161.04477	6.1
167.03412	33.5
179.03503	5.7
179.05489	5.6
191.05531	15.4
197.04626	4.9
199.61914	3.8
209.04510	22.0
221.04437	5.3
239.05533	4.8
271.02570	3.6
289.07266	7.8
289.20132	8.9
316.02240	6.3
318.02872	16.5
319.17374	7.7
331.08206	65.9
332.08511	7.9
347.17236	26.3
361.09250	16.1
365.18158	57.4
366.18539	5.0
407.19193	68.9
408.19202	6.1
417.81244	3.7
451.07529	8.9
451.12759	12.2
451.25427	15.3
455.02689	4.0
479.45227	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	451.2008
Annotation	Dihydrogeranylgeranyl diphosphate
Peak:m/z	Relative Intensity
57.03316	0.4
59.01254	1.5
69.03391	0.3
69.43051	2.1
71.01249	0.9
73.02818	1.1
79.95610	19.3
80.96389	9.0
85.02810	0.7
87.00760	0.4
89.02348	0.4
93.03319	1.6
95.95106	0.3
96.95890	97.3
99.00792	0.3
102.98435	0.3
123.08034	0.6
125.09602	1.8
128.52518	0.3
137.09642	0.4
139.11200	0.5
141.12804	0.6
151.11189	0.4
155.10651	0.4
169.12329	0.5
170.20293	0.3
171.10173	4.5
173.04468	0.8
174.04959	0.3
175.05000	0.4
185.11722	0.8
191.05606	1.6
192.05893	0.7
193.06058	0.3
215.12915	0.5
223.37848	0.3
227.12723	0.3
230.00468	0.3
311.22327	0.3
323.22137	0.4
341.23318	8.1
342.23648	0.6
353.23239	1.0
354.09073	0.3
369.22650	0.7
371.24362	25.6
372.24634	2.8
421.19009	5.0
422.19385	0.5
451.20053	100.0
452.14081	0.7
452.20380	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	451.2125
Annotation	CHEBI:67869
Peak:m/z	Relative Intensity
52.07316	1.1
55.56684	1.2
59.01244	1.8
69.87634	5.7
71.85555	1.0
85.14156	1.0
93.28049	1.2
96.95857	1.7
175.09917	1.1
175.86676	1.1
220.14613	5.4
221.15395	2.8
236.10469	2.2
245.76891	1.2
253.12360	2.7
333.18527	2.0
334.03485	2.0
334.07330	32.3
335.07822	4.1
337.13263	2.1
351.11243	3.2
351.19687	9.4
352.19943	1.4
377.21268	7.6
378.21225	1.4
379.22775	14.6
380.23224	2.3
389.21500	5.6
391.14520	5.4
405.20590	9.8
406.21069	1.8
407.22272	100.0
408.22644	15.1
421.20200	1.2
423.21774	2.9
451.15067	2.3
451.21274	26.0
452.21585	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96814	1.3
59.01253	100.0
60.01587	2.2
61.98672	2.0
70.55857	2.3
70.56203	4.1
71.01266	4.1
72.99202	2.4
73.02850	1.5
83.05366	1.5
85.02816	3.3
89.02319	3.2
93.03327	2.4
96.95903	5.1
101.02313	3.8
106.08372	1.8
108.03487	1.3
109.02779	1.6
113.02297	2.1
114.21763	1.4
119.99563	1.3
122.91096	1.3
125.02372	1.6
134.12344	1.3
135.04420	1.5
161.04434	2.3
169.06316	1.5
173.04512	2.4
191.05536	16.2
211.40273	1.3
229.84593	1.8
277.08264	1.8
391.23227	4.9
478.45834	1.7
478.52878	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	451.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
60.01572	1.4
61.98705	1.0
69.43988	2.9
69.44422	2.6
78.18919	0.7
78.95788	2.4
79.80120	0.7
81.03336	3.1
83.04912	11.0
96.95951	1.0
105.65044	0.7
121.17953	0.7
191.05534	1.8
391.29721	39.7
392.29898	5.7
418.07910	0.8
451.05252	1.2
451.15442	2.4
451.27277	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	451.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31837	0.2
57.03328	0.8
58.06321	0.1
59.01237	0.3
64.94608	0.1
67.05402	0.2
71.04912	0.2
83.04885	0.2
85.06477	1.7
95.04900	0.2
97.05880	0.3
97.06476	4.4
98.20332	1.1
99.04422	0.3
99.39148	0.2
111.04400	0.2
153.09192	0.7
225.01587	0.2
235.14809	0.2
241.15959	0.3
264.15189	0.4
266.02289	0.2
267.17599	0.2
269.19168	0.2
279.17560	0.5
281.19089	0.3
295.16870	0.2
295.20605	0.2
329.38583	0.2
345.22174	0.3
347.23871	0.4
359.23868	0.3
361.29166	0.3
363.26941	0.2
373.25290	0.5
374.26068	0.3
375.26910	2.3
376.27377	0.4
389.24585	0.2
391.30066	4.4
392.30518	0.6
405.27905	0.6
407.25940	0.5
407.33069	0.5
408.26453	0.4
423.28903	0.3
439.32492	0.2
451.32190	100.0
452.32523	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32911	0.2
56.93456	0.2
58.02841	0.5
59.01250	1.8
61.98711	2.4
69.28155	1.9
71.01228	0.7
72.99197	0.3
73.02830	0.3
80.04932	0.4
81.03328	9.3
82.03661	0.5
83.04898	26.3
84.05219	0.9
85.02809	0.6
93.03323	0.3
94.22565	0.3
94.87519	0.3
96.95905	2.2
100.07558	0.3
101.02342	0.9
101.06012	0.2
107.06039	1.0
108.04425	1.1
109.02818	0.5
113.34579	0.2
125.07088	3.6
126.05490	0.6
135.04430	0.7
143.08170	1.9
149.44919	0.2
151.00301	0.4
161.02339	0.5
161.04488	0.4
176.98900	0.3
182.79041	0.3
189.01863	0.5
191.05556	1.1
193.05959	0.4
196.64569	0.2
200.13200	0.3
207.14975	3.7
208.13242	0.3
217.01384	0.5
224.17644	5.4
225.16032	13.3
225.17763	0.6
226.16325	1.2
242.18735	1.6
264.72729	0.3
268.16556	0.5
271.02496	0.6
277.10910	0.6
288.02716	0.8
289.03552	0.6
290.22668	0.3
306.21747	0.3
309.21988	0.4
324.26584	2.2
333.22949	5.5
334.23264	0.5
339.27560	0.3
341.06693	0.6
351.24042	1.3
367.27057	1.0
385.27957	0.5
391.23361	0.6
433.31866	6.0
434.32281	1.2
451.09109	1.2
451.32892	100.0
452.33240	16.4
452.38196	0.4
471.14160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.60537	0.2
56.03723	0.2
58.10061	0.2
62.96289	0.3
63.84682	0.2
68.69411	0.2
69.97607	0.7
70.29260	0.2
72.52313	0.2
74.51196	0.2
78.95780	18.9
88.61192	0.2
98.19887	0.4
98.20432	0.4
122.00011	0.6
134.98410	0.3
140.01091	5.2
152.99509	1.5
196.03740	10.5
197.04080	0.3
214.04808	2.3
255.23285	100.0
256.23627	10.8
256.26416	0.4
452.27844	23.6
453.28183	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	453.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84604	0.1
51.91401	0.2
53.18937	0.1
59.01255	0.2
61.97859	0.2
65.22056	0.1
70.01177	0.1
73.06215	0.1
74.28274	0.1
79.95612	5.3
89.97482	0.2
96.95898	100.0
97.95832	0.2
106.78748	0.2
110.97467	0.6
121.02855	0.5
137.02339	0.3
144.27364	0.2
145.02853	0.2
147.04469	0.2
151.03925	0.4
174.30370	0.2
241.04970	0.2
268.07410	0.4
269.08188	1.1
270.08896	0.2
283.09766	1.5
284.10403	0.6
295.09888	0.2
311.09344	0.3
311.54272	0.2
328.09586	0.5
340.09436	0.5
343.07672	0.2
343.11963	0.6
347.80139	0.2
355.11786	0.2
453.08630	44.7
454.08978	5.8
463.12802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
61.98698	0.3
71.01254	2.0
71.53989	0.3
72.99191	0.3
73.02800	0.8
79.95604	2.3
83.01256	0.4
85.02827	0.8
87.00764	0.7
89.02332	1.2
96.95890	100.0
99.08037	1.0
101.02327	1.1
103.03878	0.3
107.03690	0.4
122.06007	1.2
131.03421	0.6
132.04469	3.7
135.04385	0.4
140.18561	0.3
143.03406	0.5
145.08623	2.8
150.05383	0.3
152.07074	5.5
154.01459	0.3
163.06000	0.4
176.03540	0.4
190.05081	0.3
191.05562	0.7
269.12946	0.5
297.12408	2.3
298.12677	0.4
313.12009	0.8
333.08707	0.4
341.11407	4.9
342.11707	0.8
355.13022	0.4
373.14093	2.3
400.09866	0.4
421.07132	5.9
422.07419	0.7
431.98746	0.3
435.08572	1.3
436.08148	0.4
453.09683	17.8
453.19458	6.5
454.10114	2.3
454.19971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10260	0.3
55.01746	0.4
55.03024	0.2
57.03325	0.5
59.00958	0.3
59.01251	4.9
69.50799	1.7
71.01253	7.1
72.99175	0.3
73.02822	3.6
75.84386	0.3
79.95620	2.7
83.01263	1.3
85.02831	3.2
87.00729	0.4
89.02323	1.6
95.01292	0.3
96.95894	100.0
97.02825	0.4
97.95837	0.6
99.00745	1.3
101.02324	6.7
108.04466	0.6
111.00752	0.6
113.02318	2.8
115.03905	0.3
119.44872	0.3
120.99617	0.3
122.06018	1.8
125.02343	0.5
131.03384	0.3
132.04453	4.0
133.39444	0.2
134.06004	0.4
143.03458	0.4
149.04424	0.4
152.07079	5.3
153.07452	0.3
159.02884	0.5
159.90024	0.3
161.04442	2.6
176.03488	0.6
190.05037	0.5
191.05501	0.5
208.06108	0.3
233.06578	0.4
269.13055	0.5
273.04575	0.3
297.12509	2.0
308.02475	0.3
313.11908	0.9
321.19189	11.4
322.19437	0.7
341.11411	5.6
342.11859	0.6
355.12939	0.6
373.14163	2.4
421.07025	1.8
435.08578	2.8
453.09735	30.2
453.23322	15.3
454.09973	4.7
454.23776	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	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88160	0.4
55.01768	0.4
57.03347	0.5
57.53053	0.4
58.00480	0.7
59.00959	0.9
59.01254	18.2
63.20660	0.4
66.90742	0.4
69.33609	2.9
71.01254	10.7
72.99197	1.1
73.02834	1.1
79.95647	0.8
81.03353	0.4
83.01276	1.0
85.02837	2.0
87.00777	0.9
89.02311	10.4
95.01277	0.8
96.95886	6.0
99.08035	12.6
101.02332	7.4
113.02320	4.8
113.02958	0.5
117.03353	12.2
118.03681	0.6
119.03443	4.6
119.04919	17.5
120.05235	0.8
121.02850	0.5
127.07549	2.0
129.09126	1.8
130.68262	0.4
133.06491	1.1
141.09140	1.4
145.02859	55.2
145.08606	43.6
146.03236	2.6
146.08920	1.8
149.04562	0.5
161.04657	0.7
161.05986	2.6
163.03922	20.2
164.04185	0.5
177.05502	1.3
179.05554	0.8
187.09685	1.1
202.21213	0.4
205.05042	2.4
240.40041	0.4
243.91174	0.4
249.09758	0.4
254.19971	0.4
265.07089	1.3
267.88425	0.4
277.75916	0.4
289.12930	0.7
298.07205	0.4
307.13974	100.0
308.14346	7.7
313.24026	0.5
373.26065	1.0
453.17313	32.2
454.17834	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	453.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41018	0.5
52.84506	0.5
57.03323	1.5
59.01254	10.1
61.71023	0.4
62.51080	0.4
71.01254	5.7
71.54275	0.6
73.02813	1.2
79.95609	14.8
80.96395	7.8
83.01295	0.5
85.02833	1.5
86.85697	0.4
87.00740	0.8
89.02319	5.6
89.89925	0.5
93.03288	0.6
95.95145	0.7
96.95892	94.9
99.08041	7.0
101.02322	4.6
113.02334	2.7
117.03345	5.7
118.77136	0.5
119.03444	3.2
119.04911	9.7
125.09626	1.9
127.07525	1.4
127.11290	0.6
129.09117	0.7
133.06465	0.6
137.09589	1.2
145.02858	28.0
145.08607	23.6
146.03226	1.5
146.08977	0.9
155.10802	0.6
161.04723	0.4
161.05956	2.3
163.03926	11.7
164.04230	0.7
171.10175	5.4
177.05508	0.7
187.09818	0.8
205.05032	1.4
265.07205	0.9
307.13989	54.4
308.14276	3.9
355.25082	0.8
371.24567	1.9
373.25931	34.6
374.26221	4.2
453.21899	100.0
454.22198	13.0
454.27789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89024	0.5
55.01762	0.6
56.33058	0.4
57.03330	0.6
58.00474	0.4
59.01254	15.2
61.98688	0.5
69.03331	0.5
70.30300	0.8
71.01254	8.4
72.99175	1.8
73.02824	9.1
75.00741	0.6
83.01241	0.7
85.02823	3.0
85.99950	0.7
87.00753	5.1
87.04395	2.4
89.02322	4.3
96.95883	0.7
97.02836	0.7
99.00763	0.7
99.08035	12.7
101.02328	10.3
103.03886	3.3
104.66223	0.4
113.02336	2.2
115.03879	4.4
119.03381	1.7
121.49027	0.4
125.02349	1.1
127.07591	1.0
129.09108	1.0
131.03407	6.5
141.09065	1.6
143.03398	8.2
145.04941	1.6
145.08611	40.3
146.08948	1.6
163.06035	3.0
187.09694	0.5
205.07114	7.4
288.08542	0.5
453.19769	100.0
454.13766	0.7
454.20068	12.6
467.43167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.216
Annotation	Tetrahydrogeranylgeranyl diphosphate
Peak:m/z	Relative Intensity
57.03313	0.7
58.00443	0.5
59.01258	9.0
69.42264	2.8
71.01255	4.6
72.99187	0.6
73.02829	1.2
75.10956	0.5
79.95612	15.2
80.96390	8.1
85.02827	0.9
89.02323	5.7
95.33045	0.5
96.95893	98.0
99.08039	5.5
101.02325	3.6
111.08002	0.5
113.02357	2.0
115.47672	0.6
117.03362	5.2
119.03412	2.3
119.04920	8.9
125.09625	1.1
127.07560	0.8
127.11156	1.0
127.55766	0.4
129.09103	0.7
133.06392	0.7
139.10239	0.5
141.09128	1.0
145.02863	23.4
145.07466	1.1
145.08606	18.8
145.09708	1.1
146.03163	1.5
146.08984	0.6
155.10706	1.3
161.04631	0.5
161.06020	1.5
163.03932	8.8
171.10172	5.2
187.09737	0.9
188.34111	0.5
200.02580	0.5
205.05014	1.1
229.14468	0.8
235.06125	1.0
307.13977	46.0
308.14355	4.6
327.21756	0.7
355.24982	1.3
371.24600	2.2
373.25934	36.2
374.26288	4.9
453.21866	100.0
454.22168	15.7
468.71579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.6
59.01252	28.9
61.98709	3.9
62.03708	1.4
69.49888	1.4
71.01263	11.5
71.34303	2.0
73.02811	5.0
79.79444	1.4
79.95605	3.2
87.90549	1.3
88.57210	1.2
89.02309	2.3
96.95895	100.0
101.02348	2.1
103.03890	10.1
106.75754	1.4
107.07548	1.2
108.67532	1.3
125.02352	1.4
145.02869	3.5
157.04929	4.2
171.10143	1.5
174.08434	1.3
247.08319	6.8
313.23953	1.8
343.24750	7.8
353.41110	1.5
355.24921	3.3
373.25919	10.6
453.21753	65.0
454.21997	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	453.3376
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
71.17144	0.4
80.87946	0.4
85.06454	0.9
95.04904	0.4
97.06458	0.4
117.05440	0.4
225.15076	0.4
282.96695	0.4
453.33752	100.0
454.34048	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	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.5
61.98701	2.2
62.32013	0.5
64.08628	0.5
69.38207	0.7
69.38612	2.1
71.01253	4.3
73.02831	0.7
78.95745	0.7
80.27737	0.4
85.02822	1.0
85.06471	1.2
89.02320	3.5
93.03349	0.9
96.95901	4.8
96.96866	0.5
101.02309	2.7
101.05932	1.1
104.34938	0.5
111.04375	0.7
112.18312	0.5
113.02299	1.2
117.03340	1.9
119.03464	1.7
119.04917	61.3
120.05294	2.8
125.02370	0.7
129.05463	2.1
131.07025	5.5
133.02850	3.5
133.06494	0.8
135.04440	1.2
145.02856	5.9
147.06561	3.4
161.02351	12.6
161.06006	1.9
163.03920	100.0
164.04272	5.7
177.05502	1.0
179.03452	0.7
205.04994	2.2
209.11740	0.6
235.05963	1.1
265.07138	1.6
291.10889	1.7
291.15314	0.5
293.12466	10.6
294.12790	0.9
309.11908	21.1
310.12149	1.0
356.46753	0.5
455.10153	0.8
455.15552	12.5
456.15771	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	455.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73758	1.7
56.78244	1.4
59.01254	53.2
69.03335	1.8
69.88610	4.3
69.89020	3.3
71.01253	30.6
72.99195	3.4
73.02811	4.7
75.00719	1.6
78.95785	10.4
81.03322	2.1
85.02825	4.9
87.12622	1.5
89.02322	52.3
96.95901	2.6
96.96828	8.4
97.02825	3.2
98.83189	1.7
101.02342	14.1
101.05964	100.0
102.06252	2.8
113.02351	5.4
115.87870	1.6
119.03371	3.3
119.04916	5.3
123.49189	1.4
125.02328	18.7
127.04003	1.4
131.03397	18.0
143.03354	2.9
149.04483	19.0
163.03868	4.0
165.03891	1.7
191.05539	10.0
293.08755	20.1
395.15424	6.2
455.10028	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	455.3535
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.84531	0.6
71.53794	0.6
72.55730	0.5
81.52634	0.5
100.08195	0.7
100.13876	0.6
114.55977	0.7
204.39166	0.6
289.19208	0.6
341.06100	0.6
369.31512	0.6
455.35349	100.0
456.35690	21.0
481.52725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.0
64.44482	0.3
69.39196	1.8
71.01243	1.1
78.95752	0.3
79.95609	18.8
80.96460	0.4
81.95175	0.4
85.02801	0.4
89.02358	0.7
93.93155	0.3
95.95111	6.6
96.51035	0.3
96.95891	100.0
97.95831	0.6
98.19826	0.6
98.95469	3.5
98.96284	0.5
101.02320	0.7
109.02811	0.9
110.97470	2.1
113.02314	0.4
119.03381	0.7
119.04916	0.4
120.99561	0.4
121.02845	0.5
122.03673	0.7
123.67170	0.3
125.02328	1.0
136.99098	1.7
136.99973	0.3
137.02344	9.6
138.03149	1.4
141.95740	0.5
145.02853	0.3
147.04439	0.4
151.03900	1.2
161.05966	0.5
163.03900	1.0
164.04521	0.5
165.05476	1.1
167.00099	8.8
168.00520	0.7
179.07040	0.5
181.04994	3.0
182.05585	0.3
185.74792	0.3
187.71011	0.3
191.05499	0.9
191.07063	0.5
195.06551	1.3
208.11253	0.3
223.09837	0.5
259.02847	0.4
286.12033	0.4
287.05911	0.4
295.06125	0.4
295.11194	0.4
301.10959	0.3
301.14435	0.6
303.05466	1.4
304.05942	0.3
315.12204	0.4
331.11856	0.8
344.12595	0.3
345.13358	0.5
347.14954	1.0
361.09634	0.7
362.13745	6.7
363.14191	0.9
377.16064	4.6
378.16556	0.7
385.00089	0.3
407.08130	0.5
425.09097	1.7
426.09949	1.4
427.10504	2.6
428.11505	0.3
429.12201	0.7
439.10712	1.6
442.09225	0.4
457.11716	48.1
458.11984	6.8
458.18451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
61.98692	1.5
64.63617	0.4
70.52266	0.4
70.62694	0.4
70.95943	0.4
71.01256	1.2
79.95603	8.4
80.96397	0.9
83.01283	0.4
95.95102	8.6
96.95891	100.0
97.45152	0.4
98.19785	1.1
101.02335	0.7
110.97458	2.9
113.02349	0.5
119.04979	0.5
122.97448	0.5
123.04435	0.4
137.02306	0.4
138.31396	0.4
138.96997	0.8
141.95682	0.4
151.03987	1.0
156.63522	0.5
159.00851	0.4
161.02364	0.5
165.05499	0.6
166.06250	1.3
179.07057	0.7
210.80533	0.5
231.03207	2.3
235.39545	0.4
245.01270	1.9
246.01848	0.5
259.02771	3.7
260.03564	15.4
261.04175	1.5
273.04321	3.0
274.04633	0.5
275.02081	0.7
277.57956	0.4
287.05850	0.5
444.19055	0.5
457.11719	55.6
458.11969	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	457.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37351	0.2
55.76933	0.2
59.01250	0.8
61.98697	0.4
71.01242	0.4
71.34107	0.3
72.99232	0.1
73.02857	0.2
75.00735	0.3
76.94688	0.2
79.95611	8.0
80.96400	0.7
93.03348	0.2
95.95110	9.0
96.95892	100.0
97.95816	0.5
101.02325	0.2
110.97465	4.6
113.02297	0.2
118.29152	0.2
119.04916	0.4
122.97440	0.3
125.33958	0.2
127.61780	0.2
133.02859	0.2
135.04414	0.4
137.02406	0.4
138.96977	0.8
141.95711	0.6
145.02859	0.4
149.02370	1.0
150.03122	0.5
151.03894	0.5
163.03893	0.3
164.04735	0.3
165.05492	0.6
166.06177	0.3
173.04579	0.2
179.07008	0.9
191.05513	0.4
214.17474	0.2
228.08093	0.2
231.03293	2.3
232.03535	0.2
243.03250	0.2
245.01222	2.1
246.01971	0.4
259.02795	4.0
260.03583	11.6
261.04126	1.1
273.04410	2.9
274.04678	0.3
287.06006	0.6
308.75381	0.2
311.09866	0.3
314.11636	0.3
321.39926	0.2
329.13913	1.1
357.31622	0.2
383.57199	0.2
389.39938	0.2
408.56345	0.2
436.23984	0.2
457.11746	46.3
458.12067	6.8
458.33130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.4
61.98708	1.8
69.03329	1.0
71.01266	5.9
71.54126	0.9
72.99203	1.1
73.02828	1.7
83.01301	0.7
85.02832	0.9
89.02318	8.4
93.03386	0.6
96.95879	2.9
96.96433	0.6
99.00768	2.7
101.02340	2.5
113.02353	1.6
117.03353	11.5
119.04926	100.0
119.92091	0.6
120.05267	5.2
125.02383	2.2
131.03419	2.1
145.02870	53.6
146.03229	2.6
149.04474	2.3
161.06035	2.3
163.03932	79.6
164.04239	4.8
187.03909	3.6
187.59258	0.7
191.05603	3.2
205.05070	2.6
233.06728	0.8
235.06075	0.8
293.08936	0.8
325.09509	1.1
395.01373	0.7
397.11572	1.0
457.13577	59.0
458.14044	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13017	0.5
57.06456	0.5
59.01257	8.5
61.98707	1.3
71.01271	1.0
71.54011	0.7
75.00755	1.9
89.02326	1.0
96.95911	1.2
121.02856	100.0
122.03175	3.6
152.41003	0.5
163.28058	0.7
172.75250	0.5
180.05821	1.1
181.06525	5.7
201.31421	0.5
209.04634	0.7
225.05527	7.9
226.05959	0.9
313.07217	19.3
314.07452	2.6
320.50098	0.6
357.06204	4.4
357.74625	0.6
401.08792	65.3
402.09149	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	10.4
61.98702	1.2
65.84068	0.9
68.94502	1.0
69.33656	7.7
71.01257	10.2
72.50211	1.0
72.99192	2.0
73.02823	2.7
85.02845	2.0
89.02325	9.7
92.85806	0.9
93.03339	2.2
99.00771	6.4
99.95892	1.1
101.02346	6.0
103.61556	0.9
113.02328	1.1
117.03346	23.2
118.03697	1.9
119.03418	2.0
119.04918	22.8
120.05261	2.0
121.02895	2.3
129.81950	0.9
131.03413	1.3
133.06483	2.6
135.04446	1.3
143.45096	1.1
145.02864	100.0
146.03191	3.5
147.04431	9.5
150.03207	1.0
151.06058	1.6
161.05969	6.6
162.06300	1.4
163.03925	33.3
164.04265	2.7
165.05495	3.8
177.05479	4.8
191.05540	5.2
205.05008	9.5
229.57433	1.0
235.06096	4.3
265.07202	9.1
278.44308	1.0
307.08337	1.1
325.09180	1.4
459.15079	49.3
460.15271	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03328	0.4
58.00473	0.6
59.01256	100.0
60.01595	1.2
69.03341	0.3
69.82131	0.3
69.82544	0.2
71.01259	13.4
71.04915	0.1
72.01595	0.2
72.99191	0.8
73.02827	6.0
73.83099	0.1
75.00739	0.2
81.06991	0.2
81.47249	0.1
83.01265	2.1
83.01715	0.2
83.04901	0.1
85.02832	3.9
86.03213	0.1
87.00748	0.7
87.04395	0.8
89.02326	7.8
95.01269	0.8
97.02856	0.4
99.00755	0.9
99.01236	0.1
99.04430	0.1
101.02332	10.6
101.05971	1.4
102.02665	0.3
111.00786	0.2
112.56532	0.1
113.02343	5.9
114.02728	0.2
119.03398	3.3
125.02354	0.4
131.03406	0.7
137.09650	0.4
141.09178	0.2
143.03424	1.2
149.04466	0.5
159.02945	0.4
159.10194	0.1
161.04486	3.2
162.04779	0.1
165.09227	0.1
169.12257	0.1
178.04771	0.2
179.05531	1.8
180.05943	0.1
198.90096	0.1
212.34070	0.1
227.03462	0.1
237.15010	0.3
253.18056	0.2
255.19672	2.7
256.19904	0.3
279.19696	0.3
297.20834	0.6
298.20831	0.1
321.20789	0.3
399.23911	2.7
399.28867	0.2
400.24460	0.4
417.24994	7.0
418.25323	1.1
459.26160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03318	0.7
58.00492	0.9
59.01257	100.0
60.01593	1.1
62.71582	0.2
69.03343	0.2
69.35741	1.2
71.01261	14.8
71.04929	0.2
72.01612	0.3
72.99185	1.0
73.02827	5.1
75.00748	0.2
81.03362	0.2
82.18202	0.1
83.01263	2.4
85.02829	5.1
85.99987	0.2
86.03191	0.2
86.57727	0.1
87.00761	0.6
87.04402	1.2
89.02323	6.6
95.01280	1.1
97.02853	0.5
99.00777	1.4
100.04076	0.1
101.02331	10.4
101.05969	2.2
111.00765	0.3
112.01579	0.2
113.02344	7.1
114.02668	0.2
119.03402	3.1
124.01611	0.2
125.02361	0.8
129.01898	0.3
131.03423	0.5
143.03450	1.2
148.36859	0.2
149.04472	0.3
149.13333	0.2
159.02951	0.5
161.04469	4.9
162.04951	0.2
179.05533	1.2
195.06764	0.2
206.87645	0.2
249.82784	0.2
255.19664	1.4
279.19809	0.6
297.20877	0.6
351.22174	0.4
381.22800	2.3
382.23468	0.3
399.23901	3.8
400.24332	0.5
417.24936	7.5
418.25366	1.1
430.62985	0.2
479.69672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03312	0.7
58.00470	0.7
59.01253	100.0
60.01591	1.0
61.98713	0.9
71.01254	12.0
71.53796	0.8
72.99193	1.3
73.02831	2.1
83.01272	0.7
85.02826	3.8
87.00754	0.7
89.02318	10.9
95.01324	0.4
96.95901	3.7
99.00774	1.3
101.02333	9.5
113.02336	5.7
119.03394	5.4
125.02314	0.5
131.03423	0.5
143.03436	1.1
149.04459	0.5
161.04465	4.0
177.18263	0.5
179.05588	1.9
195.78351	0.4
237.14958	0.6
399.23819	5.1
417.25089	1.3
433.92856	0.5
459.20325	1.1
459.29779	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2907
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.82048	0.6
69.47948	0.6
70.21104	1.4
70.21460	1.0
75.84401	0.6
94.47175	0.6
107.04915	29.9
108.05252	0.9
142.41840	0.6
151.07219	0.6
163.11203	100.0
164.11540	6.4
213.37547	0.7
283.17050	24.1
284.17569	2.9
295.17047	14.9
296.17432	1.3
409.43515	0.7
459.29074	74.7
460.29419	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	459.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
68.98763	0.5
72.39583	0.5
73.11726	0.5
107.04921	0.5
108.74976	0.5
111.04348	0.6
122.03623	1.0
123.04412	1.5
135.04420	23.2
136.05238	5.5
137.02377	0.7
137.05998	30.7
138.06357	1.4
149.02313	1.1
149.05893	0.6
151.03915	1.2
152.04713	2.2
163.03926	23.5
164.04721	13.7
165.05501	30.3
166.05832	1.4
168.04306	0.6
177.05588	0.9
178.06265	1.5
189.05475	0.6
191.07106	0.7
196.03734	6.1
198.05032	0.6
203.07106	1.0
204.07761	0.5
218.09456	0.9
229.75093	0.8
359.25485	0.7
431.31589	2.9
432.32254	0.7
441.30054	2.7
444.28946	3.5
459.31183	100.0
460.31506	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	459.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
62.06420	0.6
63.91132	0.7
67.96465	0.7
69.83218	2.9
98.93907	0.7
106.48108	0.7
122.03656	0.9
123.04396	1.5
128.41304	0.6
135.04419	25.2
136.05138	3.1
137.05960	4.4
151.03896	2.3
163.03925	31.9
164.04713	16.2
165.05467	4.3
166.05887	0.8
178.06201	1.1
185.49626	0.6
196.03674	5.9
203.07094	1.5
335.45010	0.7
345.27966	0.9
429.30215	0.7
431.31512	3.0
441.30096	1.2
444.29132	1.6
459.31125	100.0
460.31458	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	459.3122
Annotation	Polyporusterone D
Peak:m/z	Relative Intensity
53.18564	0.7
55.71104	0.7
59.01246	2.0
59.31482	0.6
63.31858	0.7
75.48069	0.7
76.81004	0.7
85.18636	0.7
91.90961	0.8
107.04933	1.1
123.04421	3.6
134.03664	0.7
135.04437	42.2
136.05174	2.3
137.05994	6.5
141.37520	0.8
151.03960	7.9
163.03943	94.7
164.04527	7.8
165.05507	9.1
165.09113	0.9
196.03717	3.5
265.25360	5.5
266.25717	1.5
401.31067	1.0
402.31073	0.8
429.30139	100.0
430.30521	18.0
441.30109	11.0
442.30380	1.8
459.30939	16.0
460.31564	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43982	0.3
56.72727	0.3
59.01251	2.0
59.99044	0.3
63.02235	0.4
65.00217	0.5
71.01243	0.5
71.54424	0.4
72.70569	0.3
83.01267	0.7
87.00743	0.3
96.95876	0.4
101.02317	0.4
107.01265	1.4
109.02856	0.3
125.02338	0.9
133.02841	0.4
135.00768	0.4
143.04939	0.5
145.02831	0.4
148.01544	0.5
149.50322	0.3
151.00270	4.2
153.01855	0.6
155.04922	0.8
158.03630	0.4
163.00275	0.7
164.01088	0.4
171.04443	1.6
175.03928	0.6
178.99753	0.9
183.04462	0.6
187.03918	1.3
197.02333	0.3
199.03957	7.2
200.04335	0.5
201.01897	2.3
202.02504	0.4
203.03494	1.8
207.10136	0.4
209.72887	0.4
211.03900	0.4
213.01823	0.4
214.02586	0.7
215.03452	5.7
216.03963	0.5
219.13730	0.4
225.01752	0.6
226.02647	1.0
227.03462	6.0
228.03989	0.3
229.01395	1.0
240.03929	0.3
241.01373	1.3
242.02179	12.5
242.04643	0.6
243.02957	55.6
244.03351	4.3
255.02953	5.2
256.03720	0.6
257.04544	14.5
258.04932	1.6
270.01685	15.1
271.02472	58.9
272.02875	6.2
278.84143	0.3
285.04041	28.0
286.04697	9.6
287.02032	0.6
287.05374	1.0
298.01105	0.5
299.01971	21.9
300.02707	16.2
301.03275	1.7
314.04318	64.4
315.05045	39.7
315.08951	0.7
316.02072	0.7
316.05435	3.5
317.03116	0.8
329.06546	0.4
348.19998	0.3
357.06042	1.6
461.10931	100.0
462.11279	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63482	0.4
59.01226	1.6
59.09851	0.4
65.00233	0.4
69.28130	3.3
71.01260	0.6
73.51294	0.4
107.01233	1.2
125.02270	0.7
142.45428	0.4
148.01521	0.6
151.00296	3.5
151.56433	0.4
157.02878	0.4
163.00264	0.6
167.89854	0.5
171.04375	1.1
175.03889	1.1
178.99757	1.1
183.04411	0.9
185.02341	0.5
187.04015	0.8
199.03931	5.5
201.01881	2.2
203.03352	1.2
215.03462	4.7
216.03822	0.5
225.02080	0.5
225.11320	0.5
226.02718	0.9
227.03430	4.9
228.03819	0.6
229.01355	0.9
241.99831	0.8
242.02164	12.1
243.02956	50.6
244.03273	4.5
255.02968	3.8
257.04523	13.4
258.04822	1.1
270.01691	12.6
271.02466	54.9
272.02896	5.1
285.04041	28.8
286.04736	8.2
287.05344	0.8
296.36182	0.5
299.01965	22.3
300.02695	15.8
301.03232	1.2
314.04318	63.2
315.05048	40.3
316.02341	0.5
316.05533	3.8
329.06461	0.5
357.06183	1.4
359.28659	0.6
410.00281	0.4
461.10925	100.0
462.11264	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	461.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30052	0.4
57.03311	0.4
59.01258	5.0
60.99182	13.9
69.08591	0.4
71.01259	1.7
71.07711	0.5
71.08058	0.7
85.02834	0.7
87.00771	0.7
88.98685	100.0
89.02315	1.1
89.99029	1.2
90.64762	0.5
93.03331	1.4
96.95895	1.0
101.02326	0.6
114.51511	0.4
121.02880	0.5
125.02311	0.6
137.02348	1.6
149.02367	0.4
151.00322	0.6
165.09116	1.0
165.33827	0.4
167.10699	8.6
168.11171	0.5
199.03949	0.7
204.59908	0.4
209.08105	3.9
210.08438	0.6
214.02609	0.4
241.01448	2.5
242.02196	1.0
243.02956	1.6
245.00908	1.2
270.01703	2.3
271.02515	3.3
274.34985	0.4
287.01965	0.6
297.11328	1.5
298.01205	1.0
299.02029	4.9
300.09988	0.5
314.04364	0.8
367.28976	0.4
417.28149	0.5
431.15167	0.7
461.06436	2.7
461.16675	0.5
461.23898	1.4
461.30722	0.6
462.16922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	5.8
57.03328	4.2
59.01252	81.6
69.62726	4.1
69.63127	10.7
71.01252	50.7
72.99158	2.8
73.02819	22.3
74.32829	2.2
75.00737	2.1
75.49940	2.0
83.01243	8.1
85.02828	27.8
87.00757	1.9
89.02317	4.7
89.04679	1.9
93.03354	2.8
95.01251	3.2
98.20538	2.7
99.00733	9.9
101.02328	47.0
107.09854	2.0
113.01740	2.1
113.02349	23.1
123.04425	3.8
125.02296	5.4
131.03391	24.8
135.04474	2.2
143.03467	2.4
159.02919	3.9
161.04460	29.6
167.03369	6.6
191.05540	6.3
256.06049	2.4
269.10294	100.0
270.10532	8.5
401.14505	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42965	3.2
57.03325	3.3
59.01256	100.0
60.09853	3.1
65.93307	3.2
69.03320	5.5
70.56288	8.4
71.01254	47.3
72.99168	4.3
73.02812	11.8
75.00709	3.3
83.01269	5.2
84.44495	3.3
84.57176	3.1
85.02831	18.2
87.00771	9.3
87.04361	4.2
88.50130	3.6
89.02321	31.1
99.00771	9.9
101.02317	40.5
107.04895	3.7
111.04365	4.7
113.02338	16.7
119.03413	10.5
124.04965	3.3
125.05988	16.8
129.05452	7.7
131.03380	6.1
137.09659	4.7
138.06772	6.5
142.08630	3.7
149.05898	4.6
151.07533	7.2
153.09111	13.4
161.02354	3.9
161.04466	4.1
165.09134	32.8
177.09123	19.1
177.12738	4.0
205.12274	7.3
219.10254	9.4
220.11041	21.7
221.11693	14.1
223.13431	3.8
247.08159	4.9
259.61169	3.4
263.12796	6.4
281.13852	11.1
341.02988	12.2
383.17059	5.4
401.13660	6.6
401.18607	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74628	1.3
52.32204	1.3
53.94205	1.3
57.03316	2.5
58.00462	3.2
59.01253	100.0
60.01581	2.8
61.98693	6.1
69.03313	6.1
71.01255	70.9
71.21301	1.4
72.01572	2.1
72.99187	4.5
73.02813	20.4
75.00739	2.7
76.19913	1.6
81.03348	3.4
83.01260	4.7
85.02834	11.2
87.00738	4.0
88.98704	1.7
89.02319	88.4
95.01283	2.1
95.04900	1.5
96.95844	2.7
97.02836	8.9
99.00755	21.4
101.02324	34.0
103.03910	2.8
106.85513	1.5
111.00779	1.9
113.02351	9.8
115.03894	4.6
119.03394	4.8
125.02347	33.8
126.02643	1.9
131.03389	14.2
143.03380	3.3
149.04468	25.9
152.37827	1.2
161.04437	6.6
163.06024	6.2
163.11183	2.0
167.10677	17.5
168.11058	1.6
191.05550	9.8
191.10727	2.0
205.07076	5.1
207.10162	2.1
209.11707	2.3
221.11763	2.1
233.06631	17.5
239.12811	11.7
241.01326	5.3
245.00803	4.6
270.01706	6.5
271.02460	5.1
272.02872	1.5
284.03244	3.6
293.08813	22.0
294.09015	2.0
298.01154	1.8
299.01932	10.3
299.05515	3.9
300.02460	1.7
326.70297	1.7
329.19714	4.6
417.29532	1.5
440.00735	1.6
461.06656	7.7
461.19098	1.7
462.16586	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	461.3278
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
51.22336	0.4
59.01253	0.6
60.08118	0.4
65.17575	0.5
68.62031	0.5
71.54315	0.5
113.53057	0.5
113.86081	0.5
122.03638	0.8
123.04383	0.8
127.90704	0.4
131.08533	0.7
134.03644	0.5
135.04428	29.7
136.05252	4.7
137.06000	16.7
138.06320	0.5
149.02330	0.9
163.03938	38.1
164.04724	14.0
165.05505	20.5
166.05862	0.7
175.07462	0.5
178.06265	1.4
189.05388	0.6
196.03709	5.4
203.07083	0.9
218.09444	0.8
285.04166	0.6
299.01993	0.6
333.27209	0.5
393.86124	0.4
417.28024	19.3
418.28281	3.8
433.33112	2.8
443.31659	1.3
446.30347	2.1
461.27075	9.2
461.32751	100.0
462.27469	1.8
462.33136	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	461.3279
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
55.01785	0.5
57.03325	0.9
59.01241	0.5
70.74432	0.9
93.60448	0.3
107.04938	0.4
111.05062	0.4
122.03638	1.6
123.04413	1.2
134.03638	0.5
135.04434	34.3
136.05276	4.3
137.02382	0.5
137.06006	15.2
138.06320	0.5
139.63622	0.4
149.02357	0.9
149.05959	0.4
150.03174	0.5
152.04695	0.4
152.94345	0.4
158.59982	0.4
163.03937	44.7
164.04727	18.2
165.05505	19.7
166.05823	0.9
177.05449	0.6
178.06261	1.3
191.06874	0.5
196.03737	5.7
200.08437	0.6
203.07106	1.9
204.07823	0.8
206.70224	0.4
218.09412	1.4
238.96547	0.4
403.28540	10.4
404.28860	1.3
428.29333	1.2
431.31784	4.7
432.31934	0.9
433.33371	3.4
443.31732	18.7
444.32132	3.0
446.30017	2.2
461.32770	100.0
462.33133	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	461.3279
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
54.02444	0.2
59.01254	0.6
64.83508	0.2
68.44849	0.2
70.56843	0.2
70.74098	0.3
70.74428	0.4
101.05983	0.7
106.14541	0.2
107.04858	0.3
111.04436	0.5
121.02866	0.5
122.03646	1.3
123.04400	0.9
135.04430	22.0
136.05255	4.7
137.02422	0.3
137.05998	10.2
138.03136	0.2
138.06354	0.5
149.02322	0.8
149.05966	0.6
150.03146	0.6
151.03911	0.3
152.04694	0.8
163.03938	25.6
163.07578	0.7
164.04716	16.8
165.05501	10.6
166.05896	0.8
168.04178	0.4
175.07559	0.5
176.08292	0.2
177.05524	0.8
178.06299	1.0
185.05980	0.3
186.06789	0.3
189.05504	0.5
191.07072	0.4
196.03729	5.8
197.04175	0.3
199.07440	0.3
200.08424	0.3
203.07100	2.0
204.07774	0.6
205.08681	0.3
217.08754	0.4
218.09508	1.5
228.11540	0.3
300.26007	0.3
372.26389	0.2
428.29294	1.1
433.33203	4.7
434.33594	0.9
443.31784	1.7
444.32510	0.3
446.30371	2.7
447.30936	0.3
461.32748	100.0
462.33136	18.0
462.37967	0.4
462.39868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68082	0.9
59.01253	100.0
65.17857	0.9
66.65943	0.9
70.71086	1.0
91.03868	1.3
91.41758	1.0
97.01587	1.1
135.04413	1.6
137.05974	3.3
163.03952	2.1
163.07565	1.4
164.04723	1.4
165.05522	1.9
167.25670	1.0
175.15303	1.0
201.68456	1.0
223.40408	1.0
299.01929	1.2
327.29114	1.9
461.27121	3.2
461.32874	4.5
487.70502	1.0
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
55.09447	0.5
56.00660	0.4
57.94500	0.5
61.57615	0.5
62.96465	0.4
65.00192	0.5
71.30933	0.7
80.16689	0.5
83.01270	0.5
89.83321	0.5
107.01263	1.5
108.02087	0.6
109.02833	1.0
121.02839	1.1
148.01578	0.6
149.75540	0.5
151.00284	9.0
152.00662	0.5
163.00336	2.3
178.99800	5.5
199.03831	0.5
211.03995	0.6
223.90225	0.5
226.02654	1.0
227.03537	1.5
229.04886	0.6
243.02960	7.2
244.03452	0.5
244.52977	0.5
245.04427	0.9
254.02167	1.6
255.02946	16.7
256.03403	1.5
271.02472	38.3
272.02960	5.6
273.03857	1.1
283.02414	1.0
290.13696	0.7
299.01999	0.6
300.02737	100.0
301.03436	43.9
302.03915	4.3
316.02106	0.9
463.08823	45.6
464.09119	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	463.0883
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
50.35590	0.9
52.69543	0.7
58.64613	1.0
59.01258	6.6
61.98691	0.9
63.02285	0.9
64.11947	0.9
65.00199	2.3
69.77927	1.5
69.78221	4.7
71.01240	3.1
72.99147	1.3
73.02816	1.2
75.84135	0.9
83.01283	2.8
85.02818	1.4
89.02320	1.5
98.20581	0.9
101.02314	2.1
107.01287	5.2
109.99973	1.6
111.00696	1.4
113.02370	0.9
115.92023	0.9
120.70538	1.0
121.02845	1.1
122.93283	1.1
135.00754	1.2
135.04416	0.9
137.02339	1.6
139.00313	1.4
145.79289	0.8
149.02353	4.4
150.03145	1.0
151.00285	12.0
155.04955	1.8
159.04436	1.1
161.02353	1.4
163.00255	1.0
164.01068	5.9
165.98965	1.3
166.99742	2.1
169.01326	1.0
170.06442	0.9
171.04430	1.0
177.01891	1.5
178.99699	2.4
183.04469	1.6
185.02423	2.3
187.03888	1.2
191.05463	1.4
194.60338	1.0
198.03117	1.1
199.03961	4.0
201.01871	12.5
203.03455	7.9
211.03954	1.5
215.03418	2.3
216.04050	1.0
216.96007	1.0
227.03455	8.6
228.43536	1.1
229.01387	1.2
231.03058	5.3
243.02873	5.3
255.03030	4.7
271.02481	98.5
272.03018	12.7
287.01990	3.0
288.02249	1.2
299.01965	100.0
300.02701	77.8
301.03497	51.3
301.06363	0.6
302.03802	5.2
316.02197	12.9
317.03152	7.6
331.17740	1.3
413.53662	1.0
463.08798	77.5
463.22052	3.5
464.09210	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	463.0881
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.95564	0.4
54.32784	0.4
63.02285	0.6
65.00184	1.3
70.85558	1.0
83.01247	0.6
107.01270	3.1
108.02053	1.6
109.02834	1.3
121.02835	2.1
126.54037	0.4
135.00751	0.9
148.01520	1.4
149.02304	0.6
151.00272	12.6
163.00294	2.6
169.01338	0.6
178.99782	6.3
185.06248	0.5
187.03943	0.8
190.99635	0.5
192.00670	0.5
199.03960	0.9
201.05505	0.5
211.03976	1.3
213.01990	0.7
226.02615	2.1
227.03438	3.4
228.03609	0.6
229.05098	0.6
243.02940	12.5
244.03371	0.9
245.04520	1.2
254.02260	3.3
255.02963	29.2
256.03421	2.2
270.01938	0.6
271.02475	69.1
272.02902	8.2
273.04016	1.0
283.02368	1.2
299.02081	1.1
300.02731	100.0
301.03458	37.6
301.08505	0.6
302.03827	3.1
316.02206	1.8
318.21249	0.5
463.08823	41.0
464.09116	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	463.0882
Annotation	LMPK12113194
Peak:m/z	Relative Intensity
55.48788	1.6
63.02281	1.7
65.00188	5.0
71.11892	2.4
73.16473	1.5
75.14703	1.6
83.01231	1.5
95.01257	4.9
107.01260	5.5
109.02856	16.0
110.00011	8.8
111.00735	6.9
123.00777	7.9
124.01552	5.5
125.02340	4.1
125.99461	1.8
135.00748	2.8
137.02335	3.4
137.99504	3.6
139.00261	12.5
146.03505	1.7
149.02362	3.0
151.00267	21.7
152.01045	9.4
153.01814	4.7
159.04407	2.2
161.02361	2.9
163.00299	5.7
164.01016	6.2
165.98991	11.9
166.00148	1.7
166.99762	7.4
171.04478	3.4
174.03128	2.2
175.03882	2.3
178.99783	18.6
181.01292	1.9
183.04497	3.4
187.03934	4.9
188.04681	2.0
198.03183	2.9
199.03954	8.4
200.04489	1.8
201.01833	3.6
203.03476	7.9
206.99347	2.3
208.00227	2.0
211.03944	2.9
214.02705	3.3
215.03380	6.8
216.04095	3.6
217.04988	2.7
226.02621	2.1
227.03473	11.7
229.01355	3.1
231.03008	8.1
232.03609	2.8
242.02150	5.7
243.02957	14.6
244.03526	4.0
245.04471	2.8
255.03011	10.9
259.02457	6.1
260.02997	2.2
270.01624	6.2
271.02478	76.1
272.02972	15.0
273.04150	12.8
287.01910	23.4
288.02689	14.9
289.03345	3.0
298.01245	2.0
299.01950	40.8
300.02386	10.5
301.03488	3.2
315.01740	1.6
316.02219	100.0
317.02972	91.2
318.03287	7.0
355.69437	1.8
366.14368	1.8
432.01633	2.0
463.08801	77.5
464.08917	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90988	0.6
51.33067	0.6
54.34408	0.6
58.31106	0.6
59.01254	1.0
65.00193	1.5
66.25359	0.7
69.39989	1.9
69.40414	3.3
71.01289	0.7
83.01242	0.8
93.03350	0.9
95.01266	1.6
98.20536	1.4
107.01260	1.3
109.99976	1.0
123.00754	1.3
125.02380	0.7
136.98686	1.1
139.00255	1.2
151.00284	7.0
151.07643	0.9
152.01062	1.8
163.00285	2.1
165.99031	1.5
166.99768	2.3
167.04884	0.9
173.85167	0.6
178.99768	4.4
180.94580	0.6
183.04466	1.3
185.02437	0.8
187.03876	1.2
199.03976	2.3
201.05467	1.3
211.03891	1.5
215.03348	1.1
216.04376	0.9
226.02690	1.7
227.03455	7.6
229.04861	1.4
239.03452	1.1
243.02950	11.4
244.03546	1.3
245.04436	1.1
254.02127	2.1
255.02975	27.9
256.03342	3.4
257.04471	3.9
263.12872	1.3
271.02469	39.0
272.03140	10.8
273.04031	1.1
283.02460	7.7
284.03183	1.4
287.01874	0.8
299.01837	1.9
300.02734	65.6
301.03467	36.0
301.06464	0.5
302.03937	3.0
316.02173	4.2
317.03214	0.9
343.06879	1.3
370.12668	0.7
463.08826	100.0
464.09125	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	463.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88049	0.3
59.01207	0.5
62.96263	1.1
71.14171	0.3
71.54517	0.3
77.96650	0.3
78.95766	8.1
94.93471	0.4
95.13538	0.3
98.56853	0.3
107.01269	0.4
137.05989	1.0
146.23491	0.4
148.01512	0.4
149.00003	32.7
150.00311	1.0
151.00316	1.7
162.67734	0.4
163.00209	0.6
165.05463	1.2
178.99796	1.0
194.98796	100.0
195.99124	3.2
227.03506	0.7
243.03065	2.7
254.02156	0.6
255.02950	5.0
271.02496	12.2
271.38266	0.4
272.02887	1.3
300.02737	18.1
301.03464	8.9
302.04034	0.6
316.02155	0.6
383.66965	0.4
418.28976	0.4
418.34250	1.5
419.26294	0.5
419.34482	0.6
463.11215	56.1
463.25247	1.2
463.34576	0.8
464.11502	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	463.1248
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
58.54153	0.2
59.01236	1.0
65.00198	6.2
69.35989	1.5
71.01257	0.5
73.30278	0.2
75.95938	0.2
89.00221	1.7
89.02329	0.6
91.01776	1.2
97.02833	4.6
98.03179	0.2
101.02285	0.2
107.04889	0.5
108.02077	0.4
109.02839	3.4
121.02853	2.4
133.02859	0.3
134.03647	1.6
135.04414	100.0
136.04762	4.4
137.02342	0.4
145.58078	0.2
148.01535	0.3
149.99467	1.9
151.00291	1.4
161.02341	1.6
162.69342	0.2
165.01843	47.3
166.02219	1.9
178.99655	0.4
179.03394	0.2
183.02908	0.9
191.75049	0.2
209.11722	0.6
210.01701	0.2
227.03342	0.3
243.03018	1.4
247.52423	0.2
255.03003	2.2
271.02481	6.1
272.02881	0.4
283.05994	0.5
285.03827	0.3
297.09772	0.8
299.05618	0.5
300.02750	9.2
301.03668	4.4
301.07150	68.9
302.04108	0.5
302.07501	6.0
314.72519	0.2
316.02219	0.3
463.08075	3.1
463.12607	5.3
464.12610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.93166	0.6
53.94245	0.6
54.87983	0.7
55.01751	2.4
56.55359	0.7
57.03325	1.5
58.00464	3.4
59.01251	73.0
59.85111	0.7
60.01580	1.3
61.98704	1.4
68.54625	0.7
69.03333	1.8
69.18419	4.6
69.18840	1.8
69.65914	0.6
71.01255	73.7
72.01584	0.8
72.99194	4.6
73.01042	1.0
73.02818	17.5
75.00742	2.3
81.03320	0.8
81.46653	0.7
83.01266	4.9
85.02826	13.4
87.00769	4.3
89.02317	100.0
90.02671	1.6
93.03323	1.3
93.69995	0.7
95.01260	3.0
96.95908	1.7
97.02825	2.2
99.00761	24.9
99.04418	0.8
101.02325	54.1
102.02689	0.9
109.02853	1.1
113.02336	20.2
115.03896	2.1
118.12328	0.6
119.03392	17.4
120.03700	0.7
125.02320	7.1
131.02473	1.3
131.03403	20.8
139.17281	0.7
143.03403	3.6
147.35587	0.6
149.04460	65.7
150.04784	2.2
151.00264	2.9
161.04466	8.7
178.99722	2.1
179.05519	6.6
191.05547	19.0
193.22737	0.7
213.05798	1.1
221.06592	2.8
233.06650	2.4
243.02948	3.2
251.07692	4.2
255.02959	6.5
271.02460	13.6
272.02856	1.0
287.01944	1.5
293.08649	1.4
299.01941	0.8
300.02740	23.3
301.03418	14.8
310.04596	1.1
316.02170	3.2
317.02911	1.2
325.07013	1.5
331.17554	4.4
332.17868	0.9
343.08163	1.9
361.41064	0.7
373.09232	0.9
403.19501	1.3
463.08713	18.7
463.21793	44.8
464.09085	3.6
464.22314	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	463.2854
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
59.01233	0.6
71.54525	0.6
99.74442	0.6
111.91424	0.5
137.05997	7.8
151.00290	1.8
151.54710	0.7
165.05486	7.3
178.99797	0.8
243.02951	1.3
251.14336	1.5
255.02921	4.5
265.19601	4.3
271.02502	7.7
272.02878	1.3
300.02731	13.9
301.03445	8.4
309.18637	4.3
316.02158	0.6
359.27502	1.7
364.41409	0.8
375.30560	7.0
376.31195	0.7
419.29568	9.8
420.30093	1.8
448.32626	0.6
463.09006	9.8
463.28546	100.0
463.34229	8.3
464.09323	1.9
464.28870	20.5
464.34647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.286
Annotation	Perovskone B
Peak:m/z	Relative Intensity
50.44722	0.2
53.99865	0.2
56.67025	0.1
59.01261	0.3
63.38033	0.2
65.76083	0.2
70.74658	0.4
71.04884	0.3
83.04903	0.6
85.02843	0.2
109.88468	0.2
110.17302	0.2
111.26139	0.2
112.29470	0.2
124.57827	0.2
125.66337	0.2
137.02377	0.2
137.05977	0.5
151.00319	0.4
154.23557	0.2
164.04733	0.2
165.01869	0.2
165.05458	0.5
204.90439	0.2
207.49631	0.2
230.63518	0.2
243.03000	0.5
255.03003	0.7
271.02576	1.4
272.02957	0.3
300.02750	2.6
301.03464	0.7
333.22180	0.2
349.25479	1.0
363.23383	0.3
368.04419	0.2
405.24347	0.3
415.26434	0.7
417.27997	2.8
418.28418	0.5
419.29419	0.4
445.27509	1.8
446.27817	0.4
463.28589	100.0
464.28906	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	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37806	1.3
59.01250	9.7
61.08612	1.1
61.98703	100.0
65.00188	1.7
69.81508	4.1
69.81921	2.1
71.01272	4.6
73.92678	1.3
75.00754	2.2
77.10149	1.2
85.02811	7.0
87.00746	1.9
89.02324	3.5
93.03318	2.6
101.02316	1.7
107.01247	1.8
109.02873	2.1
125.02312	3.4
127.03884	1.4
130.39848	1.3
135.04410	3.1
150.03058	1.7
151.00278	7.6
151.03960	2.1
179.03401	1.3
191.05544	67.0
206.12604	1.2
211.51968	1.2
238.63431	1.2
273.07684	4.5
285.04074	3.7
376.11414	1.7
430.39795	1.4
434.94812	1.3
465.13959	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	465.1038
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.70409	0.6
57.03331	4.0
59.01253	100.0
60.01606	0.7
65.00207	1.2
70.07661	0.6
71.01256	8.4
71.41816	1.1
72.24413	0.7
72.99203	0.7
73.02818	0.7
81.03340	0.6
83.01252	3.3
85.02819	3.2
87.00760	0.8
89.02320	11.9
93.03358	0.9
96.95889	1.5
101.02332	5.1
106.74070	0.6
107.01298	2.1
109.02832	1.0
111.04417	0.6
113.02328	3.3
119.03411	5.1
121.02865	0.8
123.04448	2.1
125.02341	34.8
126.02707	1.2
127.03921	0.7
133.02924	1.5
137.02370	1.1
139.03935	1.5
149.02350	3.8
149.09654	1.2
151.00267	11.3
151.03928	1.9
153.01842	8.8
161.04485	1.4
163.00311	2.1
167.03430	0.8
167.10750	2.7
169.01425	0.7
173.04497	1.0
175.03909	6.0
176.01064	1.5
177.01849	7.6
178.99796	7.0
179.05594	2.8
180.00160	0.9
181.01361	1.1
185.06113	0.7
189.05515	1.5
191.05548	20.4
192.99745	0.6
193.01451	0.7
199.04012	2.7
201.01970	0.6
213.05580	1.2
215.07071	0.7
217.05016	3.7
231.06874	0.6
241.04938	3.4
243.02975	1.0
257.04559	1.2
259.06137	1.4
275.05545	3.2
284.03442	0.8
285.04047	35.5
286.04251	3.7
303.05081	20.2
304.05554	1.9
315.07446	0.7
341.05182	1.3
365.22223	0.6
405.21436	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	465.1039
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
57.03323	11.9
59.01252	6.7
63.02262	0.8
65.00187	2.6
67.01765	0.6
69.33476	3.6
69.87572	0.5
71.01251	3.6
73.02818	0.6
75.00742	0.5
78.87992	0.4
81.03334	0.7
83.01260	4.7
85.02822	0.9
87.00756	0.5
89.02308	3.9
93.03341	0.6
95.01259	3.9
96.95905	1.8
99.00777	1.0
101.02326	2.5
107.01272	3.3
108.02048	0.8
109.02853	3.8
111.00750	1.7
113.02335	1.3
119.03367	1.2
121.02861	1.6
122.03588	0.6
123.00800	2.4
123.04409	2.8
124.01565	7.4
125.02341	100.0
126.02668	3.6
131.03418	0.8
133.02853	1.5
135.04404	0.8
137.02344	3.5
139.00314	1.1
139.03914	1.5
147.04417	1.2
149.02351	3.6
149.04442	1.5
150.03152	3.2
151.00282	9.8
151.03911	5.8
152.01071	15.1
152.04123	0.5
153.01863	6.6
161.02327	1.0
161.04483	0.4
161.05997	0.7
163.00340	1.3
163.03912	0.7
165.01851	0.7
165.05513	0.8
166.02625	0.9
169.01334	0.9
171.04533	0.7
172.05215	1.2
173.02411	0.7
173.04602	0.5
173.06029	1.7
174.03192	2.1
175.03911	7.2
176.01070	1.7
177.01869	5.7
178.99789	8.6
181.01453	0.9
185.06009	0.7
188.04729	1.8
189.01883	0.6
189.05522	5.0
191.03506	1.6
191.05568	2.8
191.07054	0.8
193.05005	2.8
195.06587	2.0
199.03958	1.9
201.01955	0.6
203.07118	1.2
213.05530	1.2
215.03412	0.7
215.07184	1.3
216.04173	0.9
217.01538	0.9
217.05017	9.3
218.05460	0.8
219.02896	0.9
230.05635	0.6
231.06638	2.4
235.06148	1.0
237.48389	0.6
241.05061	2.7
242.05423	0.6
257.04523	1.4
258.05350	1.2
259.06094	13.8
260.06537	0.9
267.02991	0.7
274.04828	2.1
275.05615	10.0
276.05963	0.8
284.03290	1.5
285.04050	28.8
286.04407	2.2
303.05093	11.7
304.05359	1.3
379.10141	0.6
405.21146	0.6
421.11612	2.4
423.07013	0.6
424.79172	0.5
437.10892	21.8
438.11340	1.5
447.09366	9.6
448.09811	1.0
464.22238	0.6
465.10376	81.7
466.10675	11.4
466.15723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74461	1.4
59.01255	12.9
61.98707	3.0
62.79896	1.8
65.00196	5.9
69.20261	14.5
71.01243	5.6
75.00761	4.0
80.14391	1.5
81.24094	1.5
83.01258	2.8
85.02834	10.1
86.21416	1.5
87.00764	3.2
89.02330	3.0
93.03329	4.6
98.19840	4.0
99.50876	1.5
101.02299	2.2
102.20959	1.5
104.16029	1.7
107.01276	9.6
116.93878	1.6
123.04366	2.2
125.02326	5.4
133.02835	3.0
135.04424	1.9
141.01851	2.2
150.03099	5.1
151.00267	39.0
151.03934	4.0
169.01326	1.7
173.04500	1.9
173.60985	2.0
177.01826	2.1
178.99846	2.2
185.05965	1.8
191.05547	100.0
192.05901	3.3
194.86963	1.8
201.05449	1.6
213.79182	1.6
264.41415	1.7
267.03107	1.7
273.07611	6.4
285.04044	23.4
303.05066	1.9
405.21762	1.8
417.09381	1.8
465.09476	3.4
465.14835	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.2
58.00475	0.4
59.01253	100.0
60.01588	1.1
70.45276	0.5
70.45620	0.5
71.01253	9.6
72.99198	0.7
73.02827	0.6
75.00759	0.4
83.01281	0.7
85.02821	3.0
87.00780	0.9
89.02322	12.9
93.03371	0.5
95.01278	0.5
96.95900	0.5
101.02327	6.2
105.79568	0.3
107.01307	0.7
109.02863	0.7
113.02326	3.9
119.03398	5.5
123.04451	0.4
125.02339	9.4
125.03242	0.5
126.02737	0.3
127.03976	0.4
131.03416	0.6
137.02321	0.3
143.03413	0.9
143.89975	0.3
149.02383	0.9
149.04504	0.4
149.09621	4.3
151.00279	3.2
151.03893	0.3
152.01077	0.3
153.01834	2.1
153.09129	1.5
155.37729	0.3
161.04515	1.9
163.00339	0.8
165.01808	0.3
167.10678	6.8
167.12077	0.4
168.11069	0.4
173.04530	0.4
174.03085	0.4
175.03970	1.5
176.01210	0.4
177.01851	2.7
178.99780	1.7
179.05530	4.3
183.72668	0.3
189.05470	0.3
191.05542	17.3
192.05928	0.7
199.04004	1.0
201.01863	0.3
209.06403	0.3
211.07623	0.3
213.05710	0.3
215.07089	0.3
217.04961	1.3
225.14948	0.7
237.05486	0.3
241.05231	0.6
243.16075	1.0
257.04584	0.3
259.06323	0.3
273.07693	0.7
275.05719	0.9
285.04056	9.0
285.07135	0.4
286.04498	0.7
291.08926	0.5
303.05154	6.2
304.05493	0.5
341.05157	0.5
374.30182	0.3
405.21262	5.7
406.22089	0.4
465.14352	0.4
465.23846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.1
69.51899	8.6
69.52312	4.1
71.01266	4.1
73.02866	2.5
79.95619	6.6
80.96400	3.6
85.02820	4.0
86.03834	3.1
87.00769	11.3
93.03339	40.1
96.95896	65.0
98.19704	3.9
99.00797	2.3
109.02835	4.0
111.04404	4.6
113.02323	3.1
123.04501	2.5
125.02350	7.0
134.03636	5.5
134.23215	2.4
135.04424	3.5
137.02405	4.1
151.00352	2.6
173.04486	23.2
178.02658	2.2
179.03418	3.6
181.31073	2.4
185.06068	2.8
191.05540	19.5
198.01620	2.3
200.30777	2.0
213.05565	2.3
227.03505	35.2
229.05000	8.1
241.05122	2.5
255.02972	54.4
256.03534	8.1
257.04599	4.2
265.44455	2.3
265.63614	2.3
284.03290	58.9
285.04025	77.6
286.04388	6.7
289.07141	2.4
293.10126	2.9
387.23849	4.3
431.09833	100.0
432.10040	9.3
449.14365	12.8
467.20511	17.3
472.38852	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	467.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.1
59.01255	6.9
62.52662	1.0
69.03320	1.0
71.01254	3.8
71.54427	1.0
73.02814	2.0
76.52496	0.9
76.87585	0.8
81.03353	2.1
83.01282	1.3
83.04902	1.8
85.02834	3.0
87.00764	1.8
89.02323	1.8
89.03845	1.2
93.03339	4.3
94.49703	0.8
95.04907	1.0
96.95879	6.0
101.02350	2.9
108.02074	1.3
109.02846	32.1
110.03197	1.7
111.04414	4.1
113.02315	1.0
117.03397	1.9
118.87801	0.9
119.04927	2.0
121.02842	1.6
121.43826	0.8
123.00786	2.5
123.04412	1.2
124.01543	2.1
125.02344	16.6
133.02838	7.5
134.03647	2.7
137.02377	3.4
138.05510	0.9
139.03914	11.9
145.02867	2.5
147.04483	2.3
149.02434	0.9
151.00304	1.6
152.06982	0.9
153.01923	1.0
159.04463	1.7
161.02359	9.2
162.03127	3.4
163.03926	2.9
163.06032	2.7
165.01793	1.6
166.02602	1.5
167.03435	9.9
173.02350	1.0
173.04520	1.9
173.11801	2.5
174.29782	0.8
177.01868	44.4
178.02242	3.1
179.03401	2.3
187.03917	1.7
188.04616	1.1
189.01875	78.1
190.02512	9.4
191.03471	6.7
191.05582	19.0
203.03441	6.6
216.00580	9.9
217.01390	82.8
218.01781	6.4
219.02939	6.8
220.06860	0.9
220.24298	0.8
228.39671	0.9
231.02960	11.6
233.04482	3.1
243.03046	1.5
255.02773	1.0
256.03430	1.1
257.04199	1.3
271.02405	1.3
272.03098	1.2
273.03174	3.3
274.03418	2.3
275.03561	1.3
287.02008	1.6
287.05756	1.6
295.06253	1.2
297.04080	2.4
299.05597	8.2
301.03036	1.7
302.03320	5.9
303.03760	5.6
304.04050	4.9
305.06683	3.2
313.07266	1.6
327.05185	3.3
328.05661	1.3
335.17059	2.1
339.04874	1.1
357.06186	100.0
358.06415	8.6
449.14304	1.1
449.31619	2.3
466.31042	2.3
467.09885	54.1
467.20529	8.6
467.32291	7.1
468.10172	7.5
484.21057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36685	1.3
59.01250	10.4
61.58590	1.4
65.27190	1.4
67.01736	1.5
70.74404	2.5
70.74718	1.8
70.79487	1.3
71.01247	10.4
73.02826	2.0
79.95641	1.5
85.02821	6.2
87.00764	2.8
89.02319	4.4
93.03335	13.8
96.95887	10.9
101.02330	5.6
108.07626	1.5
109.02842	27.6
111.04413	4.6
113.02299	3.7
119.04876	2.1
120.99525	1.4
123.00804	2.0
125.02326	19.1
133.02861	6.3
135.04439	1.8
137.02298	2.4
139.03915	13.4
145.02927	2.5
147.04448	3.0
161.02328	8.8
161.04477	1.6
166.02692	1.9
167.03397	7.2
167.66267	1.6
173.04468	5.6
177.01852	29.6
178.02261	1.6
187.03909	1.9
187.07538	2.1
189.01859	80.7
190.02437	6.4
191.03529	4.8
191.05537	48.8
192.05893	1.8
203.03432	6.2
216.00540	8.3
217.01363	100.0
218.01723	8.2
219.02975	6.0
231.03000	11.9
231.10248	1.8
233.04387	3.7
257.08286	3.6
267.02951	2.3
305.06680	4.8
327.05124	4.6
339.05252	1.8
347.07574	1.7
357.06177	93.0
358.06583	8.8
449.14688	3.5
456.41647	1.5
466.23358	3.1
467.09848	50.6
467.15326	2.1
468.10056	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	467.1128
Annotation	Pauciflorol E
Peak:m/z	Relative Intensity
56.62574	0.2
57.08212	0.2
58.14811	0.2
59.01255	2.3
60.99149	0.2
61.98700	0.5
67.01761	0.6
70.92439	0.3
71.01248	1.7
72.99178	0.3
73.02807	0.6
74.98991	0.3
78.95776	0.3
79.95607	2.3
83.01276	0.3
85.02837	0.9
87.00739	0.8
89.02321	0.6
93.03331	3.5
93.81965	0.2
96.55029	0.2
96.95891	100.0
97.95801	0.4
99.00745	0.2
99.04422	0.2
101.02338	1.2
107.03638	0.3
108.11365	0.2
109.02840	0.9
110.97446	0.6
111.04400	0.5
111.69008	0.2
113.02357	0.5
122.06018	1.9
123.04399	0.2
125.02338	0.8
129.01787	0.2
132.04469	0.3
133.02835	0.6
134.03633	1.5
135.04437	0.7
137.02356	0.5
139.02621	0.2
139.03899	0.4
151.03870	0.2
152.07082	5.3
153.07368	0.3
158.02364	0.4
161.02359	0.3
161.04483	0.4
173.04478	2.7
177.01924	1.4
178.02544	0.4
179.03398	0.3
189.01810	1.1
190.05028	3.0
191.05542	2.2
216.00531	0.3
217.01466	1.3
222.07678	2.5
245.07837	0.5
257.08206	0.2
275.09277	0.3
289.06958	0.4
293.10211	0.3
335.20734	1.4
341.06543	0.4
355.12863	1.5
357.06131	1.4
358.06482	0.3
359.16315	0.5
359.62347	0.2
387.15631	3.9
388.15875	0.6
402.86896	0.2
435.08609	4.5
436.08774	0.7
449.14767	0.3
467.11111	16.2
467.25052	0.5
468.11551	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
58.00452	1.1
59.00994	1.3
59.01258	16.8
60.99189	1.1
61.98701	2.0
67.01758	3.1
69.03330	1.7
71.01257	18.9
71.54246	1.0
72.99178	2.6
73.02819	13.3
81.03316	1.0
83.01262	2.6
83.04929	1.6
85.02835	7.7
85.99940	1.3
87.00760	11.4
87.04384	2.6
89.02320	5.3
93.03338	18.8
96.95905	9.4
96.96827	1.7
97.02825	1.3
99.00777	1.4
99.04409	1.9
99.21943	1.0
101.02326	13.7
103.03876	3.6
107.31684	1.0
109.02845	1.8
111.00787	1.2
111.04367	3.0
113.02309	3.8
113.09607	22.0
115.03934	4.3
125.02336	2.4
129.01721	1.1
130.60748	0.9
131.03391	8.9
133.02834	1.1
134.03629	6.4
135.04387	2.5
137.02339	4.3
138.84491	0.8
141.09113	2.7
143.03392	7.6
145.04991	2.1
151.00328	0.9
151.03937	1.1
153.01746	1.0
155.10695	1.9
159.04410	1.1
159.10176	45.1
160.01508	1.0
160.10486	1.1
161.04465	1.4
163.06009	2.9
173.04457	11.5
177.01822	2.6
178.02635	2.5
179.03462	1.6
189.01859	2.5
191.05557	14.9
205.07133	8.8
217.01370	1.8
257.08112	1.1
293.10196	2.0
335.20746	4.6
347.07541	1.1
357.06085	2.8
449.14511	2.9
467.15811	5.2
467.21243	100.0
468.16052	1.7
468.21649	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	467.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38085	0.1
59.01255	0.5
63.32812	0.1
69.89526	0.5
69.89876	0.2
71.01273	0.2
78.72723	0.1
83.04920	0.2
93.54892	0.1
97.06509	0.2
98.10345	0.1
118.38200	0.1
124.68855	0.1
353.24860	1.7
354.25223	0.3
363.26843	0.3
365.28635	0.3
389.28412	0.3
405.31693	4.7
406.31851	0.8
407.29691	0.4
423.32739	40.1
424.33081	7.7
424.39011	0.3
449.30664	8.1
450.31024	1.4
467.31699	100.0
468.32040	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3168
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
58.07502	0.6
59.01239	1.5
63.21121	0.6
66.52401	0.7
70.72543	1.6
83.23337	0.7
83.94390	0.6
92.76688	0.6
113.31155	0.6
137.75847	0.7
152.39743	0.7
154.52510	0.7
207.68983	0.8
343.57761	0.6
354.25708	0.9
355.26489	12.6
356.26599	1.4
386.24408	1.2
423.32693	29.6
424.32886	6.2
449.30463	5.1
450.31015	1.4
467.31665	100.0
468.32007	23.2
468.38687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3166
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
59.01257	4.4
59.35607	0.4
63.61980	0.4
68.89371	0.4
78.82996	0.4
87.00832	0.4
88.62130	0.4
120.31178	0.4
123.08046	1.5
146.66614	0.4
203.74103	0.4
280.76874	0.5
401.09131	0.5
405.31650	2.9
406.31885	0.7
407.29498	1.7
423.32684	20.1
424.33044	4.1
449.30618	5.2
450.30887	0.6
467.31638	100.0
468.31961	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	467.317
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
57.64871	0.4
59.01246	0.7
59.60073	0.4
69.78382	0.4
71.02589	0.7
71.43111	0.4
106.62721	0.3
112.30942	0.4
118.63037	0.4
353.25177	0.9
354.25888	0.5
405.31677	3.9
406.31891	0.8
423.32721	32.3
424.33096	6.6
449.30627	6.5
450.30899	1.1
467.31705	100.0
468.32043	21.3
468.38889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
59.01263	0.3
69.44550	0.4
69.44950	1.2
71.01241	0.2
83.04897	0.6
83.25117	0.2
98.19818	0.5
109.06469	0.3
136.06450	0.2
137.49805	0.2
139.07478	0.2
142.22501	0.2
211.41040	0.2
313.21707	0.9
327.23389	0.4
346.23096	0.2
405.31845	0.6
419.65811	0.2
423.32742	11.5
424.32971	2.2
449.30621	2.0
450.30942	0.4
467.31689	100.0
468.32028	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	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.3
60.01584	1.7
61.01677	0.9
61.81823	0.4
61.98705	100.0
64.70612	0.5
69.62508	2.5
70.66288	0.4
71.01254	1.4
89.02344	1.8
96.95893	1.2
99.00782	0.5
101.02322	0.6
106.51457	0.5
119.03426	0.8
149.09604	0.7
150.09972	0.8
167.10782	0.9
168.11052	0.7
191.05554	1.3
195.06638	0.7
208.40614	0.5
289.07385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	81.1
61.98697	7.2
67.01756	2.2
71.01258	14.7
71.41972	4.2
73.02826	3.9
81.03333	3.5
83.01247	3.8
85.02805	4.0
87.00755	2.7
89.02328	9.9
93.03330	8.1
95.01306	2.7
96.95885	15.7
99.04457	2.4
101.02333	9.9
113.02328	13.1
119.03403	4.6
120.26392	2.0
121.06510	3.1
125.02362	8.1
134.86647	2.7
135.04414	3.5
137.09622	33.6
138.10023	2.1
145.02879	2.5
147.08080	16.2
160.71666	2.1
161.04425	3.2
167.39957	2.3
173.04434	4.4
179.05562	2.6
187.11215	25.7
191.05565	8.2
191.31711	2.1
196.21790	2.4
203.14354	39.3
204.14671	2.4
219.08482	3.3
220.60443	2.6
229.12276	17.7
245.15343	5.8
247.13368	100.0
248.13730	10.4
271.13403	25.0
284.02463	2.4
289.14539	7.5
338.93854	2.3
402.04770	2.7
451.15326	6.4
469.16241	4.2
469.22122	3.5
469.27740	3.6
469.33051	3.4
470.29340	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	469.3324
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
51.31290	0.3
56.33281	0.4
57.03297	0.4
61.61370	0.3
70.84042	0.8
77.15288	0.3
99.88840	0.3
118.18902	0.4
153.32419	0.3
195.75473	0.4
208.13524	0.4
212.59615	0.3
227.59203	0.3
262.67242	0.4
264.98227	0.3
367.29840	0.5
407.99658	0.4
425.34253	6.9
426.34747	1.1
427.32126	0.5
451.31909	2.1
469.33209	100.0
470.33557	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
60.98343	0.8
70.12505	1.8
70.12873	1.6
82.75272	0.9
106.28966	0.8
137.70976	0.7
153.04517	0.8
193.93607	0.9
283.37915	0.9
425.34271	53.6
426.34543	9.4
451.32257	7.5
452.32541	2.2
469.33228	100.0
470.33612	21.7
470.40350	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	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.8
71.10946	1.5
71.32532	0.6
81.33322	0.6
85.57346	0.6
127.96738	0.6
132.64488	0.6
170.97446	0.6
180.81842	0.7
199.69099	0.6
260.64200	0.6
323.47696	0.7
326.68192	0.7
405.96228	0.6
425.34250	39.9
426.34625	7.4
451.32175	6.5
452.32562	1.3
469.33218	100.0
470.33597	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.85473	0.2
60.73787	0.2
78.18351	0.2
81.86609	0.2
83.74481	0.2
85.06467	0.7
97.57378	0.2
229.40718	0.4
265.21362	0.3
341.01810	0.3
391.29907	0.8
407.33127	2.7
408.33514	0.4
439.32172	0.6
451.32214	4.7
452.32535	0.8
469.33215	100.0
470.33575	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
65.83011	0.4
85.06447	1.2
93.03338	0.5
97.06456	0.5
98.19800	1.4
155.03409	0.7
201.48199	0.5
328.14789	0.6
357.40106	0.5
367.35510	0.5
425.34311	1.2
429.27808	0.6
469.33224	100.0
470.33597	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	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31876	0.3
54.41517	0.3
57.03327	0.6
59.01257	5.3
61.98701	0.7
66.62815	0.3
68.85504	0.3
71.01257	2.6
71.54642	0.6
72.99168	0.3
73.02839	0.8
74.76369	0.3
77.42908	0.4
83.01293	0.5
85.02833	1.7
87.04379	0.4
91.05399	1.7
93.03349	0.8
95.01253	0.5
95.04912	0.5
96.95898	0.7
97.05595	0.3
101.02339	1.4
101.03226	0.6
101.03854	7.6
110.41593	0.3
113.02327	1.4
113.05971	0.4
117.03358	16.7
118.03684	0.9
119.04920	100.0
120.05261	4.4
135.04405	0.8
139.03912	0.5
139.07588	0.6
145.02856	65.7
146.03204	3.2
159.04373	0.4
161.04556	0.5
161.06007	0.4
163.03925	31.6
164.04280	1.4
177.09154	0.3
187.03932	1.1
205.05058	0.5
247.06082	0.8
249.14973	2.0
307.08234	38.8
308.08606	3.6
325.09277	2.4
330.48804	0.4
427.13977	3.7
427.30798	0.7
428.14203	0.8
471.12827	4.1
471.29910	2.1
472.13055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32346	0.2
57.03315	0.2
57.68162	0.2
59.01253	3.6
61.98709	0.6
69.48615	1.4
71.01250	2.5
73.02837	0.7
82.74046	0.2
83.04900	0.3
85.02821	1.5
86.94141	0.2
89.02334	0.5
91.05403	2.1
93.03365	0.4
96.95882	0.6
98.19811	0.6
99.00749	0.5
101.02357	1.3
101.03851	7.7
102.04202	0.5
111.04445	0.4
113.02345	1.1
117.03354	16.5
118.03672	0.6
119.04919	100.0
120.05251	4.9
123.04430	0.3
135.04453	0.7
139.07561	0.7
144.90993	0.3
145.02858	65.7
146.02126	0.3
146.03212	3.2
159.04398	0.5
161.04509	0.4
161.05937	0.4
163.03923	27.6
164.04239	1.5
187.03938	1.1
203.06979	0.4
205.04962	0.9
238.00737	0.3
247.06097	0.6
249.15005	1.8
307.08237	41.9
308.08588	3.7
325.09241	2.3
375.59610	0.3
427.14011	4.2
428.14130	0.7
453.28461	0.4
471.12970	4.3
471.20447	0.3
471.23447	0.3
471.28958	1.6
471.35272	0.6
472.13376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01255	4.4
61.98713	0.6
71.01259	3.3
71.53499	0.7
73.02826	0.8
83.01267	0.8
85.02822	1.7
85.39629	0.4
87.00751	0.5
89.02318	0.9
91.05412	3.2
101.02325	2.0
101.03854	6.2
103.54341	0.4
108.05599	0.5
113.02341	1.2
117.03351	23.9
118.03673	1.2
118.78596	0.4
119.04919	99.6
120.05269	4.2
133.06491	0.4
135.04439	1.1
137.05928	0.4
145.02856	100.0
146.03191	4.5
159.04335	0.7
161.06107	0.6
163.03922	35.1
164.04256	1.4
175.04051	0.7
187.03989	1.3
205.05020	0.6
232.53444	0.5
247.06226	0.9
247.58350	0.5
249.14903	1.0
284.47238	0.4
307.08228	52.4
308.08551	5.6
325.09219	4.1
410.94025	0.5
427.14005	7.5
428.14282	1.5
453.28085	0.5
457.51163	0.5
470.68997	0.7
471.12997	11.9
471.19821	0.7
471.29596	1.5
471.35394	0.8
472.13388	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	471.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.3
62.96738	0.3
68.61412	0.3
69.28055	3.1
71.01257	1.6
79.95614	31.4
80.96391	0.6
85.02830	0.4
89.02313	1.3
95.95117	24.3
96.95899	100.0
97.95828	0.5
98.19763	0.7
98.95480	1.6
101.02338	1.1
110.97467	7.5
113.02341	0.7
125.02291	0.4
135.04419	0.9
136.99062	6.3
137.02417	0.4
139.03909	0.4
141.95665	1.0
161.02350	1.1
161.04428	0.6
163.03976	0.4
165.05348	0.4
167.00122	39.3
168.00409	0.9
177.05466	0.5
179.03386	0.8
191.05487	0.6
193.04922	0.5
195.06544	0.8
273.04517	1.8
277.23193	0.3
289.03851	0.5
303.05518	1.1
317.07083	0.8
333.06458	0.5
375.26987	0.4
376.15167	1.0
425.09384	0.6
456.11206	2.7
471.13330	95.9
472.13684	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54374	0.5
56.18901	0.5
58.06797	0.5
59.01251	5.0
59.35352	0.5
61.98728	0.5
69.67420	1.3
69.67826	1.7
71.01255	2.6
72.99186	0.6
73.02817	2.1
75.00758	1.5
85.02817	2.6
87.00733	1.1
89.02314	2.3
90.64440	0.7
93.03340	0.6
96.95891	1.2
101.02321	3.1
103.03913	0.8
108.61407	0.6
113.02370	0.7
117.03354	26.9
118.03682	1.5
119.04924	22.7
120.05279	0.8
125.02325	0.9
131.03464	1.1
133.06506	1.6
135.04408	2.8
143.03391	1.3
145.02864	100.0
146.03214	5.9
159.04439	0.8
161.06000	3.3
163.03925	66.6
163.06120	1.9
164.04277	2.6
177.05539	0.6
179.03387	3.3
187.03972	7.4
191.05594	1.2
205.05017	4.7
205.06924	1.1
471.15250	3.4
471.34726	0.8
472.15048	0.7
496.20895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01590	1.2
61.98719	3.3
68.73390	0.5
69.59956	3.1
71.01256	6.5
72.78224	0.5
73.02822	3.5
79.95606	5.8
83.01282	1.1
85.02833	0.7
87.00771	0.7
89.02338	2.0
95.01264	0.7
95.95128	0.6
95.98077	0.6
96.95894	44.1
98.95515	1.0
99.00739	0.6
101.02323	4.4
107.05022	0.5
113.02355	2.0
116.21545	0.5
117.03382	1.4
118.94202	0.5
119.03403	1.6
119.04909	7.9
125.02347	0.6
129.01923	0.5
131.03410	0.8
137.09633	0.5
145.02872	5.3
161.04456	1.8
161.09634	1.5
163.03926	7.2
167.34198	0.6
191.05580	2.3
231.13994	2.6
238.37866	0.6
249.14941	6.5
250.15289	0.6
250.32686	0.6
285.11523	0.9
298.08566	1.2
307.08194	2.8
313.10974	1.5
328.13193	2.7
427.27298	0.7
438.09961	4.2
439.10202	0.8
471.12799	1.0
471.29294	2.5
471.35358	1.0
489.92209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82602	0.8
55.01756	6.0
55.81340	0.7
57.03308	0.8
59.01254	18.4
61.98703	1.3
62.36426	0.8
65.18459	0.7
66.75104	0.8
71.01252	5.2
72.99184	1.2
73.02831	1.7
75.00742	5.2
76.95991	0.8
81.03331	4.9
83.01254	1.5
85.02808	2.2
85.60760	0.7
89.02312	2.9
93.03331	4.5
95.01310	0.7
96.95884	4.0
99.04409	1.0
99.72134	0.8
101.02339	4.3
113.02336	1.2
117.03324	1.2
119.04922	61.9
120.05244	2.9
121.02813	0.7
123.04422	12.1
124.04751	1.2
125.02334	7.7
129.01823	7.7
133.02864	1.2
134.03619	0.9
135.04424	14.3
136.70537	0.7
145.02843	4.7
147.02905	6.8
149.02426	0.7
151.00285	0.9
161.02382	4.3
161.04485	1.6
161.05879	0.9
163.03922	100.0
164.04305	5.7
165.03960	16.7
165.05247	0.5
167.03419	35.1
168.03757	2.6
169.03836	0.9
179.03409	10.6
180.03770	0.8
189.05566	1.2
189.67207	0.7
205.04941	1.0
241.08739	1.4
251.16449	0.7
255.02950	0.9
273.07693	51.6
274.08066	6.3
275.08289	2.6
283.09860	1.0
284.03140	0.9
284.71780	0.8
293.06683	1.5
309.06210	2.0
311.07706	52.0
312.08209	4.7
327.07260	1.0
341.10513	1.0
413.21689	1.5
419.11353	0.8
435.13016	5.5
436.12589	1.1
473.11191	2.1
473.17554	1.0
473.23825	1.0
473.31232	1.7
474.10596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03315	1.3
59.01254	15.5
71.01255	18.6
71.07990	0.9
72.99184	0.8
73.02825	2.5
83.01257	1.1
85.02821	10.1
85.03297	1.1
89.02314	5.9
93.03323	5.9
95.01262	3.6
101.02329	5.7
113.02338	24.7
113.58318	0.6
117.03349	24.4
118.03668	0.8
119.04919	77.9
120.05262	3.4
121.02850	4.3
123.04417	0.8
130.04172	1.0
131.04924	3.7
132.05714	3.4
133.02791	0.7
133.06497	18.1
143.03375	0.9
145.02856	92.6
146.03177	4.6
147.04414	16.2
148.04689	0.7
149.05971	2.3
156.60248	0.7
158.03654	1.6
159.04424	7.5
160.05103	1.2
161.04555	2.7
161.05984	31.0
162.06319	2.0
163.03922	100.0
164.04298	4.8
173.06035	2.2
175.03940	0.9
177.05481	19.6
178.05807	1.0
187.03941	40.6
188.04277	2.8
191.07056	4.8
203.06992	1.2
205.05009	59.5
206.05299	4.7
217.04996	4.8
235.06099	17.7
236.06480	2.5
265.07150	10.0
270.10666	0.7
307.08121	4.4
309.09940	1.9
325.09299	15.2
326.09552	1.4
376.68436	0.7
391.63190	0.6
473.14627	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	473.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85339	0.4
54.94907	0.4
58.00476	0.5
58.80226	0.4
59.01254	14.7
64.02453	0.4
68.53343	0.4
69.28931	3.4
71.01260	8.7
72.99168	0.8
73.02843	0.6
84.33247	0.4
85.02842	1.9
87.00759	0.8
89.02324	6.6
93.03363	4.8
95.01261	0.6
101.02334	5.3
113.02337	4.1
117.03358	16.1
119.03432	2.6
119.04930	58.6
120.05254	2.8
121.02856	4.0
123.04411	0.9
126.85073	0.4
131.04944	1.3
132.05724	4.7
133.02911	0.8
133.06509	19.0
134.03690	0.5
134.06819	0.6
143.03444	1.0
145.02870	98.3
146.03203	5.4
147.04434	20.0
148.04753	1.2
149.06017	0.9
158.03535	0.5
159.04465	1.9
161.06007	41.8
162.03174	1.4
162.06311	2.0
163.03938	81.6
164.04245	4.1
177.05511	27.1
178.05864	1.6
179.05556	3.3
187.03914	3.8
191.07094	0.9
205.05025	65.2
206.05383	4.3
207.06273	0.4
217.05046	1.0
229.05060	0.5
235.06104	56.0
236.06436	3.3
251.16537	3.2
259.06009	0.6
265.07190	100.0
266.07532	7.1
266.10129	0.8
284.30222	0.5
295.08176	0.5
307.08310	1.4
325.09293	12.7
326.09622	0.8
327.10919	9.0
328.11023	0.6
473.14615	3.6
474.14688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.4
58.00473	0.6
59.00954	0.9
59.01245	13.2
59.01529	0.9
71.01252	10.3
72.99192	0.9
73.02835	0.6
77.56690	0.4
78.10738	0.4
85.02814	2.3
89.02308	7.2
93.03345	4.0
95.01256	0.6
97.02769	0.4
98.19731	0.6
101.02311	4.8
103.05422	0.4
106.04141	0.4
113.02329	5.1
117.03345	17.6
118.03647	1.2
119.03428	3.1
119.04915	64.3
120.05237	3.1
121.02846	4.4
123.04404	1.1
123.85315	0.3
131.03377	0.5
131.04912	1.9
132.05711	4.6
133.02852	0.7
133.06493	20.7
133.53908	0.3
134.06827	1.5
135.04413	0.9
143.03406	1.1
143.04909	0.9
145.02855	100.0
146.03183	5.7
147.04420	19.7
148.04774	0.9
149.05968	1.0
159.04404	2.0
160.05144	0.4
161.05984	44.1
162.03157	1.2
162.06314	3.4
163.03915	74.6
164.04272	4.9
175.03912	0.5
177.05490	25.1
178.05829	1.6
178.36751	0.4
179.05484	3.3
187.03943	3.3
191.07108	0.7
205.05000	56.0
206.05357	4.7
217.05038	0.7
235.06078	47.4
236.06380	4.3
259.06113	0.6
265.07153	89.0
266.07498	8.6
307.08148	0.8
310.04922	0.4
318.78381	0.4
325.09277	9.7
326.09546	1.3
327.10815	7.1
328.11148	1.0
390.02478	0.4
473.14890	3.0
474.14725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	26.4
71.01254	12.5
71.54114	1.1
72.99191	1.1
73.02823	1.6
74.80167	0.8
78.22667	0.8
83.01251	1.3
85.02827	4.6
86.72727	0.9
87.04361	1.6
89.02335	6.6
90.61681	0.9
93.03342	4.4
96.95856	1.3
99.00771	1.1
101.02319	6.6
110.24846	0.8
113.02340	5.9
117.03333	11.9
119.04917	81.4
120.05230	3.0
121.02835	6.1
123.04440	1.1
125.02386	1.2
130.19954	0.8
131.04918	3.3
132.05707	5.0
133.06502	23.2
134.03612	1.3
134.06921	1.0
135.04407	0.9
135.58348	0.9
143.04900	0.9
145.02855	80.6
146.03160	3.9
147.03293	1.4
147.04414	20.7
149.05989	2.2
159.04428	1.6
160.05122	1.0
161.04730	1.8
161.05991	54.5
162.03154	1.7
162.06340	2.0
163.03920	98.2
164.04291	5.2
177.05486	29.9
178.05836	1.7
187.03969	3.7
190.80901	0.8
205.05002	64.5
206.05278	4.2
235.06076	51.8
236.06281	4.3
265.07159	100.0
266.07520	9.4
290.35840	1.1
307.08179	1.5
325.09271	16.8
326.09888	1.2
327.10840	7.7
413.21512	1.5
431.22754	1.1
469.45404	0.9
473.14417	14.1
473.23849	7.6
474.14526	2.0
474.24835	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	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.03690	2.7
79.11731	0.7
91.20773	0.7
96.92840	0.6
98.19867	1.0
110.93970	0.6
112.50465	0.7
116.12051	0.6
135.04416	1.4
154.29182	0.7
299.44669	0.7
318.00122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51978	0.5
57.03314	0.7
59.01254	100.0
60.01582	0.9
61.98718	0.8
69.57449	1.2
69.57857	3.0
71.01253	3.1
73.02820	1.2
75.00742	0.8
85.02832	1.5
87.00771	0.8
89.02312	3.3
93.03358	1.0
96.95915	1.6
101.02347	2.6
102.01873	0.8
102.46138	0.7
103.00244	0.7
105.01821	1.5
109.02907	0.6
109.05781	0.6
113.02353	1.5
119.03388	1.4
119.05008	0.5
145.02864	0.9
161.04459	1.0
177.01959	0.6
178.99857	0.7
179.10793	1.0
189.01859	0.8
191.05551	5.4
197.02034	0.6
205.04971	1.1
207.63721	0.6
251.12920	0.8
265.07309	1.0
321.03873	2.0
346.29764	0.7
363.04947	1.3
401.03848	0.7
410.57147	0.5
413.21838	1.9
473.09622	3.1
473.31528	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03325	2.3
58.00452	1.5
59.01252	84.0
61.98702	3.4
63.45603	0.6
69.03320	0.9
69.35270	3.6
69.35684	1.1
71.01254	36.0
71.04884	1.0
72.99187	2.9
73.02818	13.9
81.03293	0.6
83.01254	6.2
85.02824	15.1
87.00739	3.6
87.04398	7.4
87.30542	0.6
89.02323	10.3
90.02615	0.7
93.03316	1.1
95.01261	2.2
96.95896	4.0
97.02825	1.2
97.28450	0.6
98.20609	1.4
99.00755	3.9
99.04403	0.9
101.02324	24.0
101.05951	3.0
102.02639	0.9
113.02342	14.3
117.03358	2.4
119.03465	3.9
119.04919	12.1
121.02878	0.7
125.02332	1.8
131.03421	0.7
132.05675	1.0
133.06508	3.8
143.03404	2.3
145.02853	12.4
146.39525	0.7
147.04448	2.5
149.04475	0.6
149.40305	0.7
159.02922	1.2
161.04489	6.0
161.06009	9.1
163.03912	14.5
164.04172	0.7
177.05484	5.5
179.05624	1.5
187.03958	1.0
205.04997	11.9
206.05412	0.9
227.03470	4.7
229.04889	0.9
235.06068	6.6
236.06448	1.1
251.16499	3.1
255.02917	7.4
256.03442	0.9
265.07175	16.8
265.09952	1.1
265.93344	0.6
266.07593	1.3
269.17584	1.6
284.03265	5.0
285.04047	9.2
286.04398	1.2
325.09326	2.2
387.23883	8.6
388.24316	1.3
404.22928	0.7
413.21774	11.0
414.22058	1.4
431.22882	16.3
432.23248	1.8
473.10791	4.3
473.23901	100.0
474.24222	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56069	0.1
53.32310	0.1
55.42687	0.1
59.01258	1.5
60.15807	0.1
62.96297	0.1
71.01263	0.4
78.95780	10.1
83.04899	0.2
91.13249	0.1
96.96838	0.3
97.06469	0.1
114.06681	0.1
116.99094	0.1
122.00044	0.3
127.07580	0.3
140.01089	2.8
152.99492	1.2
171.00562	0.4
189.42453	0.1
196.03758	1.4
214.02750	0.2
214.04814	3.7
233.22588	0.3
259.20621	0.5
263.37317	0.1
275.20212	0.4
277.21729	100.0
278.22073	12.6
431.25717	0.2
457.25821	0.8
474.26254	8.9
475.26523	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94221	0.3
59.01251	1.7
65.11577	0.3
70.45464	0.6
70.45812	0.7
71.01260	0.4
78.95776	45.5
96.96870	1.8
115.13385	0.3
122.00002	0.9
140.01079	7.0
152.98311	0.6
152.99487	5.5
153.00711	0.3
166.02722	0.4
171.00543	3.5
172.91849	0.3
191.79019	0.3
196.03728	12.6
197.04051	0.3
213.56329	0.3
214.04796	3.6
259.20679	0.8
270.11444	0.3
275.20172	0.5
276.60397	0.3
277.21713	100.0
278.22064	12.1
427.42181	0.4
474.26230	37.0
475.26569	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	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31848	0.5
57.03317	1.2
59.01254	5.7
65.00180	0.8
69.24486	4.7
71.01257	2.0
72.99185	1.4
75.00748	0.6
81.03348	3.4
83.01254	3.1
85.02833	1.0
87.00775	0.8
88.00296	0.9
88.98669	2.8
89.02331	6.5
93.03327	1.6
95.01262	0.5
95.04922	1.0
96.95911	0.7
97.02848	0.5
99.04385	0.5
101.02325	1.4
109.02811	0.6
113.02332	0.9
123.04412	34.4
124.04741	1.5
125.02350	5.4
137.02339	1.0
139.03986	0.8
149.02370	1.1
151.00272	1.3
151.03926	1.2
162.29645	0.5
162.83884	0.5
163.03969	1.3
166.02745	0.6
167.03415	100.0
168.03743	5.0
175.00304	1.3
179.03415	0.8
181.04997	2.1
191.03438	18.3
191.05501	2.1
192.03813	1.2
209.04494	7.6
210.04979	0.7
221.04523	0.8
366.03183	0.5
415.16296	0.9
475.14523	34.2
476.14752	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	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	89.4
66.08763	3.2
69.03327	3.5
69.27896	26.5
71.01251	61.8
73.02829	17.8
83.01263	4.8
83.40443	3.8
85.02830	9.6
89.02319	100.0
96.95887	29.3
98.95489	11.1
99.00763	34.4
101.02319	36.8
113.02312	12.0
119.03380	8.4
125.02298	6.4
131.03401	19.2
132.03734	3.7
134.06029	8.1
148.03992	7.3
149.04460	69.7
153.09116	5.5
161.04425	6.9
179.05592	4.9
191.05482	25.1
192.05875	4.5
251.07816	8.9
276.08020	3.8
283.11978	3.7
295.10834	11.8
311.09927	4.0
415.16125	49.8
416.16791	5.5
475.11279	5.7
475.17062	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78462	1.7
52.12813	1.5
57.03316	3.4
59.01252	44.2
64.31008	1.3
69.80926	5.1
71.01252	33.6
72.99161	3.5
73.02827	15.1
75.00755	2.6
81.03325	5.7
82.81873	1.4
83.01250	11.0
83.72135	1.3
85.02828	19.5
87.00768	2.9
88.00253	1.5
88.98696	3.3
89.02323	16.6
93.03315	2.3
95.01257	2.8
96.95862	3.1
98.19889	1.5
99.00757	4.7
101.02319	32.4
102.02669	1.7
102.54587	1.4
103.03902	1.9
113.02325	12.7
119.03393	2.3
123.04412	40.3
124.04730	2.5
125.02337	8.5
138.65742	1.5
143.03317	1.9
149.02377	1.8
153.01851	1.8
159.02834	2.1
161.04478	16.8
163.06000	1.6
167.03415	100.0
168.03726	3.9
181.01340	4.7
181.04991	2.1
191.03401	19.1
191.05406	3.3
209.04529	7.8
269.10294	42.4
270.10590	3.8
415.16101	62.1
416.16412	7.3
475.14548	31.8
476.14642	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3066
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
50.05778	0.4
50.25895	0.4
55.89531	0.4
57.03325	23.9
59.01248	1.6
78.95777	0.8
98.20597	0.9
101.05965	100.0
102.06314	2.7
123.04346	0.6
135.04436	6.5
136.05270	0.6
136.45998	0.5
137.05978	6.5
151.03896	1.0
152.99498	0.4
163.03920	14.1
164.04684	2.3
165.05492	12.0
166.05792	0.7
196.03645	0.7
217.08636	0.5
263.96497	0.4
279.23199	2.1
358.21704	0.5
361.23813	1.0
373.23831	27.9
374.24185	4.0
457.29559	7.9
458.29688	1.6
475.09875	0.5
475.24783	0.5
475.30753	8.4
476.31015	2.1
485.92410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01232	0.4
69.55568	0.1
71.53920	0.2
78.95774	6.5
96.96848	0.2
121.99947	0.2
140.01083	2.5
152.99525	0.8
171.00531	0.2
190.00255	0.2
196.03755	1.2
214.04822	3.2
261.22256	0.3
279.23285	100.0
280.23624	12.3
323.07953	0.1
433.27823	0.2
476.27823	8.0
477.27875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23817	0.2
59.01246	0.4
61.19371	0.2
70.06841	0.5
70.07236	0.4
72.00355	0.2
78.95777	38.9
80.53588	0.2
81.80695	0.3
83.04884	0.2
96.96845	1.1
98.19215	0.2
122.00009	0.8
134.98351	0.3
140.01082	5.7
152.99496	4.7
164.04735	0.2
171.00575	3.1
196.03726	11.2
196.54636	0.2
214.04860	2.7
261.22369	0.4
279.23282	100.0
280.23627	11.3
280.26779	0.4
459.72443	0.3
476.27820	35.2
477.28046	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
66.66453	0.2
69.40512	1.9
78.95779	100.0
81.44868	0.3
96.96842	8.4
97.96160	0.2
106.33537	0.3
121.02857	0.6
137.06053	0.5
140.01074	0.6
150.97969	0.3
152.99498	16.9
153.99860	0.3
165.05536	0.4
171.00563	18.7
172.00882	0.4
196.03653	0.5
214.04781	0.3
279.23325	4.1
298.62045	0.3
402.24197	1.2
433.27304	0.5
476.27826	51.1
477.27890	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	477.1041
Annotation	6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
59.01247	2.5
62.23343	0.2
63.02276	0.4
65.00209	0.3
65.96582	0.3
69.53311	0.5
69.53717	1.3
71.01259	0.8
72.76299	0.3
83.01255	0.6
89.02296	0.7
96.95896	0.3
101.02316	0.4
107.01293	1.2
109.02921	0.3
110.66302	0.3
125.02264	0.5
133.02852	0.4
143.04895	0.4
147.04366	0.3
151.00266	3.5
153.01848	0.4
157.02849	0.5
161.04485	0.3
163.00327	0.5
169.01378	0.4
171.04420	1.3
175.03947	0.4
178.99777	0.5
183.04407	0.4
187.03922	0.9
197.11801	0.3
199.03923	5.7
200.04361	0.4
201.01897	2.1
202.23897	0.3
203.03421	1.0
204.04121	0.4
205.04915	0.3
215.03453	4.8
216.03745	0.7
221.72539	0.3
225.01909	0.9
226.02676	1.0
227.03438	5.5
228.03856	0.6
229.01335	0.8
242.00201	0.2
242.02168	12.6
243.02959	50.3
244.03326	4.0
255.02943	1.6
257.04544	13.3
258.04926	1.2
270.01709	15.5
271.02466	48.1
272.02832	4.8
285.04047	25.6
286.04688	8.3
287.05252	0.9
299.01990	9.1
299.05359	0.6
300.02695	7.3
301.03024	0.6
313.03674	0.3
314.04309	50.0
315.04947	13.2
316.05502	0.8
357.06140	1.1
477.10370	100.0
478.10733	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	477.104
Annotation	Mearnsitrin
Peak:m/z	Relative Intensity
50.21812	0.7
59.01254	9.4
61.28289	0.7
61.98736	1.3
63.02276	1.2
65.00199	1.4
69.60453	2.9
70.91474	0.7
71.01266	2.1
73.02853	1.5
75.00758	1.8
76.57134	0.7
83.01231	1.8
85.02863	1.7
89.02340	1.6
90.98500	1.3
95.01260	0.9
96.95908	1.3
98.19791	1.4
101.02351	2.1
107.01289	2.0
113.02394	1.0
119.04999	1.3
121.02889	1.4
123.00809	1.2
124.01549	1.4
125.02348	5.2
133.02893	1.1
139.00334	1.0
145.02898	2.0
147.04492	0.8
151.00293	9.1
151.03981	1.0
153.01833	1.2
159.04469	1.3
161.02405	1.2
161.06009	1.4
163.00291	2.6
163.01740	0.8
165.99026	1.1
166.99760	1.0
171.04530	1.6
177.01938	0.9
178.99799	7.0
187.03961	2.7
194.99309	1.2
199.03987	3.1
201.01978	2.0
203.03470	4.3
204.04051	0.9
213.01895	1.1
214.02525	1.4
215.03474	7.2
217.01404	1.6
218.02089	1.1
227.03455	4.0
229.01451	1.3
231.03056	5.4
241.01442	1.1
242.02179	7.4
243.02980	37.8
244.03259	3.5
245.00964	1.3
255.02937	1.2
257.04590	8.9
258.01874	1.3
258.05048	1.1
259.02490	11.1
260.02875	0.9
270.01724	11.7
271.02493	52.7
272.02863	5.5
285.04053	18.3
286.04681	6.5
287.02014	21.1
287.05026	1.3
288.02588	2.3
298.01199	1.0
299.02008	13.2
300.02698	6.8
301.03693	1.4
301.10968	0.9
303.01489	1.8
313.00079	1.6
313.03555	1.0
314.04346	38.1
315.01556	33.7
315.05078	9.1
315.12402	1.3
316.02158	13.1
317.02634	1.3
329.02777	0.9
330.03824	37.7
331.01019	2.8
331.04559	37.1
332.01694	0.9
332.05023	4.4
357.05484	0.7
477.10522	100.0
478.10925	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79049	0.5
54.05727	0.5
59.01251	100.0
60.01605	0.8
64.25912	0.6
70.82612	1.4
71.01255	14.3
73.02809	4.7
75.00760	1.7
83.01255	1.4
85.02815	5.6
89.02328	2.5
95.01284	1.2
99.00746	1.2
101.02333	7.4
103.03893	0.7
103.75941	0.6
107.59325	0.6
113.02335	4.3
119.03437	1.0
121.02831	12.7
133.04968	5.8
135.04424	1.1
143.03404	1.3
157.04961	0.8
159.02914	0.8
161.04475	15.2
162.04758	0.7
166.06264	97.4
167.06628	6.2
181.08623	96.2
182.08955	6.3
191.05542	1.5
201.36377	0.5
205.03511	0.8
235.08199	10.0
340.49567	0.7
417.17651	5.8
418.17865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.265
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
52.80581	0.5
59.01241	1.2
70.68909	1.3
70.69244	0.7
78.95776	10.0
83.02650	0.6
96.96848	0.9
98.20167	1.2
111.04440	0.8
115.10876	0.5
119.28439	0.6
121.02860	0.8
122.03608	0.6
123.04422	0.9
123.53722	0.5
135.04431	9.4
136.05197	2.2
137.05995	16.8
139.07498	0.9
140.01051	0.6
150.03128	0.6
152.04662	0.8
152.99516	1.4
163.03928	11.1
163.05217	1.2
164.04691	9.3
165.05496	21.1
166.05919	0.7
171.00548	1.1
196.03741	3.2
218.09456	0.6
263.14410	1.2
277.16116	0.8
279.17648	1.8
279.23312	8.2
280.23627	21.2
281.23969	0.6
354.11020	0.5
359.24100	1.2
377.21082	0.8
404.25363	0.9
417.24313	2.7
419.28000	32.9
420.28210	4.4
431.25903	0.9
433.27463	34.0
434.27921	5.7
449.32477	1.6
459.25385	4.3
459.31226	7.0
460.31210	1.3
462.29846	0.7
477.26480	100.0
477.32410	25.2
478.26727	22.6
478.32791	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88580	0.9
55.01765	2.5
55.07546	0.9
57.03314	1.8
58.00462	1.3
59.01252	100.0
60.01581	1.2
61.98703	3.7
71.01257	46.5
71.02824	1.1
71.03174	1.5
72.99181	1.9
73.02819	11.7
76.41652	0.8
83.01263	4.7
85.02821	18.5
87.00756	2.9
87.04367	0.9
89.02315	19.1
95.01249	3.4
97.02817	1.5
99.00773	6.3
101.02325	34.0
106.28549	0.9
108.81342	1.0
113.02331	19.5
119.03426	6.8
125.02371	1.6
143.03409	3.0
149.04442	2.3
159.02901	4.1
161.04482	31.7
179.05559	3.9
191.05548	1.4
255.19713	1.6
365.23404	1.2
417.24942	68.7
418.25342	11.5
441.53409	0.9
477.24060	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01588	1.4
60.73169	0.4
61.98708	2.8
69.19657	0.4
70.01693	1.8
71.01252	1.8
72.49814	0.4
81.42505	0.4
83.04876	0.4
85.02843	0.8
87.00780	0.5
88.98681	1.1
89.02336	1.1
92.63277	0.4
96.95889	3.7
98.20679	0.4
101.02361	0.8
113.02317	0.6
119.03357	0.6
133.02849	0.4
135.04370	2.0
155.33502	0.4
161.02338	0.6
161.04488	0.7
164.98613	0.4
171.04355	0.6
178.99838	0.6
191.05634	1.0
271.02606	0.6
279.70471	0.4
287.01944	0.5
300.02866	1.7
301.03632	0.6
306.52249	0.4
315.01511	1.1
315.05264	2.0
331.00717	0.5
477.21527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3227
Annotation	Dolicholide
Peak:m/z	Relative Intensity
54.27162	1.7
58.00455	4.4
59.01249	3.2
71.04911	11.0
73.06456	1.5
83.04896	2.9
85.06473	2.5
90.10825	1.7
101.05962	25.0
122.03638	6.7
123.04413	10.1
135.04419	13.7
151.11626	1.5
168.16956	1.6
209.11775	2.2
227.55533	1.4
274.71191	1.7
359.25745	3.3
391.32196	12.9
392.32419	2.2
404.53952	1.5
415.32217	4.1
431.31598	3.6
433.33231	100.0
434.33618	18.9
467.13562	1.6
477.32346	30.8
478.32611	5.0
479.43283	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	477.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.0
57.31121	0.5
59.01257	0.7
69.41924	0.6
70.29146	0.6
70.29469	1.4
73.79601	0.6
78.95782	0.8
87.04402	5.8
101.05957	7.6
121.02834	1.1
122.03625	1.8
123.04411	1.4
135.04420	30.4
136.05244	7.5
137.05983	76.3
138.06310	3.3
149.02348	1.7
149.06035	1.1
151.03923	1.3
152.04724	2.4
163.03917	34.4
164.04703	28.2
164.06120	0.9
165.05482	86.7
166.05849	5.2
175.07639	0.8
177.05557	1.3
178.06284	2.2
187.07631	0.6
189.05457	0.8
189.09062	0.7
191.07063	2.7
196.03720	8.4
200.30766	0.6
203.07126	3.9
204.07805	1.7
218.09395	1.7
227.67844	0.6
243.25169	0.6
268.12155	0.6
286.78839	0.6
357.24301	1.3
360.22885	1.4
371.25821	1.8
373.23587	1.0
374.24542	1.4
375.25406	36.0
376.25723	5.1
389.26971	32.1
390.27509	5.7
397.43530	0.6
419.28067	1.4
431.31360	0.8
433.27756	0.7
441.30106	2.1
444.28763	3.3
449.32785	4.2
450.33182	1.2
459.31155	96.3
460.31512	19.4
462.29800	1.7
477.32205	100.0
478.32584	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	477.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.5
57.03333	5.3
59.01255	9.1
66.77839	0.7
69.03325	0.8
70.65531	1.7
70.80723	0.7
71.01255	5.9
71.04894	3.3
73.02825	1.2
81.03329	2.3
83.04920	0.9
84.07359	0.8
85.02830	1.1
85.06466	1.3
89.02319	6.4
93.03309	0.9
95.04948	1.0
96.95869	0.9
97.02806	1.2
97.06475	2.9
98.20586	0.9
99.00776	1.0
99.08035	3.7
101.02338	2.7
107.04942	1.2
113.02339	1.2
113.09608	1.4
115.03880	0.8
121.02834	1.1
122.03638	5.2
123.04427	8.5
123.08055	1.9
125.02342	2.9
131.03435	1.5
135.04416	13.7
135.72037	0.7
136.05222	4.9
137.09631	1.4
143.10692	8.3
144.11159	1.0
149.04510	1.5
175.07603	0.9
233.06635	2.1
245.22934	0.7
287.23792	1.1
293.08725	2.3
349.27542	1.1
373.30862	1.2
390.30453	0.8
391.32205	5.9
415.32068	2.5
418.34576	0.8
433.33218	100.0
434.28006	1.3
434.33582	16.3
435.31064	1.6
477.32312	29.7
478.32254	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	477.3222
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
57.03450	0.8
59.01108	1.3
59.01416	1.3
71.01120	0.9
71.04727	1.8
71.05149	1.3
76.14937	0.5
78.68994	0.6
79.05265	1.0
81.03172	0.7
81.03587	0.6
83.04728	1.2
83.05173	0.8
85.06304	1.3
85.06779	0.7
89.02186	0.7
90.43913	0.5
90.73413	0.5
95.04726	1.2
95.05247	0.8
97.06306	1.4
97.06840	0.6
98.20153	3.3
101.02190	1.0
109.06298	1.1
119.77613	0.6
121.02724	0.7
122.03385	3.0
122.97711	0.6
123.04164	9.1
123.05161	1.4
125.05797	1.2
135.04156	9.2
135.05280	1.4
136.04944	3.8
137.02165	0.9
137.05722	2.3
137.09378	3.5
141.12497	8.2
142.12959	0.7
151.07382	0.5
169.12003	0.7
171.13557	7.4
171.15097	0.7
172.13965	0.9
175.07353	1.4
185.15120	1.1
201.08987	0.6
217.19339	0.6
219.17448	2.7
243.17224	0.8
261.18478	1.8
347.25900	0.6
349.27557	0.9
361.27484	0.7
389.30502	1.4
391.32156	6.1
392.32520	1.0
415.32275	2.8
431.31650	1.4
433.33224	100.0
434.29129	0.4
434.33569	17.8
435.31244	2.3
477.32339	25.1
478.32562	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	477.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46435	0.5
54.34940	0.5
57.03320	2.4
59.01246	2.2
69.81731	2.8
71.04891	3.8
81.03321	0.8
83.04874	1.8
85.06462	5.5
94.52838	0.5
95.04909	1.1
97.06492	1.4
98.20515	1.1
103.81232	0.6
109.06467	1.1
111.08080	0.7
115.07526	1.0
121.02858	1.5
121.06436	0.8
122.03638	3.9
123.04414	9.7
123.07994	0.7
125.05980	1.2
127.11192	1.5
135.04410	9.4
136.05203	4.6
137.05969	0.9
137.09625	2.5
148.05180	1.0
149.06047	0.5
157.12248	6.7
169.81662	0.5
175.07541	1.5
178.99760	0.5
209.11797	0.7
210.12083	0.7
228.51822	0.5
231.21184	1.0
233.19167	0.8
247.17068	0.7
349.27539	1.1
391.32129	7.0
392.32675	1.1
415.32477	2.9
416.32480	0.7
431.31799	2.1
433.33215	100.0
434.33524	18.6
435.31042	2.9
477.32208	22.8
478.32602	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	478.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.9
59.01255	5.8
61.98704	100.0
69.32806	4.3
71.01254	5.5
72.99168	0.7
73.02824	1.6
75.00750	0.9
83.01273	0.6
85.02829	2.7
87.00744	0.9
88.50415	0.5
89.02305	2.7
93.03397	0.7
96.95889	2.4
97.02834	0.7
98.20506	1.2
99.00727	0.8
101.02345	3.4
107.01292	0.6
113.02357	2.0
119.03416	0.5
120.99528	0.6
123.04440	0.7
124.01589	0.8
125.02376	1.3
131.03418	0.6
137.02328	2.3
151.00288	2.3
152.01041	0.8
155.10709	0.7
163.00241	0.7
166.09161	0.5
178.99831	3.0
185.11835	1.6
189.81111	0.5
191.05554	1.4
194.71539	0.5
214.02724	1.8
242.02240	1.4
243.02809	1.2
259.02466	3.0
270.01746	1.5
271.02460	14.4
287.01962	7.9
288.02713	1.0
299.01953	0.6
315.01575	2.3
316.02225	28.5
317.03122	4.6
330.70551	0.5
347.17068	8.0
479.08286	22.1
479.21161	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	479.0835
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
59.01250	4.7
65.00227	1.5
71.01270	2.5
71.17073	1.5
85.02844	2.0
87.00768	1.3
89.02333	3.7
97.46429	1.0
99.92445	1.4
101.02390	1.6
107.01286	2.2
110.32380	1.1
113.02369	1.2
115.91965	2.1
116.92754	2.5
121.80298	1.0
122.84515	1.2
125.02332	1.6
133.02994	1.0
137.02412	1.7
139.07585	1.3
139.61418	1.0
144.34586	1.2
145.02580	1.3
149.02292	1.3
151.00310	8.3
156.34256	1.0
161.02336	2.0
163.00281	2.1
164.01096	7.4
178.99841	1.2
183.04425	1.6
189.01852	1.5
191.05542	8.4
198.02994	1.3
199.03888	2.5
201.01836	8.1
203.03424	5.9
227.03488	5.2
231.03006	4.3
243.02924	5.5
255.02997	3.8
271.02484	67.9
272.02820	6.7
279.12512	1.8
283.02707	1.4
287.01968	3.2
299.01953	100.0
300.02295	12.1
316.02267	13.8
317.02969	4.1
376.95416	1.2
479.08334	20.9
480.08884	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	479.083
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
59.01237	4.0
63.02273	2.8
65.00184	6.1
69.51187	4.8
69.51598	5.0
71.01260	1.9
81.03339	1.8
82.27399	1.7
83.01247	5.9
86.82394	1.5
94.71358	1.4
95.01270	4.2
99.00734	2.6
99.54520	1.9
101.43166	2.1
106.00455	2.2
106.31813	1.9
107.01276	8.6
109.02824	15.5
111.00763	8.6
123.00770	7.7
124.01552	2.9
124.98701	2.4
125.02366	5.2
133.02837	4.5
135.00806	2.1
137.02315	2.7
139.00293	14.1
141.01793	3.2
143.04884	2.2
145.02885	2.0
147.04474	2.7
148.01595	2.2
149.02342	4.7
149.99475	5.0
151.00282	33.0
151.16695	1.6
152.01015	5.2
153.01793	6.4
154.99831	3.1
159.04439	5.4
161.02309	3.8
163.00294	4.1
163.03918	2.9
165.99004	3.8
166.99731	4.7
168.00539	6.5
169.01341	3.1
171.04500	4.0
173.02365	3.1
173.95428	1.7
174.03149	1.8
175.03928	5.7
177.01857	2.4
177.98984	5.9
178.99785	43.6
180.00235	3.7
184.53682	1.6
185.02357	2.5
187.03952	10.7
189.01866	5.0
190.02612	1.9
190.99828	1.8
191.03339	2.7
192.00601	3.1
193.01407	3.3
194.99239	4.7
199.03867	6.2
201.01898	3.8
202.02673	3.1
203.03383	11.3
204.97780	2.4
205.01411	3.0
205.04997	2.9
207.03032	2.4
213.01749	2.7
215.03462	11.3
217.01355	3.0
217.05186	2.0
219.02963	3.7
222.98846	4.0
227.03557	2.7
229.01355	3.2
230.02049	1.8
231.03009	9.8
232.03731	12.0
233.00928	2.1
233.04488	17.3
234.04785	2.1
242.02208	2.4
243.02914	14.3
245.00949	2.8
245.04478	5.3
246.01512	2.2
247.02347	3.3
258.01733	2.3
259.02457	12.1
260.03015	2.1
261.01239	1.6
261.03992	10.4
269.01144	3.0
271.02490	20.8
272.02963	2.5
286.00989	4.1
287.02008	43.4
288.02527	9.7
289.03564	14.4
297.00357	4.9
299.01923	6.9
303.01483	2.8
304.02179	4.1
305.02960	2.6
315.01456	100.0
316.01810	9.0
317.02841	3.8
327.07355	2.6
332.01715	17.2
333.02457	23.5
334.02740	3.5
339.07217	4.2
343.06650	5.6
347.20218	2.3
379.10226	4.6
407.09579	4.0
435.09225	2.5
451.09631	2.5
461.07147	9.9
479.08279	57.8
479.72583	1.9
480.08405	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	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
63.02263	0.9
65.00191	2.2
67.01804	0.4
68.99681	0.7
71.01264	0.6
71.34550	0.6
81.41257	0.5
83.01258	1.4
88.17886	0.4
89.02310	0.4
95.01266	1.9
96.95900	0.4
99.00798	0.4
106.27511	0.4
107.01273	2.6
108.02118	0.6
109.02832	4.2
109.99982	5.8
111.00779	2.8
119.01315	0.4
120.99535	0.4
121.02814	0.5
123.00774	2.9
124.01576	2.7
124.98755	0.5
125.02367	1.9
133.02901	0.7
135.00839	1.0
136.98680	1.5
137.02330	1.9
137.99504	2.6
139.00276	7.1
141.01854	0.5
141.99049	0.4
143.04962	0.5
145.02901	0.6
146.03616	1.0
147.86629	0.4
148.01556	1.0
149.02344	1.4
151.00281	9.5
152.01080	5.7
153.01790	1.0
159.04410	1.3
161.02332	1.3
163.00296	3.5
164.01076	2.8
165.01843	1.0
165.98997	6.5
166.99768	5.4
169.01294	0.5
171.04488	2.0
172.05173	0.6
173.02361	1.0
173.06064	0.6
174.03116	1.6
175.00275	0.6
175.03935	1.3
176.01099	0.8
177.01848	0.6
178.99782	8.2
180.00281	0.9
183.04411	0.7
185.02458	0.4
186.03290	0.6
187.03908	2.8
189.01854	1.1
189.05469	0.6
192.00575	1.0
193.01320	0.6
193.98471	0.5
194.99246	0.9
197.02385	0.7
198.03154	1.2
199.03914	3.6
201.01840	1.5
201.05505	0.9
202.02556	1.3
203.03462	2.7
204.04190	0.5
205.01355	0.5
206.99280	1.0
208.00098	0.9
211.03995	0.8
213.01897	1.2
214.02641	2.4
215.03474	3.4
216.04124	1.5
217.01457	0.8
217.04991	0.8
218.02080	0.6
226.02649	1.4
227.03473	5.4
228.03946	0.7
229.01447	0.9
230.02132	1.0
231.02957	4.2
232.03671	1.6
241.01303	1.2
242.02170	5.4
243.02950	8.0
244.03574	2.1
245.00951	0.5
245.04579	0.9
253.01355	0.5
254.02104	0.6
255.02979	5.1
259.02420	4.2
260.03232	0.9
270.01645	7.5
271.02481	38.3
272.03128	7.0
273.03998	5.2
286.98691	0.7
287.01978	17.1
288.02637	8.6
289.03275	1.6
298.01187	2.1
299.01962	30.2
300.02316	3.1
301.03522	0.9
311.07642	0.6
315.01453	2.1
316.02213	74.1
317.02930	45.1
318.03360	3.3
332.01620	0.5
343.06638	1.6
435.09387	0.9
461.07266	1.9
479.08301	100.0
480.08624	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
57.51663	0.7
59.01250	9.2
59.97235	0.8
61.98712	1.2
63.02271	2.3
65.00184	6.3
68.99667	1.4
69.40384	3.6
69.40813	2.6
71.01260	3.7
73.02841	0.9
79.38971	0.8
83.01268	4.7
85.02840	1.2
87.00767	1.2
89.02323	1.2
93.03338	6.8
95.01280	4.5
96.95901	1.0
99.00757	1.8
101.02310	2.3
101.86654	0.7
107.01277	5.1
108.02042	2.0
109.02847	2.5
109.99946	2.3
111.00764	13.5
113.02318	1.3
117.03350	4.7
119.04898	2.0
120.65767	0.8
121.02850	2.6
123.00765	4.4
123.04393	1.2
124.01544	2.8
124.98698	1.3
125.02332	6.9
130.04150	1.4
133.02809	2.1
135.00795	2.4
135.04468	0.9
136.01711	1.0
136.98712	1.5
137.02319	6.4
137.99500	1.7
139.00285	15.7
141.01820	1.4
143.04900	3.3
145.02855	7.4
147.04373	1.2
147.78667	0.9
149.02295	2.0
149.99486	1.8
151.00282	22.7
151.03889	1.2
152.00996	3.6
153.01848	1.4
153.22685	0.9
153.99016	1.3
154.99715	1.7
155.04906	2.0
157.02856	1.8
159.04463	4.6
160.04720	1.0
161.02379	2.9
163.00255	3.6
163.03917	1.1
164.01070	3.6
164.98149	1.7
165.01825	3.2
165.98938	1.6
166.99770	3.2
168.00517	1.8
169.01353	2.1
170.03731	0.8
171.04428	7.1
172.05031	0.9
173.02333	1.2
173.05943	1.2
174.03093	2.5
175.03970	1.9
177.01906	1.1
177.98969	2.6
178.98212	1.1
178.99777	18.8
179.03392	0.8
181.01320	0.8
181.02924	1.0
183.04404	1.9
185.02464	1.0
187.03908	4.6
188.04593	3.0
189.01794	3.0
189.05516	2.6
190.99838	2.1
191.05600	1.7
192.00580	4.3
193.01357	2.9
194.99319	1.2
198.03252	1.1
199.03894	7.4
201.01837	1.6
201.05522	1.1
203.03374	4.1
205.01479	1.4
206.99254	2.5
208.00189	1.8
209.00832	1.1
211.03812	1.1
213.01909	1.1
214.02695	2.5
215.03471	8.8
216.04253	6.7
217.05023	10.4
218.02153	1.1
218.05334	1.1
219.02908	1.7
226.02682	1.3
227.03476	7.9
228.04138	1.0
229.01361	1.2
229.05118	1.6
231.02913	6.5
232.03716	2.0
233.04536	1.1
241.01407	1.7
242.02176	5.4
243.02966	14.4
244.03644	2.5
245.00888	1.8
245.04442	2.4
255.02951	9.1
256.03452	1.0
259.02463	12.3
260.03116	2.3
270.01785	8.1
271.02478	58.1
272.02960	8.4
273.04114	4.9
283.02554	2.3
285.04086	3.7
287.01999	20.2
288.02548	5.6
289.03424	2.8
297.04022	1.8
299.01974	46.0
300.02341	4.6
301.03497	3.2
313.09363	1.5
315.01599	1.7
316.02237	57.6
317.02942	36.3
318.03287	2.7
353.05130	0.9
359.06247	1.6
371.06354	1.6
379.10391	10.5
435.09329	2.6
436.50931	0.9
451.08734	3.0
461.07275	3.3
462.07874	1.1
479.08316	100.0
480.08737	14.4
480.15393	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	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	0.7
70.30431	1.4
84.52055	0.5
87.95710	0.5
107.01261	1.1
123.28378	0.5
124.01530	1.9
125.02322	0.5
135.00760	0.5
136.01573	1.0
137.02362	1.8
151.00275	4.3
152.01038	0.6
155.94125	0.5
163.00272	0.9
164.00998	1.4
178.99765	6.9
214.02655	4.2
215.03305	0.6
227.03468	0.7
232.03732	0.7
242.02202	3.7
243.02834	2.3
244.03535	0.7
259.02484	4.6
260.03207	0.5
270.01685	5.8
271.02472	28.7
272.02948	2.4
287.01971	18.0
288.02594	3.3
315.01590	0.8
316.02228	100.0
317.02826	22.6
318.03476	1.7
454.47363	0.5
479.08301	74.1
480.08606	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	479.2802
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
59.01247	2.9
61.54371	0.4
63.60233	0.4
71.34298	0.7
74.75900	0.3
78.95750	0.4
92.04948	0.5
93.06968	1.4
99.04384	0.8
105.06990	0.8
126.14869	0.3
165.05418	0.6
167.84482	0.4
178.81017	0.4
188.26825	0.4
263.17990	5.2
264.18427	0.8
274.35382	0.4
316.02261	0.5
322.23154	0.4
341.22266	0.4
343.24268	1.8
356.65231	0.4
366.22037	1.2
367.22675	0.4
373.29031	8.3
374.29306	1.7
403.22733	0.5
405.24249	4.9
406.24796	0.7
417.27997	32.9
418.28247	5.8
421.24020	0.9
435.29010	15.4
436.29422	2.7
479.28009	100.0
480.28348	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	479.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51474	0.3
55.06003	0.4
55.45549	0.4
59.01251	4.4
70.73157	1.1
71.04896	0.5
74.82135	0.3
79.65997	0.4
83.04902	1.9
87.00775	0.5
93.06973	14.6
97.06487	1.1
99.04410	0.6
105.06981	0.7
105.82990	0.4
121.06428	0.6
121.10107	0.5
133.06511	0.6
135.04437	0.4
137.02409	0.4
137.05981	2.8
139.07552	0.5
151.55185	0.4
165.05522	2.7
194.57047	0.3
195.95419	0.5
209.13329	0.8
211.14926	0.6
215.87621	0.3
247.14815	0.9
263.18030	1.3
271.02182	0.9
280.85706	0.3
281.19125	0.4
305.23334	0.4
316.02130	1.6
317.02737	0.7
325.21661	7.1
326.22223	0.8
331.24197	0.8
343.23935	0.7
353.21262	0.8
365.24667	0.9
373.29065	1.9
374.29404	0.5
375.23141	2.0
379.22632	1.2
391.26273	7.7
392.26682	0.9
405.24609	0.5
417.28024	12.3
418.28149	2.3
433.27484	1.4
435.24390	32.0
435.29813	10.4
436.24734	6.2
436.30206	2.0
461.26938	1.2
479.28012	100.0
479.33276	3.8
480.28348	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77230	1.0
62.44950	0.8
70.30385	2.7
83.04906	1.5
93.34185	1.0
97.06494	1.4
98.20561	1.0
105.07001	7.9
108.29218	0.9
115.61662	1.0
118.54334	1.1
123.08054	21.2
128.08659	0.9
134.35092	1.1
139.07603	1.3
141.64914	1.0
159.62611	1.0
167.07042	2.8
173.09668	3.1
239.17984	2.1
281.19345	1.3
283.20639	3.2
299.20190	16.8
300.20609	2.8
327.19666	8.1
328.20023	0.9
333.25888	1.5
339.19559	1.3
361.25500	3.3
363.30634	1.7
373.29077	2.2
391.26315	3.2
391.30188	3.1
407.29251	1.0
417.27985	6.6
435.29031	100.0
436.29367	21.1
479.28061	47.1
480.28281	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	479.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.0
62.36473	0.5
64.13642	0.5
68.99692	5.6
69.03324	1.7
71.04886	4.2
79.05414	1.3
83.04903	2.1
87.00754	8.7
95.04944	0.8
97.06461	10.3
98.20675	1.0
111.08068	0.7
111.22731	0.6
122.24911	0.5
123.08044	0.5
133.06454	1.0
138.83665	0.6
139.07564	1.0
165.05402	0.6
253.03806	0.6
304.36188	0.5
353.21207	6.6
354.21564	1.1
356.13284	0.6
363.23306	4.7
364.23599	1.2
375.26874	1.4
379.22760	2.0
389.28378	1.8
391.30032	2.2
407.29532	1.8
417.27921	7.9
418.28333	1.5
419.25970	0.7
433.27377	10.1
434.27866	2.0
435.29022	100.0
436.29370	21.8
451.28543	1.0
461.27109	1.3
479.28009	11.6
479.34418	1.0
480.28296	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	479.2804
Annotation	Triptohypol B
Peak:m/z	Relative Intensity
52.07624	0.5
52.31073	0.5
59.01251	0.8
59.30359	0.5
63.76196	0.5
71.54446	1.0
78.95765	0.9
84.21892	0.5
86.32007	0.5
87.89230	0.6
88.20634	0.5
89.23741	0.5
107.08489	0.7
137.05956	1.5
139.07555	2.1
165.05467	1.8
191.05508	0.6
210.96611	1.0
211.13289	1.1
235.42735	0.6
241.15935	1.4
251.20248	0.6
271.02588	0.7
316.02304	1.6
321.22354	1.2
365.21255	2.3
366.70236	0.6
375.26776	1.7
379.22769	16.0
380.23053	2.2
391.30063	0.7
405.24200	0.7
417.27951	1.6
433.27768	2.5
435.29016	49.1
436.29367	10.3
479.08685	1.6
479.28024	100.0
480.28329	22.5
480.35165	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.9
59.47241	0.5
61.98705	100.0
71.01260	1.5
71.03263	1.0
74.02322	0.5
75.14417	0.5
89.02327	0.8
93.03329	0.8
98.19798	0.5
99.41602	0.5
101.02345	1.0
113.02363	0.6
144.89238	0.5
177.21027	0.4
208.78954	0.5
209.11807	1.1
365.63052	1.0
367.13654	0.5
420.26096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47411	0.4
54.79837	0.4
56.58673	0.4
59.01244	2.0
61.42431	0.3
61.98705	100.0
67.01757	0.4
69.36380	2.7
71.01258	0.8
72.35015	0.4
85.02852	0.3
87.00797	0.4
89.02325	0.7
93.03334	2.0
96.95907	1.5
98.19653	0.4
122.05987	0.5
125.02309	0.5
133.02885	0.7
135.04459	0.6
135.91911	0.3
145.02811	0.5
151.00346	0.4
152.07138	0.5
161.02382	1.7
173.04463	1.2
179.03450	0.6
191.05646	0.9
201.32742	0.4
247.32074	0.4
272.02905	0.4
317.02692	0.7
332.63037	0.4
481.16989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50479	0.3
57.03317	2.1
59.01248	6.6
60.99174	5.9
61.98699	1.2
67.01765	15.7
67.99100	0.4
68.02090	0.5
69.03323	4.3
69.83286	1.8
71.01251	6.8
72.99186	0.5
73.02820	1.6
78.95780	1.2
81.03333	3.5
83.01253	0.6
83.04906	2.5
85.02824	2.6
87.00755	22.1
89.02324	0.6
93.03337	100.0
94.03670	3.3
96.95883	1.5
97.02817	0.7
97.06461	1.3
98.20497	0.7
99.00765	2.8
99.04360	2.1
101.02317	4.5
109.02837	1.5
111.00762	0.5
111.04404	14.3
112.04765	0.8
113.02332	2.4
115.03876	0.7
119.04890	0.4
124.01523	0.4
124.75900	0.4
125.02336	1.0
129.01831	2.5
131.03397	2.8
133.02829	1.2
134.03633	18.8
135.04463	1.9
136.96616	0.3
137.02321	1.3
139.86549	0.4
143.03387	1.6
147.04483	0.4
151.03937	2.1
151.07524	0.5
152.04272	0.7
152.99500	0.6
153.04420	0.5
155.03392	3.0
155.10847	0.4
159.02962	0.3
161.02315	1.1
161.04449	0.9
165.01886	0.4
173.04472	61.1
174.04784	2.4
177.01805	1.2
178.02637	3.6
179.03458	0.7
191.05544	4.9
215.07205	0.4
231.10194	1.1
247.78622	0.3
257.08167	0.5
275.09192	1.0
289.16571	6.7
290.16687	0.4
297.49756	0.4
307.11868	3.2
319.06888	0.4
342.96027	0.4
387.47601	0.4
421.20636	1.2
431.36066	0.4
449.14569	11.4
450.14734	2.1
481.17123	36.0
481.31772	1.4
482.17499	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.3
59.01250	6.9
60.99179	5.2
61.98697	1.6
65.03831	1.1
65.69811	0.5
67.01762	15.1
69.03329	5.6
69.42513	2.4
69.42925	1.1
71.01257	8.2
72.99173	0.6
73.02814	2.2
78.95787	0.7
81.03326	3.2
82.09982	0.5
83.01257	1.6
83.04906	2.5
85.02821	2.5
87.00754	21.4
93.03337	100.0
94.03650	3.3
96.95886	2.2
97.06468	1.6
99.00772	3.3
99.04397	1.9
101.02313	3.0
107.36917	0.4
107.70966	0.5
109.02771	1.3
109.92022	0.5
111.03622	0.8
111.04404	14.9
113.02324	3.2
115.03926	1.2
125.02349	1.5
129.01859	3.0
131.03394	3.4
133.02834	1.9
134.03636	20.8
135.04340	2.2
137.02390	1.1
143.03400	1.4
150.03098	0.6
151.03915	2.9
152.04268	0.8
152.99518	1.3
153.01883	0.5
153.04404	0.5
155.03447	3.4
161.02338	1.3
173.04477	73.1
174.04810	2.7
177.01820	1.7
178.02650	4.8
179.03281	0.7
191.05525	6.0
275.09180	1.1
277.61267	0.5
289.16565	9.3
290.16861	0.9
301.18655	0.6
307.08838	0.6
307.11835	3.1
319.07132	0.6
328.36826	0.5
421.20880	0.9
449.14529	14.0
450.14792	1.7
481.17200	42.3
481.31802	2.4
482.17429	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37732	0.7
67.23410	0.8
70.13670	0.8
70.37085	0.7
71.02399	1.8
74.84122	0.7
78.95781	37.1
87.30215	0.8
96.96861	2.8
98.20257	1.0
152.99500	55.6
159.88872	0.8
162.43825	0.9
170.99060	1.0
171.00557	18.8
227.03262	4.5
245.04295	100.0
246.04630	3.1
253.21713	71.1
254.22029	6.2
254.77452	0.9
420.20364	0.8
481.25714	33.3
482.26132	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43428	0.4
57.03325	1.2
59.01229	0.5
60.99158	0.5
61.08420	0.5
63.97834	0.4
66.72968	0.4
67.05368	0.6
70.45653	1.2
89.91369	0.4
94.59381	0.4
111.04366	0.7
139.07481	0.6
263.20660	0.5
274.52591	0.5
292.07678	0.6
309.22220	0.6
319.24149	1.3
363.23309	3.1
367.22513	0.9
377.24808	4.1
378.25070	1.0
379.26413	100.0
380.21918	0.9
380.26755	17.6
393.24405	9.7
394.24521	1.9
411.25302	0.9
419.29510	5.7
420.30017	0.8
423.25449	2.6
423.30249	0.6
435.28955	7.3
436.29248	1.6
437.30453	1.2
438.30725	0.6
481.29584	42.7
482.29956	7.8
493.94656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08931	0.5
53.20464	0.6
53.51410	0.5
54.30994	0.4
55.39468	0.5
59.01243	1.4
67.65199	0.5
69.55255	3.7
85.43827	0.5
197.13335	0.9
213.77379	0.6
218.49020	0.5
221.38522	0.5
295.20792	0.6
319.24368	1.3
363.23288	5.6
375.23242	1.2
377.24811	8.0
378.25101	1.4
379.26425	60.4
380.26776	9.9
393.24380	8.9
394.24661	2.1
423.25415	100.0
424.25739	20.6
481.29202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.07
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85725	2.5
59.01262	3.9
61.31073	2.6
69.30724	21.2
101.74645	3.3
102.83204	2.8
107.01283	4.0
109.02859	5.7
127.01728	3.0
129.09091	8.1
151.00290	15.9
165.25490	3.1
178.99760	9.1
243.02925	6.5
255.03014	15.5
256.03439	3.9
271.02539	29.4
300.02747	70.3
301.03510	54.6
302.03857	3.6
367.83621	2.7
382.98193	2.9
447.09329	100.0
448.09802	16.0
492.61316	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	483.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80773	3.3
57.03326	3.3
59.01250	15.4
61.98704	17.9
69.67591	3.4
71.01265	10.2
71.54883	3.4
78.95788	8.8
79.95649	6.9
83.04929	4.7
85.02853	8.4
87.00760	3.9
87.04371	4.8
89.02328	6.3
90.95022	3.1
93.03354	12.7
95.04912	3.4
96.95887	9.7
97.06542	3.8
97.83027	3.5
99.04439	7.6
100.45054	3.3
101.02316	5.5
106.63219	3.5
111.04395	9.3
113.02323	5.5
123.04399	4.1
125.02371	10.0
135.04414	3.9
135.08061	11.5
136.27765	3.5
150.06763	9.8
151.07516	4.5
153.41783	3.4
161.02412	4.0
163.03996	4.7
163.07567	5.0
173.04485	42.2
179.10773	4.8
191.05548	8.6
209.11717	5.3
320.20062	11.4
321.20593	10.4
337.09351	10.9
423.16574	4.6
454.46304	3.8
465.32413	11.2
468.82263	3.6
483.19223	8.2
483.33798	100.0
484.33521	13.2
497.72275	3.3
505.41367	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.8
56.15262	0.8
57.03332	4.2
58.00464	1.2
59.01258	69.7
61.98717	6.2
69.03329	1.9
69.51086	4.7
71.01263	28.0
71.04875	1.0
71.39114	0.7
72.99203	1.3
73.02827	13.5
75.00754	1.0
80.51530	0.8
81.34319	0.8
82.88322	0.7
83.01263	6.6
85.02351	1.1
85.02838	17.3
87.00735	1.4
89.02310	4.8
93.03352	2.2
95.01271	2.4
96.95909	2.0
97.02830	1.1
99.00765	4.4
99.04349	0.9
101.02333	37.2
102.02634	1.2
111.00765	1.6
113.02338	15.1
114.02664	0.9
116.52294	0.9
119.03432	0.9
119.04925	9.8
125.02384	1.3
131.03407	38.5
132.03781	0.8
135.04430	1.7
137.02303	0.9
139.75327	0.9
145.02849	3.0
149.94572	0.8
151.07562	2.7
159.02905	3.1
161.02380	1.2
161.04492	10.0
163.03951	19.2
173.04527	3.8
191.05544	4.9
201.64822	0.7
277.16580	3.5
291.18173	100.0
292.18509	7.6
319.08228	2.4
335.17010	1.3
337.09433	6.9
338.09921	0.9
351.09726	0.8
413.55472	0.9
423.17014	1.5
423.22430	24.9
424.22812	2.3
454.96906	0.8
483.18961	0.9
483.33871	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	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.2
57.03323	2.5
58.25294	0.8
58.48637	0.8
59.01251	69.3
60.01582	0.9
61.40480	0.8
61.98706	3.1
67.01752	0.8
69.03324	0.9
71.01257	28.3
71.02308	1.8
71.04922	1.4
72.99168	1.8
73.02818	12.9
78.95778	0.9
79.95619	0.8
80.70625	0.8
83.01258	7.0
83.04892	1.2
85.02823	17.3
87.00744	2.9
87.04414	0.9
89.02306	3.9
93.03345	4.1
95.01270	2.7
96.95872	1.7
97.06464	1.1
98.02362	1.0
99.00745	4.8
99.04401	2.8
101.02322	33.1
108.25261	0.9
111.04365	2.0
113.02333	12.6
123.04445	1.1
123.08065	0.9
125.02352	2.6
125.06019	0.9
127.11162	0.9
131.03400	42.5
132.03732	1.3
134.03642	0.9
135.04391	3.1
135.08066	4.5
136.05150	1.6
137.02350	1.0
137.05920	0.8
138.18141	0.8
139.07494	1.6
143.03401	1.8
147.04413	2.8
151.07549	2.6
153.01863	1.2
159.02876	2.1
161.02382	1.3
161.04477	10.9
173.04514	2.2
225.11368	1.2
266.10397	1.2
284.60422	0.8
291.18143	100.0
292.18442	8.9
321.09869	3.2
329.23666	1.1
335.16870	1.2
423.22318	17.5
424.22763	2.3
447.78421	0.8
465.17847	1.3
465.27686	1.4
465.32993	1.8
483.18396	2.0
483.33844	25.6
484.33493	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53589	0.2
70.18192	0.2
78.95778	5.9
78.96219	0.4
96.96857	0.4
136.88753	0.2
152.99493	15.0
171.00568	1.0
191.93549	0.2
227.03235	2.6
237.22197	0.2
245.04274	1.3
247.22488	0.3
254.88214	0.2
255.23279	100.0
256.23618	10.8
427.26688	0.2
483.27200	23.0
484.27512	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	483.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07550	1.9
59.01249	5.1
68.79491	2.3
73.56902	2.5
87.40295	1.9
88.89793	2.1
89.39861	2.1
158.62079	2.4
280.23801	2.3
298.14636	2.7
365.24545	3.3
379.26309	9.6
380.26828	11.2
381.27182	31.8
382.27158	4.0
395.18845	2.5
395.25381	8.9
421.30359	3.8
425.26971	100.0
426.27420	16.5
439.32385	3.7
465.30142	2.7
483.30991	48.2
484.31335	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	483.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68160	3.2
56.19743	3.3
57.03332	5.3
59.01232	6.8
61.98719	5.0
66.17000	4.3
66.95778	3.0
71.20659	7.8
71.21029	5.2
77.23567	3.4
107.90702	3.7
161.33191	3.5
161.60800	3.4
179.00262	3.8
207.50191	3.5
216.65735	4.2
379.26376	14.2
381.27887	11.5
395.25937	9.6
425.26996	100.0
426.27225	16.2
459.99359	4.4
483.31128	23.4
484.31711	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	485.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87506	5.2
69.87902	4.3
73.02836	3.2
82.34064	2.5
82.83779	3.0
93.03328	12.2
98.19841	3.6
111.04483	2.4
119.04898	15.9
121.24552	2.5
122.00335	2.5
137.02388	3.7
163.03911	8.9
187.07654	3.0
189.09250	3.1
195.07959	3.1
213.09210	4.2
219.59119	2.6
240.35698	2.5
293.10394	6.7
319.08569	2.7
337.09280	100.0
338.09473	14.9
485.13034	25.7
486.13925	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	485.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
58.50589	0.7
59.01245	3.1
65.03844	1.3
69.03333	0.9
69.20312	5.6
71.01264	3.5
71.74491	0.6
72.99166	1.1
73.02828	5.2
75.00760	2.9
81.03331	0.9
82.02850	0.7
83.04904	3.5
85.02823	1.9
87.00772	0.7
89.02332	3.3
91.86088	0.6
92.74980	0.7
93.03342	20.6
94.03690	0.9
96.95908	6.1
99.00767	2.8
99.04400	1.7
101.02317	3.6
106.04124	1.3
107.04900	2.1
109.02826	4.1
111.04398	5.3
113.02364	1.3
115.96179	0.6
118.57594	0.6
119.03466	1.0
119.04922	21.3
120.05251	1.3
125.05907	1.1
127.03877	0.9
129.01880	0.9
131.03389	1.3
133.06465	1.7
135.04471	2.3
137.02330	3.9
143.03423	1.6
144.02905	1.6
145.06490	1.6
147.02898	1.3
147.04466	1.6
149.04440	2.5
155.03392	1.9
157.06447	1.2
161.05954	1.7
163.03923	11.7
165.03970	6.2
171.08116	1.3
173.04533	5.9
173.05899	1.1
173.09592	0.8
175.07524	0.8
185.06000	0.9
185.09621	1.5
187.07581	2.7
189.09114	3.3
191.05539	3.5
193.06459	2.2
195.08080	3.0
198.06689	1.0
209.06021	0.8
211.07599	2.1
213.09195	5.1
215.07094	0.9
229.08679	2.0
229.73589	0.7
257.08243	1.0
280.86993	0.7
292.71420	0.6
293.10291	11.7
294.10681	1.1
319.08347	5.0
320.08380	0.8
337.09290	100.0
338.09653	9.6
485.12769	21.8
485.18893	0.9
486.13007	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23143	0.3
56.96455	0.2
57.03321	0.4
59.01252	33.8
60.01575	0.4
71.01247	2.6
72.85310	0.3
73.02832	0.3
75.00723	0.5
83.01250	0.5
83.04890	0.4
83.92094	0.3
84.58788	0.2
84.66106	0.3
85.02843	1.3
85.52236	0.3
87.00756	0.3
89.02320	1.4
93.03328	0.7
95.01262	0.6
95.04939	0.3
96.95879	1.3
97.06505	0.3
101.02328	2.6
101.88507	0.2
107.01287	0.4
107.04891	1.0
109.02837	0.7
109.06457	0.4
111.04379	0.7
113.02327	2.9
113.05959	0.3
119.03378	1.0
119.08572	0.4
121.06446	0.6
122.03635	0.3
123.04391	0.4
123.08037	0.2
125.02349	0.4
125.05972	2.2
135.04422	0.7
135.08003	0.5
136.05208	2.5
137.09625	0.7
138.06714	0.3
139.07582	1.3
145.06482	0.4
148.05182	0.5
148.81729	0.3
149.05977	0.6
151.00307	2.3
151.03908	0.7
151.07559	1.9
152.08340	1.6
153.05495	0.6
153.09122	0.8
159.11626	0.6
161.02336	0.4
161.04506	0.6
161.09625	1.0
163.07605	0.9
170.05772	0.3
171.08040	0.5
172.19597	0.2
173.04587	0.3
176.57802	0.3
178.99812	0.5
185.09647	0.7
186.10452	0.8
189.05518	0.5
189.09158	1.2
191.05592	0.7
201.10925	0.5
201.12808	8.8
202.13123	0.5
203.10696	3.8
204.11510	16.9
205.11823	1.3
217.12270	0.4
219.13864	18.6
220.14151	1.8
227.10747	0.3
228.11488	0.4
243.13828	1.5
245.11794	3.2
263.12875	100.0
264.13226	8.8
269.11523	0.3
277.14532	0.6
285.04010	1.1
287.12894	3.3
288.13284	0.3
303.05170	0.7
305.13974	4.3
306.14224	0.6
323.13339	0.4
335.14908	0.3
425.17749	0.5
449.10675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37907	0.5
59.01243	1.1
60.66492	0.5
65.78714	0.5
70.10699	0.8
70.11062	1.9
71.01237	0.6
75.93536	0.6
83.59661	0.7
89.39859	0.7
98.20499	0.8
146.89574	0.5
202.00401	0.5
287.20148	0.9
313.21719	0.6
334.02023	0.6
350.37054	0.6
405.31583	2.4
411.32925	1.3
423.32736	72.2
424.33051	11.7
439.31955	0.8
441.33563	5.9
442.34070	1.1
449.30658	1.8
455.31705	2.8
467.31708	67.4
468.32037	12.1
485.32767	100.0
486.26065	1.0
486.33145	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	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67369	0.5
53.00001	0.5
56.86824	0.5
59.01265	0.6
71.01232	2.0
71.53748	0.8
75.44221	0.6
79.01815	0.5
94.03380	0.6
96.95890	2.3
115.20515	0.6
136.78745	0.5
150.55228	0.5
165.68788	0.5
329.76691	0.6
337.21808	1.3
439.32169	16.3
440.32596	2.5
441.33713	1.8
445.74481	0.7
467.31409	0.9
485.32672	100.0
486.33044	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.0
70.40035	0.6
70.40374	0.3
71.01256	19.2
83.07903	0.2
92.09019	0.3
98.20009	0.4
139.14806	0.2
212.15085	0.2
242.82016	0.3
339.71875	0.3
383.29596	0.5
409.27438	0.7
425.30603	0.3
427.28601	3.8
428.28806	0.5
447.67798	0.2
467.31842	0.5
485.32736	100.0
486.33109	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	485.3272
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.42928	0.2
57.03328	4.9
59.01223	0.2
71.24753	0.2
80.73059	0.2
88.04743	0.2
98.19768	0.6
101.31868	0.2
121.11230	0.2
144.13052	0.2
197.86813	0.2
277.06110	0.2
331.23087	0.2
383.29547	2.0
389.20651	0.2
423.32742	0.7
425.30707	0.4
427.28876	0.9
441.33655	0.9
442.33954	0.2
449.30527	0.3
467.31775	1.6
468.32126	0.4
485.32733	100.0
486.33099	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	485.3272
Annotation	Lucyin
Peak:m/z	Relative Intensity
59.01248	0.4
71.01261	0.4
71.33136	0.5
78.95784	0.4
81.17000	0.3
84.02269	0.3
85.82725	0.3
96.95872	0.5
104.78333	0.3
174.38107	0.3
255.23294	0.6
256.23608	0.6
257.24008	0.5
258.17380	0.3
277.28912	0.3
344.57614	0.3
381.28137	0.4
421.31253	0.4
423.32449	2.2
424.33041	0.6
432.49588	0.3
439.32162	20.1
440.32581	3.2
441.33704	3.7
442.33887	0.8
467.31656	3.7
468.31796	1.0
485.32748	100.0
486.33063	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95641	0.3
86.78798	0.3
93.82996	0.3
96.95902	2.6
109.66045	0.3
125.43392	0.3
319.83344	0.3
330.66180	0.3
343.45490	0.3
421.31274	0.9
423.32455	0.7
439.32205	28.9
440.32623	5.6
467.31625	3.4
468.32071	0.7
485.32809	100.0
486.33157	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	485.3272
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.90705	0.4
57.03299	0.6
58.16404	0.4
58.58093	0.4
59.01262	0.6
98.19783	1.1
99.04403	13.3
103.38068	0.4
106.24616	0.4
163.37239	0.4
169.81433	0.4
227.76787	0.4
363.30511	0.5
372.77628	0.4
385.27689	0.7
423.32809	4.8
424.33337	1.0
441.33780	4.7
467.32034	3.2
485.32733	100.0
486.33072	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	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77430	0.7
59.01238	0.8
61.24033	0.6
70.71281	0.8
70.71604	1.4
71.01254	3.4
78.95753	1.0
92.62549	0.5
109.28756	0.7
152.99490	1.1
255.23297	4.8
256.23605	4.6
257.23846	5.4
273.47272	0.7
389.28406	0.7
405.31693	1.6
423.32687	43.6
424.33017	9.1
441.33807	2.2
449.30493	1.4
455.31573	1.2
467.31641	100.0
468.31967	20.1
485.32767	76.0
486.33014	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46720	0.9
57.22276	0.7
59.01238	0.9
63.02275	1.6
65.00202	4.2
65.16701	0.7
65.99724	0.9
71.86256	0.8
83.01257	2.2
96.95932	1.4
100.99178	0.8
107.01273	5.8
125.02345	1.9
133.02864	2.2
142.02866	1.1
143.27332	0.8
145.02878	1.6
147.03128	2.0
151.00285	19.0
152.00693	1.3
160.03946	2.8
161.02364	3.0
161.06262	0.8
163.00301	2.5
167.03464	1.2
169.01350	2.0
170.02403	2.7
171.03149	1.3
171.04471	1.6
172.03932	0.9
174.86961	0.8
178.99808	12.3
180.00093	0.9
183.04393	1.0
187.02548	1.6
199.03976	6.0
201.01947	1.7
203.03616	1.0
211.03938	1.7
214.01334	2.1
215.03462	2.2
223.04021	1.1
226.02672	1.4
227.03459	6.3
228.03886	1.1
239.03461	1.8
241.04996	1.4
243.03024	8.9
244.44009	0.8
245.04474	1.6
250.04933	1.0
251.03624	1.5
255.02992	9.7
256.03528	3.9
257.04526	1.0
265.03802	1.6
266.04547	1.6
267.02951	4.1
269.04639	1.8
271.02502	41.2
272.03101	14.8
273.04022	5.5
282.04114	3.6
283.02429	4.4
284.03143	1.6
285.04172	1.5
289.07318	1.4
293.03098	1.0
294.04156	11.1
295.02243	6.3
296.03027	2.5
297.04019	3.3
299.01984	100.0
300.02631	21.5
301.03403	13.2
302.03860	3.0
310.03564	7.7
312.02670	2.8
313.03568	9.2
322.03580	14.3
323.04324	12.8
324.05093	13.4
339.03839	53.2
340.04568	34.9
341.04926	3.4
419.09924	8.7
446.08597	20.5
447.08823	2.8
448.09634	7.3
449.10098	1.0
450.10245	1.2
459.09460	2.1
486.10449	88.5
487.10812	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	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	5.1
59.01252	17.1
61.85070	1.4
61.98707	18.1
69.44955	1.2
70.22385	3.0
70.22772	2.6
71.01264	6.7
72.61648	1.3
72.99184	1.4
73.02827	2.0
75.00735	1.9
78.95780	24.7
80.02529	1.8
83.01230	2.1
83.04890	10.5
84.02047	1.3
85.02822	2.5
89.02274	2.2
93.03342	3.1
95.04887	2.9
96.95869	2.5
96.96841	1.9
97.06444	4.7
98.98930	2.2
101.02310	2.7
103.21946	1.2
108.22490	1.4
109.06452	1.6
111.04401	9.9
111.24609	1.4
113.02345	2.7
119.04868	2.3
125.02327	5.3
125.05992	4.8
135.04395	2.0
136.03923	1.8
138.06747	2.7
152.99480	36.7
153.09096	11.3
154.09419	1.8
156.62883	1.5
161.02335	2.2
163.11179	7.1
163.54626	1.9
165.09126	2.9
165.12717	4.1
171.00523	3.6
179.10727	1.7
191.05534	2.1
201.12738	1.3
203.10764	7.1
203.14462	7.2
209.11774	100.0
210.12103	7.5
216.90321	1.3
221.15306	4.5
227.03183	4.2
227.12866	11.6
228.13200	1.4
237.09460	6.4
245.04208	1.8
247.13196	2.4
265.14426	53.6
266.14761	6.4
289.14365	1.9
292.35651	1.3
307.15393	4.7
323.07712	2.4
341.02765	2.4
395.14658	1.7
455.16916	13.1
487.19427	64.8
487.28494	2.8
488.13019	2.1
488.19708	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03323	5.2
59.01232	0.6
70.74144	0.9
73.20680	0.3
98.01360	0.3
179.75526	0.3
181.32487	0.3
308.02032	0.3
341.97891	0.4
383.33084	0.7
385.31192	1.9
424.36630	0.3
425.34247	2.9
427.31830	0.3
443.35275	21.5
444.35614	4.2
469.33157	5.6
470.33682	1.2
487.34280	100.0
488.34641	17.5
488.41785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.8
71.01233	2.9
71.53526	1.1
73.02808	2.6
84.04408	1.5
87.00734	1.0
89.01720	0.8
89.02322	3.0
93.03347	5.5
94.03665	1.5
101.02325	1.4
102.05489	50.0
103.05780	1.0
111.04398	2.0
113.02335	1.1
114.04530	0.9
127.05000	2.6
128.02496	1.9
128.03438	36.2
129.01808	1.1
129.03796	2.0
144.34238	1.0
145.06093	20.3
146.04498	100.0
146.06226	8.3
147.02922	1.0
147.04810	3.8
147.06612	1.3
173.04483	9.8
174.04842	4.0
191.05591	3.7
218.52037	0.9
265.86191	1.0
273.93985	0.8
313.11447	1.6
314.11658	1.3
338.21625	1.1
341.10834	1.2
344.99530	0.9
346.13287	0.9
456.47510	1.0
465.95853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
61.98704	100.0
69.35242	1.7
71.01221	0.3
78.95792	0.4
101.02327	0.3
113.38744	0.2
134.69478	0.3
147.58871	0.3
152.99577	0.4
191.05527	0.4
197.07477	0.2
209.11873	1.0
210.12138	1.2
271.02444	0.2
398.22794	0.3
456.17407	0.3
488.12909	0.4
488.20151	1.1
489.10489	0.3
489.19818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1045
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.28159	0.4
57.03322	0.3
59.01253	4.9
61.98709	1.4
63.02268	0.6
65.00204	0.6
69.03349	0.4
71.02809	0.6
72.85184	0.3
83.01263	0.3
84.21352	0.3
85.02828	0.8
87.00759	0.5
89.02343	0.7
91.01764	0.4
93.03338	2.2
96.95888	0.5
101.02361	0.5
102.98487	0.5
107.01291	1.9
108.02051	0.4
109.02847	0.6
113.02360	0.6
113.14941	0.3
117.03348	0.5
119.04975	0.4
125.02377	0.7
132.02071	1.9
133.02867	0.7
135.00742	1.7
135.04404	2.4
137.02400	0.3
141.06923	0.3
143.04860	0.5
145.02844	0.4
147.21597	0.4
149.09616	0.3
151.00285	2.5
153.01793	0.5
157.06552	0.8
159.04442	1.3
161.02350	2.2
162.02698	0.4
163.00325	2.3
164.01076	0.8
165.03983	0.4
167.05000	0.6
169.06551	0.7
171.04514	0.6
172.05408	0.3
173.04582	0.5
173.06050	0.3
178.99780	0.6
179.03442	0.6
183.04442	1.0
185.02415	0.7
185.06067	1.8
187.03889	2.0
189.05473	1.1
191.05556	5.5
192.05873	0.4
195.04460	0.4
197.06021	1.1
199.03976	1.4
200.04770	0.4
201.05435	0.5
211.03960	2.9
212.04605	0.6
213.05550	1.4
227.03465	32.8
228.03822	2.8
229.05031	8.9
230.05348	1.1
239.03490	1.8
240.04298	0.7
241.05058	1.2
255.02988	68.3
256.03442	7.6
257.04547	6.4
267.02890	0.8
267.15936	1.2
271.02499	1.2
283.02576	0.7
284.03281	81.9
285.04028	100.0
286.04407	9.8
300.02679	1.7
301.03424	0.9
326.03253	0.5
327.04971	0.6
353.08820	0.4
447.09106	0.5
463.08951	1.0
464.09253	0.4
489.10367	38.9
490.10681	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	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71056	0.7
58.00452	1.1
58.20937	0.7
59.01253	21.7
71.01257	8.9
71.02182	1.3
71.02516	0.9
72.99164	1.1
73.02835	1.1
73.80763	0.7
75.00778	1.1
85.02821	1.9
87.00768	2.1
88.67973	0.8
89.02319	11.7
93.03312	1.2
94.14249	0.8
96.95888	2.5
101.02323	6.2
106.04115	1.1
107.04913	3.5
108.02042	1.4
109.02840	1.9
113.02334	4.4
117.03358	3.4
119.03447	3.5
119.04913	9.0
121.02829	2.1
123.04392	2.0
132.02098	1.2
133.01845	1.4
133.02861	24.2
133.06445	0.8
134.03592	1.5
135.04420	34.0
136.04828	1.8
137.02397	1.6
145.02870	5.5
147.04422	17.4
148.05096	1.7
149.06001	8.1
159.04408	0.8
161.02356	100.0
161.05890	3.6
162.02704	6.2
163.03972	6.6
165.05539	1.0
175.03851	1.6
177.05507	12.7
178.05891	0.8
179.03427	52.3
179.05434	2.5
180.03784	3.3
180.05377	0.8
191.05556	1.3
203.03423	4.5
203.14389	0.9
205.04993	2.5
209.11815	0.8
221.04515	17.8
222.04814	1.5
235.06207	2.6
247.13422	1.0
251.05598	16.4
252.05876	1.6
265.07114	6.1
279.09146	1.0
281.06671	28.4
282.06995	2.5
285.67126	0.7
306.07675	0.8
323.07813	1.3
327.10971	5.9
328.11041	0.8
341.08771	9.1
489.13449	8.6
489.26608	1.5
490.14307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32592	0.3
53.16876	0.3
56.16072	0.3
57.03320	0.4
57.26139	0.3
59.01251	6.7
69.45506	2.0
71.01258	4.5
72.99173	0.4
73.02819	0.8
83.01275	0.4
85.02822	1.4
85.58587	0.3
89.02305	2.4
89.53548	0.3
91.05408	0.7
95.01276	0.9
98.19752	0.5
101.02318	1.9
107.04901	0.7
109.02851	3.9
111.00770	0.9
113.02328	2.9
117.03340	1.0
119.03388	0.7
119.04910	1.2
121.02872	0.5
132.02080	1.1
133.02853	27.2
134.03688	3.3
135.04419	49.4
136.04742	2.5
137.02368	1.0
145.02907	2.2
147.04436	3.6
148.05159	1.1
149.05991	5.5
161.02354	100.0
162.02701	5.1
163.03951	0.5
165.05560	0.4
174.03094	0.4
175.03902	4.0
176.04588	0.4
177.05501	7.1
178.05801	0.4
179.03421	44.0
179.45456	0.3
180.03726	2.6
181.05006	1.7
189.05484	1.1
193.05058	0.5
203.03430	25.4
204.03766	1.4
207.06590	1.1
221.04501	6.6
222.04800	0.3
233.04509	3.7
240.13347	0.3
245.04512	0.4
251.05623	4.1
257.20166	0.3
263.05557	0.6
281.06622	7.4
282.07248	0.4
307.08301	0.8
323.07626	1.9
324.07834	0.4
341.08759	17.8
342.09109	2.1
343.10458	1.7
474.35864	0.3
489.14026	34.2
490.14331	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	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90007	0.7
58.00454	0.7
59.01248	13.4
59.28021	0.6
66.61108	0.6
71.01256	6.7
71.41734	0.7
71.83358	0.7
80.26046	0.7
85.02828	1.1
89.02322	7.6
101.02335	4.7
109.02850	1.5
110.14513	0.7
113.02333	2.5
116.92744	8.4
117.01839	1.1
119.03416	3.1
132.02080	1.7
133.02855	20.2
134.03613	2.0
135.04416	33.0
136.04752	2.1
137.02361	2.5
145.02908	2.3
147.04416	10.8
148.05226	1.7
149.02312	0.9
149.06013	5.7
161.02354	100.0
162.02678	7.4
177.05511	10.6
178.02734	0.7
179.03412	33.2
179.05463	2.2
180.03738	2.3
181.04942	1.1
189.05440	0.8
203.03383	1.3
221.04498	14.6
222.04887	1.0
246.02481	0.7
251.05577	17.2
251.88339	0.7
252.05986	2.0
281.06665	28.0
282.07034	2.4
323.07849	1.0
327.10751	5.2
341.08731	10.2
342.09171	1.0
489.14069	9.5
490.14279	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	489.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
57.81836	0.6
58.00460	0.5
59.00988	0.8
59.01258	10.7
60.85445	0.5
69.42138	3.5
69.89852	0.5
71.01260	6.1
72.99192	0.9
73.02837	0.8
83.01268	0.8
85.02837	2.5
87.00783	0.8
89.02327	3.2
95.01295	0.6
96.95904	0.8
98.72078	0.5
101.02328	2.5
107.04942	0.9
108.02055	0.8
109.02856	3.6
111.00778	1.0
113.02354	3.6
117.03349	0.6
119.03417	0.9
119.04928	1.1
121.02854	1.0
122.21206	0.5
123.04463	1.1
132.02039	0.9
133.02861	24.2
134.03697	3.1
135.04433	50.8
136.04759	2.5
137.02333	1.4
147.04446	3.3
148.05249	1.1
149.05989	4.6
151.03911	0.6
159.04370	0.8
161.02368	100.0
161.06018	1.8
162.02721	7.1
175.03925	4.3
177.05511	7.8
178.02702	0.7
179.03438	44.5
180.03798	2.4
189.05516	2.1
190.06281	0.8
191.05534	1.2
191.07115	1.2
203.03465	24.6
204.03822	2.5
207.06653	0.6
209.11795	2.2
211.13335	1.2
212.19102	0.6
221.04520	6.3
222.04904	0.7
233.04608	4.3
251.05576	4.2
267.16074	1.0
271.02518	1.7
281.06662	6.9
300.02744	1.4
300.20514	0.6
301.03552	0.8
306.07806	0.7
323.07831	2.5
327.12537	5.3
341.08804	16.6
342.09167	1.7
349.09088	0.6
489.14145	35.1
489.27261	2.0
490.14484	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90921	0.2
55.05192	0.2
55.52326	0.2
57.03303	0.2
57.60804	0.2
58.00470	0.5
59.01254	12.4
60.01608	0.2
61.98705	0.4
64.87634	0.2
65.24797	0.2
69.56406	1.2
71.01257	8.1
72.99171	0.7
73.02826	0.5
75.00758	0.3
79.95603	1.9
83.01257	0.4
85.02837	1.4
87.00729	0.3
88.71451	0.2
89.02323	7.6
92.63975	0.2
95.01284	0.7
96.95896	5.7
101.02330	4.0
105.03400	0.3
107.04922	0.4
109.02843	0.6
110.97514	0.4
113.02338	3.1
117.03391	0.3
119.03406	2.8
119.04903	0.2
121.02878	0.4
125.02306	0.3
131.03426	0.5
132.02066	1.1
132.97862	0.2
133.02855	20.7
134.03751	1.5
135.04420	33.8
136.04752	1.6
137.02351	2.0
139.03880	0.5
142.85434	0.2
143.03403	0.5
147.04434	11.1
148.05208	1.4
149.05991	6.4
150.06279	0.2
154.87366	0.2
161.02359	100.0
162.02699	5.9
165.04010	0.3
175.03958	0.5
177.05490	11.7
178.02660	0.5
178.05862	0.5
179.03429	34.3
179.05463	2.2
180.03766	2.1
189.05542	0.3
203.03493	1.1
206.65686	0.2
221.04517	15.0
222.04848	1.2
233.04527	0.5
251.05605	15.6
252.05959	1.1
281.06680	24.5
282.07071	1.9
285.04376	1.2
286.61966	0.3
311.07816	0.3
323.07666	1.0
327.10812	5.3
328.11154	0.6
329.10489	0.4
341.08783	9.0
342.09164	0.9
425.08820	0.3
439.11206	0.3
441.08527	0.2
445.14606	0.2
489.14066	9.1
490.14331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06113	0.8
57.03325	1.3
58.00468	3.3
59.01251	100.0
60.01582	1.8
61.98684	0.9
69.03323	1.9
69.41531	3.8
69.41959	2.8
71.01258	30.3
72.01566	0.9
72.99187	2.7
73.02821	27.2
74.03181	1.0
81.03314	1.1
83.01255	2.2
83.74666	0.8
85.02821	13.0
85.99966	1.7
87.00742	8.3
87.04405	2.7
89.02316	31.2
90.61735	1.0
97.02807	1.4
101.02324	60.8
102.02638	1.0
103.03199	1.5
103.03891	27.1
113.02332	4.6
115.03917	7.2
115.70521	1.1
119.03390	13.9
120.56331	0.9
125.02354	3.8
126.05210	0.8
127.03898	3.0
131.03416	11.4
135.04459	4.2
143.03416	16.7
143.04529	1.2
145.04959	7.2
161.04440	1.8
163.06035	99.6
164.06375	4.1
167.86324	0.8
173.28348	0.8
179.05518	1.7
189.73106	0.7
191.05533	3.0
200.48830	0.8
205.07114	30.3
206.07483	1.0
227.13896	0.8
258.55200	1.0
265.09323	8.5
267.16132	1.4
272.42072	0.9
295.10278	0.9
413.29861	0.9
429.17377	8.9
430.17841	1.0
489.30682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84232	0.4
59.01257	100.0
60.01591	0.8
65.55512	0.5
66.91510	0.4
67.66458	0.5
68.96107	0.5
69.77555	2.2
78.41285	0.5
91.03905	1.0
98.20430	0.9
98.38237	0.5
198.50552	0.5
205.57671	0.5
288.40161	0.5
338.67197	0.5
355.32278	2.1
362.71671	0.6
489.29767	2.4
490.30945	0.8
510.05695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62651	0.4
57.03321	0.5
59.01260	2.0
67.01741	0.5
69.03326	1.2
71.01260	1.7
71.41843	0.6
73.02803	0.6
81.03345	0.7
85.02338	0.8
85.02828	8.6
87.00748	3.2
93.03344	8.5
97.02833	2.5
109.02837	1.2
111.04407	2.4
127.03870	2.6
145.02910	0.4
152.54718	0.5
154.26883	0.4
158.03651	0.7
159.04425	1.4
159.47171	0.5
169.06448	0.8
171.03020	0.7
171.04420	1.8
173.04498	4.6
173.05882	0.8
180.05869	0.5
183.04475	0.6
185.02370	2.5
185.05971	0.6
187.03897	1.6
191.05548	100.0
192.05910	3.8
195.04448	0.9
196.05211	1.3
197.05998	0.5
198.03159	5.6
199.03957	4.6
199.07692	0.8
200.04584	0.7
201.05537	0.6
208.05246	1.5
209.06020	11.7
210.06612	0.8
211.04002	7.2
211.07574	5.6
212.04764	4.0
213.05453	2.1
214.02829	0.5
224.04813	0.7
225.05533	6.6
225.18111	0.4
226.02582	0.7
226.06114	1.0
227.03448	1.0
227.07108	4.5
229.05020	1.0
237.05643	0.7
240.04004	0.5
255.06625	18.3
256.07034	1.2
271.06137	4.2
272.06259	0.4
273.07724	7.1
274.07993	0.7
299.05618	72.4
300.05954	7.3
317.06659	18.8
317.10422	0.9
318.06964	1.6
332.55576	0.5
491.11987	38.2
492.12378	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75836	1.4
57.03322	1.4
59.01250	3.0
60.99194	1.5
65.39983	1.5
67.01762	4.8
69.03313	3.2
71.01266	1.6
71.03046	3.3
81.03332	1.6
83.04901	1.5
84.16166	1.2
85.02823	11.6
87.00747	10.3
93.03341	30.5
97.02836	2.5
109.02863	1.9
111.04397	6.0
127.03915	3.8
158.03563	2.1
159.04439	3.4
169.06496	1.9
171.04405	2.3
173.04524	8.8
173.05800	1.7
175.03815	1.5
185.02383	4.6
185.05980	2.0
187.03923	3.6
191.05551	100.0
192.05917	3.5
193.06570	3.4
195.04401	3.4
196.05124	2.8
198.03133	7.8
199.03917	6.2
199.07620	2.5
201.05605	3.6
208.05093	2.0
209.06036	26.1
210.06645	3.4
211.04048	11.9
211.07597	27.7
212.04637	9.3
212.07895	4.6
213.05408	2.6
225.05562	10.0
227.03426	2.5
227.07083	7.9
229.04811	3.0
240.04234	1.5
255.06612	24.9
271.06201	4.3
273.07693	23.6
274.07925	3.3
289.07224	2.3
299.05624	89.0
300.05933	12.5
317.06683	34.0
318.07074	1.9
445.91296	1.6
491.11978	56.1
492.12506	8.7
506.79532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14301	1.2
53.27689	1.2
55.01756	1.2
59.01251	16.1
61.98706	2.1
70.84883	2.4
70.85211	1.7
71.01254	8.6
73.02823	4.9
79.95605	17.6
85.02833	3.9
89.02321	6.0
93.03321	3.0
95.95095	6.0
96.95889	62.3
98.95505	1.6
100.95749	1.2
101.02321	5.7
107.09521	1.2
109.02831	3.6
113.02341	4.1
117.03375	2.3
119.03416	2.0
119.04909	24.7
120.05318	1.2
121.02843	100.0
122.03190	3.4
123.04423	1.4
133.06488	3.3
136.99017	1.4
137.02324	3.4
141.95721	1.1
145.02849	20.4
146.03174	1.3
147.04414	13.6
153.01846	3.0
159.04448	1.5
161.05962	10.2
163.03925	26.1
164.04370	1.7
167.00087	3.5
173.05952	1.7
177.05498	4.8
181.04970	14.9
187.03864	1.5
191.05496	2.5
191.07112	1.8
205.05035	12.2
211.07648	1.8
221.53751	1.1
223.06047	4.0
235.06090	19.7
236.06586	1.8
238.97090	1.1
241.05035	1.4
253.07214	2.0
265.07187	24.0
266.07535	2.5
283.08188	3.4
295.09766	2.2
296.10556	1.4
303.05460	1.9
311.09348	1.5
313.10681	2.9
325.09210	2.5
327.11081	1.4
331.11993	1.7
341.13638	1.6
343.11667	1.6
344.12662	9.1
359.14969	22.5
360.15350	2.7
378.13074	2.0
441.12421	7.8
443.67856	1.3
459.09970	1.6
491.13763	1.5
491.19464	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	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	17.2
61.98690	2.1
70.40925	1.2
70.41289	1.3
71.01259	9.4
73.02825	4.7
75.00763	0.7
79.95612	20.8
83.01254	1.9
85.02829	2.4
87.00739	0.9
89.02323	5.8
93.03337	2.6
95.95119	6.2
96.95898	71.6
99.00775	0.9
100.50468	0.6
101.02312	4.9
108.02066	0.7
109.02840	2.4
110.97449	1.6
113.02341	4.3
117.03377	3.1
119.03471	1.4
119.04930	23.5
120.05267	1.0
121.02854	100.0
122.03172	4.4
123.04452	0.7
124.01567	0.8
125.02386	1.5
132.05641	0.8
133.06528	4.3
135.04434	1.9
136.99026	0.9
137.02359	3.3
141.01845	0.6
141.95691	1.5
143.03477	0.6
145.02866	21.2
146.03198	0.9
147.04427	13.0
148.04776	0.9
153.01884	2.6
159.04437	1.4
161.04559	1.7
161.05974	9.5
163.03925	25.3
164.04332	1.8
165.05498	1.1
167.00099	4.4
172.05211	0.8
173.04489	1.7
173.05940	1.5
177.05473	3.6
179.05528	1.1
181.05009	14.9
187.03978	1.6
191.05519	2.7
191.07088	1.2
205.05034	10.8
206.05402	1.0
211.07724	1.4
217.29959	0.7
223.06099	5.6
235.06105	19.7
236.06448	2.1
241.05069	1.4
253.07220	3.3
255.06778	0.9
265.07172	28.4
266.07614	2.8
271.02505	0.9
281.08212	0.9
283.08267	4.4
287.05981	1.9
295.09839	1.2
296.10571	1.2
299.05829	0.7
299.09308	1.2
303.05560	2.9
313.10791	2.3
315.95654	0.7
317.06699	2.7
325.09186	5.0
327.10886	2.2
329.10571	1.7
331.11923	1.7
341.13837	0.9
343.11954	0.7
344.12549	4.6
345.13116	0.9
346.14178	0.8
359.15045	13.7
360.15384	1.3
362.13760	1.4
363.14487	1.0
369.12207	0.7
378.13330	3.2
379.13776	1.0
393.15683	1.7
397.09805	1.0
426.09634	1.4
427.10611	1.7
441.12469	9.4
442.12729	1.9
443.10254	1.0
457.11789	1.6
459.09909	2.0
471.17487	0.8
473.14291	2.0
491.11823	4.5
491.19769	8.3
492.13181	1.0
492.19565	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	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03329	0.5
58.00463	0.7
59.01253	11.0
69.03328	0.2
71.01254	9.0
71.54915	0.2
72.99200	1.1
73.02818	2.1
75.00748	0.3
83.01265	1.6
85.02821	3.7
85.32954	0.1
85.99958	0.6
87.00753	1.3
87.77362	0.1
89.02312	2.7
93.03346	0.5
95.01263	0.7
96.95878	0.5
99.00785	0.9
101.02328	5.3
103.00233	0.2
107.01244	0.2
109.02828	1.1
111.00742	0.6
113.02331	2.3
119.03401	0.7
121.02850	7.3
121.34921	0.2
122.03638	0.3
125.02344	0.2
131.04892	0.2
135.04399	0.5
137.02353	0.2
140.38828	0.2
143.04916	0.2
145.02879	0.2
147.04416	0.8
148.05179	0.2
151.00221	0.3
159.04436	2.8
159.21419	0.2
160.05077	0.3
161.04428	0.2
161.05949	0.2
174.03207	0.2
178.99828	0.3
181.04938	0.5
196.05350	0.2
209.05978	0.3
209.09589	0.2
210.06883	0.2
211.03934	0.2
211.07559	0.2
212.04663	0.6
225.05522	0.3
225.09103	0.3
226.06180	0.3
227.07111	0.4
228.03705	0.2
235.07596	0.3
237.05508	0.4
237.09119	0.3
238.06213	0.2
239.03313	0.2
239.07104	0.2
240.04187	1.8
241.04834	0.2
251.07088	0.5
253.05028	0.3
253.08752	1.1
254.05801	1.1
254.08876	0.2
255.02863	0.4
255.06575	2.9
256.03497	0.2
256.07346	0.5
257.08044	0.2
263.07111	1.0
264.07715	0.2
265.08832	0.3
267.06631	0.3
268.07376	4.1
269.08173	6.4
270.08850	2.8
271.02530	0.4
271.09576	1.1
279.06696	0.2
280.07651	0.2
281.08188	12.8
282.08743	2.6
283.09760	6.0
284.10239	0.6
285.03583	0.4
285.10941	0.3
286.04434	0.5
296.10437	1.5
297.11304	1.4
299.09244	5.7
299.12662	0.3
300.02621	0.3
300.09946	2.4
301.10553	0.6
302.07974	1.0
307.70346	0.2
311.09402	0.2
311.12842	0.3
313.10858	0.5
314.11606	8.7
315.12311	5.7
316.12701	0.6
327.03308	0.6
328.09467	0.6
329.13937	11.3
330.14301	1.3
342.11017	0.3
343.11835	3.6
344.03665	0.3
344.12238	0.2
356.12582	0.6
357.13412	1.2
358.13760	0.2
366.14407	0.2
461.14502	2.9
462.14966	0.5
473.17804	0.1
475.16013	0.2
476.16898	8.5
477.17300	1.1
491.19226	100.0
492.19598	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29324	0.6
55.01770	1.3
57.03340	1.9
58.00478	0.8
59.01260	17.6
61.98721	0.9
69.40309	4.3
71.01263	15.5
72.99187	1.4
73.02823	3.8
78.18090	0.6
78.94289	0.6
79.95614	4.7
83.01286	2.0
85.02840	6.1
87.00774	1.4
89.02328	8.0
91.01830	0.7
93.03332	0.9
93.50053	0.7
95.95126	1.7
96.95283	1.1
96.95901	16.2
96.96503	0.9
99.00817	0.9
101.02359	2.1
108.02091	1.8
109.02853	18.9
110.97501	0.6
113.02341	1.4
119.04944	2.7
121.02859	9.6
123.04428	3.8
124.01525	0.9
125.02382	1.4
135.04568	0.9
137.02356	1.3
144.05731	0.7
145.02919	1.9
147.04454	1.4
153.01888	0.7
158.03700	0.9
159.04460	9.5
161.06012	1.3
163.03986	2.7
167.00124	0.8
171.04524	1.2
172.05232	4.8
173.06012	6.6
177.05531	1.0
181.05067	1.1
185.06041	1.7
187.07582	5.2
189.05531	6.9
190.06262	1.7
191.05525	1.4
191.07112	2.9
203.07115	2.7
205.05040	1.1
205.08701	1.7
225.05614	0.7
235.06177	1.3
240.04289	1.9
241.05042	10.3
242.05528	1.3
255.06680	7.0
265.07315	2.2
267.06668	2.3
268.07520	1.0
269.08258	1.9
280.07425	2.2
281.05548	0.7
281.08063	4.4
283.09918	1.3
293.08261	1.0
295.09790	9.1
296.10391	3.3
297.11508	0.9
298.08603	0.9
299.09268	7.0
300.09424	0.9
311.09271	1.9
311.12683	1.0
312.09952	0.7
313.10837	14.3
314.11414	1.2
326.11588	4.7
327.12305	1.9
329.10364	4.7
341.13956	3.7
342.14484	0.8
343.11826	3.0
344.12680	39.0
345.12994	6.0
359.15036	100.0
360.15387	13.2
378.13303	1.0
401.17590	0.7
431.23639	0.8
441.12213	1.7
476.16708	1.5
491.19278	69.9
492.19632	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	493.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30502	0.4
52.94337	0.4
59.01254	100.0
60.01590	0.9
61.98706	1.2
71.01254	4.0
72.99192	0.5
73.02828	1.3
83.01278	0.6
85.02844	1.6
89.02334	1.8
96.95939	1.0
97.06452	0.5
99.00774	0.6
101.02351	2.4
113.02358	1.7
119.03400	0.5
120.99599	0.6
125.02421	0.5
135.04431	0.6
149.04576	0.5
161.04533	0.7
191.05577	0.8
197.39618	0.4
199.13371	0.9
203.32784	0.4
331.12476	0.5
361.18863	1.7
433.24728	1.8
493.22937	11.8
493.29620	0.7
494.23682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.4
55.08839	1.2
56.59827	1.1
59.01241	4.5
61.98706	1.9
71.54190	1.2
74.26008	1.3
78.95765	1.9
83.04895	3.8
87.00758	2.5
93.06978	4.0
97.02821	1.4
97.06470	1.6
121.06466	7.2
135.08011	2.1
139.07507	6.9
171.10176	3.0
173.06030	1.6
195.08049	1.5
197.09682	2.3
209.11813	7.4
215.14313	2.6
225.12862	2.9
235.11220	2.7
237.12883	3.0
239.14589	2.3
251.14482	3.2
253.16055	8.1
255.13774	1.9
261.12857	4.9
267.14221	1.7
269.15451	1.7
271.17139	1.6
277.15991	3.1
279.13968	1.9
295.16968	3.4
295.23038	1.7
296.22931	4.1
302.07892	1.4
331.20770	1.8
345.22528	1.6
347.23807	2.4
357.22107	10.1
361.25302	3.7
369.25665	1.9
371.23801	4.7
372.24649	2.6
375.23309	1.8
387.26895	26.9
388.27118	4.1
393.24289	6.2
401.21411	2.3
405.24109	5.9
405.28821	10.7
406.28799	3.3
413.25235	1.6
415.23026	4.4
417.20886	1.8
419.21609	1.5
421.27188	2.1
431.25912	65.7
432.26263	12.7
433.23746	5.2
445.20218	2.6
449.27005	64.2
450.27350	14.9
475.24860	18.5
476.25223	1.8
493.25983	100.0
494.26294	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20829	1.0
59.01255	2.3
59.47240	1.0
67.18694	1.1
70.66827	2.6
71.04881	2.1
79.45898	1.2
79.49060	1.0
83.01298	0.9
83.04893	1.4
83.29328	1.1
98.20090	2.1
110.32735	1.0
117.08031	1.0
118.21707	1.0
121.06451	4.2
124.01508	1.8
125.33140	1.1
139.07541	2.7
148.71739	1.0
152.04724	3.5
154.60829	1.0
158.53209	1.1
160.08638	1.3
197.09705	1.4
209.09563	2.5
211.11337	2.3
211.13214	2.4
213.12782	2.4
221.09671	1.6
237.12781	5.1
242.34093	1.1
249.12636	1.3
277.16071	3.5
317.19077	4.8
347.23792	43.7
348.24341	6.0
357.21909	2.4
377.21219	1.3
381.24454	1.8
387.27060	1.8
391.22858	15.0
392.23239	2.1
405.24048	2.7
407.25928	4.9
408.26337	1.8
431.25824	18.1
432.26416	3.3
449.27048	20.2
450.27420	3.1
475.25766	2.1
493.25980	100.0
494.26340	19.7
506.56815	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	493.2601
Annotation	Artesieversin
Peak:m/z	Relative Intensity
59.01263	5.5
62.71054	0.8
68.99675	4.3
69.03334	5.0
80.02534	1.4
81.03349	1.0
83.04881	4.4
87.00770	10.5
89.67123	1.0
93.03329	2.4
95.04325	1.4
95.04916	22.5
97.06458	1.8
107.04887	3.2
109.06454	3.2
111.00752	1.3
118.64338	0.9
119.04937	2.1
121.06492	1.2
122.03617	3.8
123.08028	1.4
125.09608	3.4
135.08028	1.6
137.06000	100.0
138.06305	4.4
139.07495	1.2
149.09694	1.2
163.11108	2.0
165.01849	1.8
165.05458	1.6
165.12764	2.5
171.08769	1.9
171.10197	31.6
172.10498	1.7
197.09535	1.2
209.11783	60.5
210.12053	3.6
221.11943	1.1
221.15169	1.1
227.12856	2.3
229.12355	1.6
231.13789	1.6
247.13408	13.2
249.14890	1.6
265.14453	3.9
315.19684	2.6
321.17050	2.2
339.19440	3.7
343.19138	5.9
344.19263	1.2
353.21231	36.1
354.21432	3.8
367.19177	9.0
375.21136	1.1
375.25546	2.4
377.21140	2.0
393.24243	2.7
401.23386	2.3
405.20529	11.7
406.20755	2.2
419.24835	2.5
421.27585	8.0
422.27325	1.3
431.25552	3.2
435.21622	3.4
447.25247	4.0
449.27005	30.5
450.27219	6.1
463.24576	3.5
465.26523	11.8
466.26535	2.9
475.27087	10.0
476.27927	1.3
493.26016	65.8
494.26337	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	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.8
61.98701	3.4
69.18935	5.2
69.19357	3.4
71.01252	8.4
72.99181	2.8
73.02814	2.9
75.00748	100.0
83.01291	2.0
85.02832	3.0
87.00757	1.4
89.02321	6.1
95.23134	1.0
96.95901	3.8
98.19823	2.0
101.02328	6.0
109.06406	1.2
113.02338	3.5
114.99336	0.9
115.86131	0.9
119.03428	2.0
123.04440	1.3
125.02335	1.6
145.02827	1.4
149.04388	1.7
161.04486	2.7
275.20544	1.4
331.25024	4.4
424.41785	1.1
433.24557	2.9
447.38058	1.2
493.30197	21.2
494.30554	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	493.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26934	0.4
54.31506	0.5
59.01282	0.5
68.02254	0.5
71.04922	0.6
71.25331	0.8
83.01281	3.2
94.38040	0.4
109.05788	0.4
111.04413	0.7
131.08617	1.2
139.07550	1.1
150.72081	0.4
165.73883	0.6
235.15218	0.5
237.16542	0.5
263.18036	1.9
279.23309	1.2
305.22797	1.0
343.24326	1.5
347.23981	2.8
357.26022	0.7
359.16141	0.5
373.29062	2.5
374.29385	0.5
415.26410	0.8
417.28040	80.7
418.28418	13.5
431.25604	1.1
443.25708	0.7
449.26944	2.0
449.32593	1.0
461.27026	100.0
462.27365	18.9
493.29822	13.4
494.30127	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32848	0.6
57.03308	2.3
59.01253	17.1
60.68377	0.7
61.98703	1.7
65.02507	0.7
69.34262	1.7
69.34668	3.9
71.01256	13.7
72.99171	0.9
73.02805	2.8
78.05465	0.7
78.95782	1.1
83.01254	2.3
85.02814	4.8
85.06470	1.4
87.00764	1.3
89.02320	6.0
95.01286	0.9
96.95878	1.7
99.00755	0.8
101.02321	9.4
113.02335	3.4
119.03404	2.1
122.03618	0.9
123.04393	2.3
125.02321	1.1
125.09678	0.8
125.23019	0.8
127.11179	2.1
135.04378	2.1
136.05203	2.7
143.10695	1.3
145.02744	1.0
148.05191	0.8
149.05974	0.8
155.10649	0.8
161.04474	1.4
162.06799	0.8
163.07545	1.6
165.05461	0.9
165.61159	0.7
171.10155	3.5
177.75626	0.8
209.15379	3.0
227.16429	0.9
277.21704	0.9
313.23865	10.6
314.24167	1.5
329.23386	1.6
331.08304	1.2
331.18774	1.6
331.24921	25.0
332.25195	2.8
431.31876	1.3
449.32877	13.7
450.33218	2.2
475.30917	0.8
493.30264	100.0
494.30478	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09495	0.3
58.78661	0.3
59.01257	0.9
61.91431	0.3
61.98704	100.0
64.45171	0.3
71.01244	0.6
85.02859	0.4
93.03339	0.4
93.87475	0.3
101.02334	0.4
119.04910	0.4
133.02858	0.6
135.04437	1.8
145.02835	0.4
147.04384	0.5
161.02339	2.0
161.06062	0.3
173.04555	0.3
179.03459	1.6
191.05573	2.1
226.23633	0.3
227.03468	5.3
227.06937	1.5
228.03886	0.4
255.02963	7.5
255.05478	0.5
256.03580	1.1
257.04556	0.4
284.03256	9.1
285.04044	9.8
286.04483	0.7
348.78159	0.3
353.09003	0.8
431.09818	20.1
432.10065	3.0
493.23151	0.4
494.23544	0.3
507.40030	0.4
519.43610	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	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
50.32054	0.8
57.00023	0.8
59.01242	3.4
63.02257	2.2
65.00198	7.9
65.40524	0.9
66.91069	1.0
67.01748	1.2
68.99671	2.2
70.02681	2.2
70.03072	2.0
71.01231	3.3
72.99168	1.3
74.52592	0.9
79.01731	1.7
83.01239	3.6
85.02798	1.2
87.00700	1.1
89.02277	0.9
93.03314	1.5
94.00425	0.9
95.01272	7.2
96.95879	1.3
96.99198	1.4
99.00729	1.6
105.03300	1.1
106.00471	4.0
107.01289	6.9
108.02039	4.2
109.02844	13.8
109.99952	2.0
111.00768	9.9
113.02288	1.0
117.03279	1.7
120.99214	2.1
121.02834	2.3
123.00776	10.7
124.01498	4.1
124.98675	2.4
125.02348	5.6
131.04935	1.3
133.02837	3.7
133.99992	1.4
135.00731	2.8
136.98672	2.4
137.02321	2.8
137.99446	1.1
139.00269	12.7
139.03896	1.4
140.00998	1.4
141.01810	2.8
143.04878	3.1
145.02817	2.6
146.03622	1.7
147.04382	2.6
148.01520	3.4
148.98721	2.0
149.02359	4.6
149.99509	7.5
150.99142	1.3
151.00288	21.9
152.01064	7.8
153.01845	8.3
153.98981	1.6
154.99704	2.6
157.02837	1.3
159.04443	5.7
161.02370	5.7
161.05930	1.0
162.03079	1.0
163.00259	4.5
163.03871	2.1
164.01015	2.7
164.98154	3.7
165.01797	3.7
165.98953	2.5
166.99762	6.7
168.00574	4.8
169.01288	2.8
169.02715	1.1
171.04381	4.0
173.02315	2.9
174.03117	2.6
175.02753	0.9
175.03947	11.1
176.01018	2.0
177.01805	3.4
177.98994	10.6
178.99779	39.5
179.03287	1.2
180.00275	2.9
181.01300	2.3
181.98402	1.5
185.02272	2.2
187.03926	11.0
188.04430	1.5
189.01834	7.5
189.05504	1.4
190.02548	2.5
190.99699	1.7
191.03365	4.0
192.00505	2.9
193.01274	4.0
194.99278	4.2
195.99622	1.2
197.00754	1.1
198.03127	1.3
199.03970	7.0
201.01846	3.8
202.02608	1.9
203.03447	12.0
204.04010	2.3
204.97653	3.1
205.01350	2.5
205.04967	1.3
205.98399	2.0
206.02083	3.0
206.99208	3.6
207.02876	2.4
207.99957	1.3
209.00778	3.8
213.01781	2.9
214.02638	2.4
215.03424	10.4
216.03871	2.0
217.01250	3.9
217.04890	1.9
218.02083	1.7
219.02972	5.0
222.98732	2.8
227.03439	3.3
229.01355	4.8
230.02075	2.1
231.02982	9.8
232.00047	1.2
232.03722	14.7
233.00758	2.7
233.04500	10.3
235.02194	1.0
241.01358	2.6
242.02045	3.5
243.02977	15.0
244.03377	1.6
245.00800	3.5
245.04480	2.9
246.01448	2.1
247.02280	3.3
248.02907	1.3
249.03975	1.5
253.01410	1.4
257.00851	2.6
257.77728	0.9
258.01608	3.2
259.02466	10.8
260.03131	4.0
261.00262	2.2
261.03830	4.0
269.00806	3.5
270.01581	2.0
271.02490	25.5
272.02856	2.7
275.01843	1.6
286.01166	6.7
287.01974	47.0
288.02621	12.0
289.03421	6.1
290.03857	1.0
297.00394	4.7
298.00793	1.1
299.01959	8.0
300.02484	2.1
301.03436	1.0
303.01523	4.9
304.02130	1.7
305.02844	3.0
314.00616	3.5
315.01459	100.0
316.01822	10.3
317.02814	1.6
331.00919	6.2
332.01685	19.5
333.02454	13.5
334.02637	1.1
343.06769	2.1
355.06494	4.1
359.06097	5.5
360.06726	1.4
395.05234	1.0
395.09830	14.2
423.09238	1.8
451.08350	4.7
462.08182	1.5
467.08145	2.1
477.06531	8.6
495.07623	71.4
496.08011	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	495.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72266	2.9
59.01246	10.2
65.00201	14.3
67.01741	3.2
68.99690	4.1
71.01246	6.2
79.01742	3.0
83.01265	9.9
87.00748	3.1
87.79954	2.8
91.43858	3.2
93.03349	8.4
95.01250	17.1
96.95903	9.5
96.99193	3.4
98.19769	8.6
99.00752	18.6
99.99824	2.9
107.01266	12.0
109.02866	33.4
109.99979	7.5
111.00764	20.9
115.05350	3.6
119.01297	3.2
119.04920	4.9
120.99572	24.9
121.02856	11.6
123.00778	23.8
124.01537	2.6
124.98682	3.6
125.02341	17.1
127.00269	9.2
130.12346	3.5
131.04906	3.9
133.02853	10.9
135.00806	5.7
136.98683	6.5
137.02362	17.8
137.99556	3.8
139.00272	45.0
139.03876	3.1
141.01871	4.0
143.04930	6.5
145.02875	8.0
147.04402	9.0
148.01631	7.6
149.02322	14.1
149.99512	3.3
150.06300	3.2
151.00285	55.5
151.03964	3.9
152.01102	6.9
153.01830	10.3
154.99782	52.5
156.00189	2.7
159.04460	14.6
161.02357	13.9
163.00345	15.1
163.03952	5.0
164.00978	4.7
164.98203	14.2
165.01822	12.3
165.98967	8.0
166.99788	44.5
167.03368	4.9
168.00485	4.7
169.01315	10.3
171.04489	6.9
173.02348	6.2
174.03142	5.6
175.00342	5.3
175.03900	9.6
177.01874	20.8
178.99806	39.4
179.03427	3.3
180.00429	4.5
181.01350	22.3
181.98479	4.6
182.01933	3.0
184.00020	18.8
185.02365	7.4
187.03972	18.6
189.01888	13.8
189.05385	3.0
190.02603	6.8
190.99855	6.1
191.03445	7.6
192.00566	10.3
193.01372	18.7
194.99310	25.3
195.02962	4.1
197.00722	3.6
199.03841	6.3
201.01892	12.0
202.02623	5.9
203.03458	23.3
205.01268	13.7
205.05138	3.6
206.99422	4.4
207.02997	4.0
208.00082	5.2
209.00850	5.2
211.99597	4.7
213.01880	10.2
214.02614	5.9
215.03500	18.6
217.01396	10.1
218.02098	5.2
219.02890	11.1
220.03537	2.9
221.00969	4.2
227.03278	3.1
229.01389	9.3
230.02057	7.6
231.02977	28.9
232.03748	3.8
233.00847	8.0
233.04506	11.5
234.01517	3.9
235.02486	3.7
241.01387	9.1
242.02106	3.9
243.03015	31.1
245.01004	3.9
245.04565	3.5
247.02405	8.6
248.03058	4.3
249.03940	9.7
255.02928	3.2
257.00961	4.8
258.01715	9.6
259.02481	54.1
260.02802	5.2
261.00372	5.7
261.04022	14.2
262.00974	4.8
263.01883	4.2
269.00974	12.4
271.02466	9.6
273.04074	4.5
274.01144	9.2
275.01965	24.4
276.02655	5.8
277.03549	15.1
285.00369	8.2
285.03644	2.8
286.01178	4.3
287.01996	100.0
288.02420	11.1
300.02734	9.3
301.03546	13.5
302.00699	5.2
303.01392	26.7
304.02039	9.5
305.03091	22.0
312.99899	9.1
315.01511	33.4
316.02002	3.8
327.07181	8.1
330.00342	4.6
331.00986	60.7
331.04773	5.5
332.01410	7.2
339.07239	15.7
341.08710	5.4
348.00769	5.1
349.01871	14.9
353.05188	4.0
355.06729	8.6
359.06244	48.5
360.06494	5.6
421.07852	12.4
423.09119	5.0
447.09326	6.9
449.07162	4.3
451.08847	10.3
462.08426	3.8
477.06070	14.8
495.07263	48.9
496.07932	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	495.0782
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
50.17456	0.6
54.30718	0.6
57.03345	0.7
59.01253	4.0
63.02264	1.4
65.00199	3.2
67.01784	0.6
71.01272	1.8
71.54160	0.7
72.99195	0.7
76.86562	0.5
81.03339	0.9
89.02332	1.8
95.01250	3.1
96.95866	0.8
96.99168	1.3
101.02341	1.2
107.01258	3.3
108.02118	0.7
109.02854	1.4
109.99982	11.7
111.00785	7.6
115.05442	0.8
123.00768	4.3
124.01562	3.7
124.98706	1.4
125.02338	12.8
125.05990	0.8
125.99506	0.5
128.32077	0.5
131.04904	0.7
135.00780	1.8
136.98735	2.9
137.02348	2.3
137.98589	0.5
137.99477	3.3
138.03123	0.9
139.00279	15.8
140.01015	2.4
143.04964	2.1
145.02890	1.1
147.04390	1.1
148.01541	0.8
149.02338	1.5
149.99496	0.6
151.00281	12.9
152.01071	6.7
153.01805	1.7
155.03429	0.6
158.03595	0.5
159.04422	2.7
161.02339	2.4
162.03093	1.3
163.00308	3.4
163.03906	0.8
164.01059	3.2
164.98189	1.3
165.01849	2.6
165.98997	13.3
166.99789	7.7
169.01350	2.0
169.02773	0.8
171.04433	1.9
173.02312	1.2
173.99918	0.5
174.03108	2.0
175.03906	2.9
176.01019	1.1
176.04498	0.7
177.01910	2.9
178.99789	12.8
180.00414	1.9
181.01387	1.0
185.02451	0.9
186.03123	1.1
187.03951	5.7
188.04417	0.7
189.01892	4.3
190.02618	1.7
190.99854	0.9
191.03461	1.3
191.05467	1.1
192.00555	2.0
193.01344	1.8
193.98528	1.0
194.99284	2.2
197.02493	1.0
199.03992	2.0
201.01758	2.7
202.02620	2.5
203.03416	9.5
204.03966	1.1
205.01353	3.2
206.02121	1.2
206.99310	1.8
207.02946	0.6
208.00037	0.8
213.01849	2.2
214.02660	2.1
215.03391	7.0
216.03882	1.0
217.01343	2.6
217.04968	1.0
218.02087	1.9
219.02917	5.2
220.03601	1.0
221.00909	1.4
225.01950	0.6
226.02637	0.6
227.03462	0.7
229.01344	3.0
230.02122	3.8
231.02977	7.2
232.03587	2.7
233.00877	1.1
234.01643	1.0
241.01376	2.4
242.02136	2.3
243.02962	9.3
244.03241	1.2
245.00873	2.2
246.01823	1.1
246.05016	0.6
247.02473	2.7
248.03197	1.0
253.07210	2.4
257.00861	1.3
258.01672	5.5
259.02463	10.8
260.03104	2.3
261.00516	1.0
261.04095	0.9
269.00931	2.2
271.02466	6.8
272.02859	0.9
275.02036	2.4
276.02625	0.7
285.00555	0.7
286.01236	6.2
287.01984	43.7
288.02527	8.9
289.03470	2.6
295.08325	1.0
297.00360	1.7
303.01553	6.7
304.02271	5.1
305.02643	1.4
314.00586	1.6
315.01468	53.1
316.01819	6.5
317.02936	1.1
331.00922	2.0
332.01727	97.8
333.02386	26.7
334.02802	2.3
343.06873	2.2
359.04550	0.5
383.06326	0.7
415.12482	2.8
435.26086	1.5
451.08932	2.0
477.07028	3.5
478.07184	0.8
495.07791	100.0
496.08139	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	495.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	5.3
59.01255	8.8
67.08937	0.3
69.57423	1.8
71.01254	5.6
73.02822	1.5
76.53399	0.3
76.60677	0.3
81.03333	2.2
82.24429	0.3
83.01266	3.1
83.04897	2.4
85.02828	3.1
89.02328	8.1
93.79269	0.4
95.01292	0.4
96.95901	3.2
99.00755	2.4
101.02337	3.9
107.04883	0.5
112.35966	0.4
113.02350	1.1
119.03416	0.8
121.02842	0.3
121.10137	0.5
123.08031	2.1
125.02346	100.0
125.05972	12.9
126.02668	3.4
126.06306	0.5
131.03374	1.9
135.04414	0.5
148.12186	0.3
149.02367	0.6
149.04474	5.1
149.05894	0.7
157.20726	0.5
161.02449	0.4
165.09102	0.5
167.03282	0.4
167.07080	1.5
171.05727	0.3
183.10234	0.6
185.08328	0.4
189.01768	0.4
191.05528	2.1
191.07141	1.0
217.05045	0.9
235.06088	6.8
235.08388	0.6
241.00322	1.0
251.07687	0.5
253.07173	30.1
254.07503	1.8
262.80762	0.4
273.04510	0.5
295.08389	0.7
315.01437	0.4
323.90604	0.3
333.02875	1.5
340.10269	0.4
408.07193	0.4
413.91245	0.3
415.12491	25.3
416.12836	2.4
435.26096	0.7
495.08209	22.5
495.20786	2.3
496.08224	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	495.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
58.00459	1.2
59.01252	24.6
61.98706	5.5
71.01257	14.3
71.01661	0.8
71.54814	0.4
72.99176	1.6
73.02801	1.2
80.04939	1.1
83.01264	0.9
85.02819	3.5
87.00742	1.2
89.02318	12.7
93.03330	0.7
95.01250	1.4
96.95889	1.3
97.02850	0.4
99.00765	1.2
101.02334	8.4
108.04439	10.0
109.02836	0.6
113.02345	4.8
119.03384	4.0
119.04845	0.5
120.99525	5.6
121.02813	0.7
121.05235	1.0
122.06020	1.0
123.00686	0.4
125.02328	1.2
126.02583	0.5
131.03371	1.3
135.04398	0.8
136.07587	14.7
137.07918	0.6
138.05508	1.3
138.55353	0.4
141.09132	3.4
143.03458	0.5
145.02841	2.4
147.03163	1.2
147.04379	0.6
149.04436	1.9
151.00281	1.4
157.37021	0.5
161.02335	0.6
162.04401	0.6
162.05528	5.6
163.03986	0.7
166.04970	1.1
173.04448	0.9
178.99774	0.6
179.03502	0.5
191.05565	2.0
196.06247	0.5
197.07071	0.6
198.07864	1.2
202.12263	0.7
210.07861	0.5
212.09380	0.9
213.06593	1.7
216.06458	0.6
227.08209	0.8
227.11841	1.2
228.08786	0.8
229.09683	2.0
230.08177	0.5
238.07417	1.5
241.06114	0.9
242.06917	1.9
243.02864	0.4
243.11377	2.0
246.11340	0.5
252.08813	0.5
253.09866	3.6
254.10310	0.9
255.07695	0.8
255.11377	0.8
256.08514	1.8
270.10034	1.9
271.10876	100.0
272.11218	10.1
287.02051	0.6
299.01938	0.5
301.03482	0.8
315.01431	1.3
331.01031	0.6
333.02444	0.6
341.09003	0.4
395.76550	0.5
408.16653	0.7
433.16052	1.2
435.18045	0.5
451.17123	1.7
495.08862	0.9
495.16275	4.7
495.22723	2.1
495.31131	0.9
496.16162	0.9
496.22913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
58.00469	0.6
58.30223	0.5
58.34603	0.4
59.01260	16.8
61.98699	1.5
69.03326	1.0
71.00895	0.7
71.01262	11.4
71.20943	0.5
72.99181	1.8
73.02826	10.9
74.03159	0.5
75.00749	0.5
78.95786	1.5
81.03315	0.6
83.01260	1.5
85.02830	6.6
85.99981	0.9
87.00760	5.4
87.04409	2.8
89.02322	5.4
89.59667	0.4
96.95915	1.2
97.02834	0.9
99.00758	0.7
101.02329	9.3
103.03916	2.4
106.21790	0.4
112.03891	0.4
113.02327	2.7
115.01985	0.4
115.03929	3.4
119.03410	1.5
123.04473	0.6
125.02315	1.3
131.03418	7.9
137.06001	0.7
139.11217	0.6
141.12772	22.1
142.13072	1.0
143.03418	8.3
145.04942	1.4
149.04459	1.1
152.99493	1.6
155.14290	0.5
161.04489	0.5
163.06038	2.7
165.05507	0.6
169.10899	0.4
169.12241	2.6
171.13791	1.0
183.13818	1.6
187.13348	38.8
188.13640	2.0
191.05504	1.0
205.07149	7.2
303.18213	0.7
336.33304	0.5
369.27411	0.5
435.22342	1.5
462.92969	0.5
495.24484	100.0
496.24826	16.0
510.97571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49072	2.0
59.01234	1.7
60.04282	1.5
60.04602	1.6
69.29962	5.1
69.30381	9.3
83.04890	6.1
87.00742	30.1
87.55332	1.7
135.69414	1.8
153.61250	1.7
159.23796	1.7
168.58745	1.6
217.84898	1.8
361.28781	1.9
367.22568	3.4
375.23456	3.5
379.26443	5.8
405.27991	45.4
406.28363	7.1
407.25870	35.6
408.26343	5.0
419.25861	3.9
423.29123	11.7
433.27417	46.2
434.28046	8.6
451.28445	5.1
477.26483	4.7
495.27493	100.0
496.27887	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	495.2758
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
61.70647	2.3
67.51309	2.7
69.03299	3.6
70.67194	5.9
78.95780	5.0
83.04896	3.7
83.63601	2.9
97.02837	10.7
97.06474	4.3
97.26283	2.4
98.20514	2.7
100.43964	2.6
105.06995	10.0
109.06484	4.5
111.04415	16.7
123.08054	20.5
137.06032	2.6
145.10411	2.3
152.99521	6.0
153.05443	4.2
165.01784	3.2
209.11728	3.7
211.13359	9.0
315.19647	8.2
322.24136	3.2
343.19141	5.9
389.28201	2.9
393.24271	24.3
397.14761	2.9
407.25595	4.4
407.30270	4.1
433.27542	9.8
437.23074	3.7
451.28595	80.0
452.28903	15.0
477.26611	2.9
495.27643	100.0
496.27866	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	495.2752
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
59.01262	5.9
59.59500	1.2
61.98685	1.2
68.99683	3.5
69.03317	1.2
69.36533	7.8
71.01232	1.3
73.83205	1.1
77.09401	1.2
78.72862	1.0
83.04903	2.1
87.00751	7.3
97.06476	2.8
98.19796	2.2
111.04363	1.7
112.77931	1.1
137.06000	7.7
139.07571	4.3
147.08012	1.4
154.52924	1.2
165.01843	1.1
165.05476	3.5
177.09100	1.6
181.06599	1.2
197.09543	1.7
211.13356	1.6
257.48331	1.0
263.14389	1.4
265.16101	1.2
277.16031	1.8
279.17612	3.2
321.15018	5.1
351.19577	11.2
352.20041	1.8
356.19742	1.5
359.23840	3.2
371.27625	2.3
389.20929	1.8
389.28745	5.9
403.22787	1.5
405.27798	5.6
407.29877	2.3
415.26459	4.3
431.25845	5.4
433.27444	100.0
434.27841	20.3
447.25388	3.5
449.26761	4.3
451.28485	14.2
452.29025	3.1
477.26456	30.4
478.26758	5.7
495.27237	14.7
495.33319	2.8
496.27588	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	495.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32130	2.2
52.34950	2.2
52.81384	2.4
59.62075	2.5
60.66173	2.6
61.98700	4.6
64.49043	2.3
72.15850	2.4
79.18442	2.4
83.04886	8.5
87.00754	35.1
98.19739	5.4
107.04941	2.7
135.90553	2.7
139.07544	3.3
294.90140	2.4
353.48566	2.5
358.33194	2.3
367.22757	3.1
379.26233	6.6
405.27942	45.4
406.28372	8.2
407.25925	37.9
419.26166	3.9
423.28922	10.3
433.27478	46.2
434.27948	10.0
451.28479	13.7
451.34021	4.9
477.26291	3.4
495.27527	100.0
496.27933	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	496.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09520	2.1
57.70909	1.9
59.01241	15.5
60.01605	2.1
61.98707	19.9
69.84593	1.9
71.01254	7.7
71.54661	2.8
75.62653	2.2
79.37329	2.1
79.95605	5.9
83.01269	2.3
89.02312	8.3
96.95898	32.3
97.91264	2.3
101.02314	6.5
109.02830	3.1
113.02338	3.7
119.03383	4.3
119.04882	2.2
125.02338	2.6
135.04407	3.2
151.00255	11.6
161.02280	3.0
161.04488	2.6
163.00246	2.6
163.03857	2.5
167.00079	3.5
178.99846	3.6
179.05510	3.9
191.05446	6.9
227.03447	4.8
243.02966	8.0
255.02965	19.7
270.48718	2.3
271.02487	50.1
272.02945	4.9
273.20679	2.5
300.02753	94.0
301.03510	53.2
302.03909	2.2
335.11249	2.8
398.22668	2.2
407.09265	2.4
433.07764	100.0
434.07895	12.7
435.26004	7.1
436.26434	4.5
496.12753	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	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03328	0.8
57.53593	0.4
58.00473	1.3
59.01257	30.3
61.98418	0.8
61.98711	7.4
66.33224	0.4
69.03295	0.6
71.01259	21.9
72.01604	0.7
72.99197	1.2
73.02846	2.8
81.03337	1.2
83.01289	1.1
85.02840	3.3
87.00774	1.4
89.02325	28.6
96.95933	2.3
97.02841	1.3
97.06432	0.6
99.00773	2.0
99.04425	0.5
101.02332	9.6
113.02350	4.2
119.03374	1.4
125.02351	12.7
126.02678	0.5
128.03354	0.5
129.01834	0.9
131.03409	15.0
132.03690	0.5
133.02858	0.5
135.04449	0.9
136.05194	0.6
143.03423	1.4
143.04492	0.7
143.10693	100.0
144.11031	4.9
145.95659	0.5
149.04482	12.3
149.99641	0.4
161.04500	0.5
165.09134	0.6
179.03433	0.7
191.05556	7.6
191.07147	0.7
209.11824	0.7
245.07993	0.7
266.44278	0.5
271.02420	0.7
275.07724	0.6
293.08804	12.8
294.09207	1.2
300.02643	1.0
306.07742	0.6
317.15860	0.6
351.16330	0.5
436.63889	0.5
437.20383	5.6
438.20847	0.6
441.85446	0.5
442.89029	0.6
467.30066	1.0
479.30237	1.0
497.16840	1.4
497.31418	4.6
498.31665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79587	0.8
57.03315	1.2
58.00462	2.4
59.01252	69.8
60.01590	1.0
61.98707	9.4
69.03325	1.3
71.01254	58.6
72.01593	1.3
72.99185	3.1
73.02819	18.4
78.95771	3.0
83.01254	1.3
85.02826	25.9
87.00795	1.4
89.02320	100.0
89.25368	0.9
90.02660	1.8
93.03351	2.8
96.95911	2.2
97.02792	1.1
99.00758	35.0
101.02322	43.3
108.02034	1.0
112.18578	1.0
113.02340	8.1
119.03397	2.7
119.04917	1.8
119.14400	0.8
125.02332	6.7
131.03394	34.3
133.02856	1.5
134.03638	1.1
135.04434	5.9
142.56175	1.0
143.03461	1.2
149.04463	83.8
150.04855	1.3
151.00288	1.5
161.02354	10.4
161.04491	3.5
163.03996	1.0
173.04428	1.3
173.08080	3.0
178.99812	1.6
179.03439	3.1
184.26421	1.1
185.11763	10.2
186.12094	1.1
191.05542	32.9
221.06583	5.4
234.07967	0.9
238.63681	0.9
251.07713	8.3
256.03455	1.0
271.02399	1.1
272.02884	2.7
273.36826	0.9
275.09518	1.3
293.08817	2.1
300.02856	1.4
301.03275	3.8
302.04022	1.8
311.06747	0.9
311.09921	4.0
335.07742	1.5
335.11343	7.6
419.15286	1.2
434.08206	3.5
437.19379	1.0
497.16873	2.4
497.22510	33.2
498.22983	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	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03321	2.7
59.01253	67.9
60.01575	1.3
61.98704	2.3
71.01255	30.2
71.54192	1.6
72.99196	1.5
73.02828	11.7
78.95773	3.4
83.01239	6.1
85.02823	17.0
85.99973	1.2
87.00765	1.6
89.02316	3.1
95.01291	1.8
99.00793	5.2
101.02328	34.8
113.02330	13.7
125.02328	4.5
131.03397	38.3
132.03833	1.3
143.03404	1.6
152.99454	5.6
159.02907	2.5
161.04471	11.5
190.20572	1.0
205.61525	1.2
213.14812	1.2
215.85854	1.2
305.19699	100.0
306.20050	10.2
316.14990	1.1
329.87711	1.2
335.14960	2.9
349.18503	1.7
437.23871	13.7
438.24161	1.5
479.29971	2.3
497.25153	1.6
497.31729	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	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.1
57.03319	5.8
59.01252	100.0
61.98712	13.1
69.60396	14.8
69.91122	2.4
71.01254	38.6
72.99155	2.7
73.02842	13.6
78.95791	9.7
81.03380	3.8
83.01266	10.4
85.02822	26.4
85.49467	2.4
87.00720	3.0
89.02290	6.5
95.01298	2.7
96.15899	2.7
96.95893	7.1
97.02814	3.6
97.06475	3.3
99.00740	7.2
101.02330	40.8
111.04424	3.4
113.02325	17.1
121.06458	2.8
125.02343	4.5
125.05953	2.8
131.03415	40.2
135.08012	3.9
143.03452	3.3
151.07559	4.9
152.99525	15.6
158.77991	2.8
159.02925	3.7
161.04437	15.8
167.06984	2.7
191.05492	3.0
305.19711	97.6
306.20001	12.4
335.15002	17.6
437.23993	23.2
438.23981	2.9
467.32626	3.0
479.30112	8.5
497.31665	22.1
498.31894	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	497.291
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
56.13992	0.4
57.03334	0.6
59.01252	0.7
63.16132	0.4
71.34213	0.8
78.08801	0.5
90.77027	0.4
103.88809	0.4
107.08574	0.4
107.45164	0.4
128.08894	0.4
132.37440	0.4
139.07428	0.5
329.17569	1.0
343.19028	0.7
344.19913	100.0
345.20270	12.4
357.17068	1.5
358.17868	5.6
359.18332	0.8
376.18817	4.5
377.20441	0.5
377.24838	14.1
377.59445	0.5
378.25259	2.9
393.24368	1.1
395.25906	9.7
396.26181	1.6
417.28043	1.8
418.28320	0.5
431.26312	0.5
433.27460	2.5
435.29074	3.6
436.29266	0.7
439.25055	0.7
453.30109	16.5
454.30551	3.5
477.26428	1.7
479.28030	8.8
480.28308	1.4
497.29111	29.0
498.29553	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	497.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11359	0.8
52.83363	0.9
57.03311	4.3
60.64776	0.9
61.56380	1.0
63.67669	1.0
66.77887	0.9
71.02170	1.9
71.04875	1.1
80.02543	1.8
81.03333	46.8
82.03662	1.2
83.04889	1.1
87.59675	0.9
93.03316	1.0
99.04407	1.4
111.11180	0.9
139.07574	1.7
152.31564	0.9
215.14360	2.2
223.14890	1.3
229.13516	1.0
238.97725	1.1
293.19171	2.3
320.21326	1.6
333.25821	3.3
335.23810	6.2
336.24289	1.8
341.21140	1.0
353.21198	6.5
365.25262	1.2
377.24854	97.6
378.25211	15.3
379.22766	4.1
393.24432	2.2
395.25900	100.0
396.26193	16.0
409.23804	2.7
417.28012	1.9
435.28976	9.3
436.29471	1.9
439.24835	4.0
453.29959	2.0
497.29077	38.9
497.36325	2.2
498.29465	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	497.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	10.5
59.01255	1.5
61.98687	0.8
70.73305	1.4
71.04865	0.6
81.03315	2.6
93.03316	1.0
99.04369	1.0
123.08088	0.6
133.06456	0.6
138.93156	0.5
151.07558	4.1
257.94180	0.6
266.16837	0.7
269.21268	1.8
273.21030	0.8
281.19135	1.0
325.18167	0.9
327.19669	1.7
335.23917	2.0
337.21631	3.0
338.22125	0.8
353.21109	1.5
353.24988	1.3
379.22791	1.6
395.25916	100.0
396.26221	18.3
435.34705	0.7
439.24908	27.3
440.25385	5.1
497.28900	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	497.2918
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
52.81353	0.5
54.61702	0.5
58.11896	0.6
59.01237	1.1
71.01268	0.7
71.04895	0.7
71.54148	0.6
72.99174	0.8
78.95792	0.8
83.04917	2.0
87.00735	0.6
93.03348	1.7
106.11008	0.6
107.04907	0.7
109.06487	30.5
110.04941	0.5
110.06857	1.4
111.04392	0.6
111.08054	0.6
129.37476	0.5
138.06728	0.6
139.07556	1.3
154.06256	1.1
163.11266	0.7
169.93027	0.6
175.11179	0.7
175.83276	0.6
193.33864	0.5
217.71193	0.6
281.18887	0.8
283.20703	4.3
325.21725	2.6
327.19788	3.8
341.21280	1.0
343.22806	33.2
344.23151	5.8
353.20996	0.8
367.22644	1.2
369.24332	0.8
379.02548	0.7
391.26053	1.3
391.30460	1.3
394.98825	0.7
397.24097	1.8
399.21667	0.7
407.29630	5.5
408.30118	1.1
409.27524	38.2
410.27951	6.7
417.27997	2.8
418.28070	0.7
423.29047	1.0
425.30774	5.8
426.30991	1.1
435.29077	39.5
436.29407	7.5
449.27417	0.8
453.30182	14.0
454.30643	2.1
469.29370	3.1
479.28149	5.2
480.28595	1.3
497.29141	100.0
498.29486	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.291
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.01265	0.5
60.99177	2.6
61.26152	0.3
69.40405	0.3
70.92334	0.5
74.03589	0.2
83.04887	0.7
87.26438	0.3
93.06966	0.9
97.06494	0.3
99.04403	1.4
109.06486	0.7
111.08057	1.0
112.08338	0.3
137.69733	0.3
138.06737	0.7
139.07550	2.0
143.63380	0.3
151.07533	0.5
225.12773	0.6
251.14415	0.3
263.18048	0.3
322.23102	0.5
329.21191	1.5
333.25815	0.3
335.23880	0.5
351.23312	0.9
361.25192	0.8
366.21948	2.3
367.22385	0.6
373.29102	1.7
374.29343	0.4
375.26685	0.6
377.24692	0.3
379.22586	1.7
380.22928	0.3
391.25815	0.4
391.30112	1.1
399.02426	0.3
405.24338	7.5
406.24579	1.6
407.29013	0.4
417.27988	5.5
418.28387	1.2
419.25961	1.0
420.26416	1.2
421.27356	0.3
433.27863	0.7
435.29025	18.9
436.29291	3.4
453.30222	0.4
479.27850	2.3
480.28677	0.4
497.29083	100.0
498.29443	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	497.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
61.98711	1.7
71.01269	1.0
71.53774	1.0
80.02535	0.7
81.03353	1.7
97.05322	0.8
117.70875	0.9
139.07536	1.1
148.12099	0.8
200.95334	0.9
212.87408	0.7
213.12860	1.7
216.13049	0.9
223.14896	1.3
303.21158	1.8
333.25922	2.3
335.23877	2.5
341.21112	1.4
351.26944	1.3
374.61224	0.7
377.24847	22.2
378.25146	2.2
379.22717	3.7
393.24435	2.3
395.25946	100.0
396.26291	18.5
399.84314	0.9
421.23862	1.8
422.54883	1.0
439.24915	20.1
440.25427	4.4
497.29059	2.6
498.29407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2907
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.01245	1.8
68.08150	0.7
69.03310	1.1
71.54165	1.1
73.02834	1.1
78.95782	1.1
79.54319	0.9
80.02527	1.1
95.04906	1.4
95.62577	0.8
111.08038	0.9
121.06495	0.9
133.20927	0.8
137.08589	1.0
137.09621	15.1
164.08336	1.0
168.92117	0.8
177.09166	0.9
365.32065	1.8
367.22894	2.0
371.74246	0.9
377.24762	2.0
395.26428	1.0
407.29379	1.9
409.31363	2.9
410.31635	1.1
411.28848	1.2
425.30576	3.6
435.29001	4.6
453.30099	14.6
454.30246	2.8
479.27878	2.5
497.29092	100.0
498.29440	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	499.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86600	0.5
54.72648	0.6
56.65238	0.5
57.34718	0.7
59.01251	1.4
61.98705	13.3
63.58381	0.7
67.01751	1.0
69.43678	2.4
69.44100	1.9
71.01247	1.3
71.28015	0.6
74.33774	0.6
81.03352	0.8
83.04900	1.1
85.02829	6.8
87.00755	1.8
93.03342	8.9
101.52136	0.6
107.04925	0.8
109.02811	1.1
111.04414	3.1
117.03320	1.2
119.04919	20.4
120.05241	0.8
127.03908	1.8
133.02820	2.7
134.03624	2.5
135.04416	36.9
136.04732	1.9
136.49634	0.6
137.02298	0.8
145.02821	1.9
155.03424	2.0
161.02342	6.6
162.19270	0.6
163.03918	38.9
164.04195	1.1
164.31718	0.7
166.89163	0.6
173.04475	19.2
174.04848	0.7
179.03419	31.4
180.03751	1.4
191.05542	100.0
192.05841	4.3
202.35828	0.7
279.85464	0.6
319.08276	0.9
337.09256	36.0
338.09567	3.6
353.08774	37.4
354.09222	3.1
390.15143	0.7
457.46512	0.7
508.94354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01259	1.2
61.98695	0.4
63.24798	0.4
66.54137	0.5
67.01756	1.3
68.66586	0.4
69.03354	0.5
69.86631	0.4
71.01258	1.1
71.25622	0.8
73.02814	0.7
81.03349	0.7
83.04913	0.7
85.02825	3.4
87.00752	1.9
93.03339	11.7
96.95876	0.8
99.04401	0.9
102.64888	0.4
106.48010	0.4
107.04899	0.7
111.04399	3.7
113.02318	0.5
117.03359	1.1
119.04919	26.6
120.05261	1.4
127.03904	1.5
129.46394	0.4
133.02888	2.1
134.03629	1.9
135.04419	35.8
136.04756	1.4
137.02295	0.7
145.02818	2.0
155.03380	2.9
157.25079	0.4
161.02351	6.9
163.03923	62.3
164.04243	3.3
173.04469	11.9
174.04880	0.5
179.03423	35.6
180.03766	1.7
191.05545	100.0
192.05899	4.8
200.42809	0.4
251.59953	0.4
274.71600	0.5
289.87051	0.5
290.50839	0.4
315.34607	0.4
319.08191	0.9
335.07559	1.0
337.09290	29.4
338.09592	3.4
338.67136	0.5
353.08771	29.3
354.09097	3.0
391.53546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3069
Annotation	Kuguacin G
Peak:m/z	Relative Intensity
59.01244	8.4
60.04032	2.0
71.53571	2.3
82.75311	2.0
97.27851	2.1
119.73671	2.0
164.04192	2.3
290.22626	2.2
367.22632	3.2
379.26450	100.0
380.26816	17.5
393.24448	4.4
397.27448	25.3
398.27780	2.3
423.25500	19.3
437.30881	2.7
439.24924	4.3
441.21008	1.3
441.26474	39.6
442.26819	6.6
481.29706	3.4
499.31116	25.1
500.30945	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	499.3068
Annotation	Saponaceolide G
Peak:m/z	Relative Intensity
57.03312	3.4
59.01253	2.5
71.54461	2.2
73.40328	1.6
87.03212	1.6
98.11409	1.6
101.14106	1.6
109.06461	2.8
111.04382	4.7
111.22443	1.9
115.40784	1.9
118.33253	1.6
153.47942	1.5
225.14847	2.6
262.79828	1.6
327.23236	2.2
369.24307	100.0
370.24652	13.6
423.29007	3.0
453.29840	2.6
455.31610	8.0
499.30649	59.2
499.37946	3.7
500.30896	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	499.3072
Annotation	Tomoeone B
Peak:m/z	Relative Intensity
59.01228	1.4
72.99189	63.6
201.38707	1.4
279.61908	1.4
363.23099	2.5
371.20593	1.3
379.26379	5.1
391.85114	1.3
395.25900	5.3
401.34280	1.3
413.64151	1.4
423.25418	27.5
424.26044	6.3
437.27017	2.3
441.26501	98.4
442.26776	20.5
455.31461	1.9
481.29169	1.6
499.30725	100.0
500.31125	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
59.97330	0.3
60.01593	1.1
66.51813	0.4
69.03320	0.4
71.01259	11.1
73.02829	13.2
83.01260	4.4
83.01633	0.4
83.15749	0.4
84.11115	0.4
85.02843	1.6
85.09737	0.5
89.02328	3.0
95.01315	0.5
101.02334	13.3
109.69030	0.4
113.02335	6.0
119.03390	1.9
125.02375	0.8
131.03419	1.4
143.03445	1.2
149.04453	1.9
156.84447	0.5
161.04462	3.7
163.06435	0.4
203.05685	0.5
221.06683	0.7
223.03362	0.4
288.01620	0.4
381.22797	0.9
399.24075	3.0
399.28577	0.6
400.24570	0.5
501.32260	9.2
502.32819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
59.92559	0.4
60.01590	1.3
61.98729	0.5
69.37514	3.3
71.01260	7.5
73.02827	2.1
83.01258	1.1
85.02826	3.2
89.02338	2.5
98.20175	2.1
99.00767	0.8
101.02341	5.7
113.02325	3.0
119.03412	1.0
122.20238	0.5
142.82904	0.5
161.04434	2.9
176.07883	0.5
179.05531	0.6
376.67239	0.6
381.22803	3.1
399.23886	14.6
400.24344	1.7
441.25015	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	501.3226
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01252	13.6
59.57999	0.9
61.98713	1.1
70.88674	1.0
71.01263	1.0
71.53864	1.1
73.36578	0.9
93.24982	1.0
118.24740	0.8
122.85623	1.1
135.08102	1.1
151.13498	1.0
163.94426	0.9
200.72993	0.9
385.62802	1.1
388.51321	0.9
421.31238	1.9
423.29129	1.4
439.32162	27.2
440.26993	1.3
440.32599	4.9
483.31213	22.0
484.31656	4.2
501.32315	100.0
502.32611	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3223
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
52.80793	0.3
57.03326	1.4
70.69280	0.8
72.99174	0.9
76.72590	0.3
87.00742	0.6
88.06126	0.3
117.16859	0.3
117.41904	0.3
143.18344	0.3
147.74168	0.3
148.28467	0.3
191.05679	0.3
212.82271	0.3
269.18753	0.3
292.81360	0.4
353.28629	1.8
354.28970	0.5
368.76245	0.4
397.27454	11.6
398.27744	1.8
425.26764	0.4
455.31625	0.9
455.62134	0.3
483.30972	0.7
501.32202	100.0
502.32529	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3224
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03319	3.0
59.01252	1.3
71.01257	15.9
72.51975	0.5
89.32716	0.6
111.04418	0.8
210.42130	0.5
252.92189	0.6
399.28992	0.7
443.27954	2.3
501.32214	100.0
502.32565	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	502.2943
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
56.09888	0.1
59.01255	1.1
65.40179	0.1
69.50607	0.2
69.51012	0.4
71.01260	0.4
78.95777	24.6
83.04894	0.2
95.04903	0.1
96.96848	0.4
97.13582	0.1
98.19704	0.1
122.98416	0.2
127.07528	0.2
134.98399	0.2
152.99490	3.2
156.09096	0.1
165.01627	0.1
168.04230	4.0
168.05672	0.2
171.00536	0.2
194.05833	0.2
205.19440	0.1
224.06886	11.3
225.07204	0.6
231.21178	0.1
233.22746	0.3
239.31383	0.1
242.07979	3.1
243.08333	0.1
245.04218	0.3
259.20639	0.4
261.35779	0.1
275.20087	0.5
277.21716	100.0
278.22061	10.7
413.20819	0.1
490.07281	0.1
502.29404	23.7
503.29663	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	503.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00564	0.6
59.01254	15.9
63.46610	0.6
71.01254	10.7
72.99146	1.3
73.02830	1.5
83.01267	1.0
85.02824	2.0
85.18107	0.6
86.00272	0.7
89.02327	8.5
89.03791	0.7
101.02334	3.9
108.02082	0.8
113.02306	4.4
117.03332	3.2
119.03394	2.2
119.04835	1.1
121.02848	1.1
132.02097	5.2
133.02850	9.1
134.03635	53.1
135.04491	7.3
136.01558	2.3
137.02335	2.9
143.03445	0.9
147.04427	30.7
147.05598	1.5
148.05254	7.4
149.05986	12.1
149.07152	0.9
151.03903	2.6
153.05461	1.0
158.03638	3.7
158.55515	0.7
159.04381	0.9
160.01572	31.4
161.02264	2.9
161.04454	0.8
162.03098	0.7
162.06787	0.9
163.03943	2.0
163.07549	1.5
164.04710	1.4
172.96808	0.7
173.06000	5.8
174.03136	2.4
175.03925	48.1
176.04713	31.5
177.01831	7.2
177.05339	2.5
178.02620	9.7
179.03281	1.3
179.05489	2.4
190.72255	0.8
191.07077	42.2
192.04227	4.0
192.07411	2.5
193.04993	68.8
194.05310	4.3
202.02718	0.9
207.06564	19.1
217.05020	3.5
220.03697	7.6
221.04474	0.7
235.06085	100.0
236.06403	6.9
247.06071	1.4
251.05717	1.0
265.07181	36.3
266.07440	2.8
281.06665	1.0
295.08218	42.3
296.08670	4.3
327.10986	4.0
355.10349	6.2
359.79623	0.8
503.15558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03378	0.7
55.73016	0.8
59.01255	18.5
65.00212	0.8
70.64353	0.8
71.01259	15.4
71.53588	0.8
72.99181	1.3
73.02829	1.7
81.03338	5.1
83.01276	2.1
85.02829	4.2
87.00730	2.0
89.02320	10.5
90.49201	0.7
95.01267	1.2
97.02841	0.9
99.00782	1.2
99.04437	1.8
99.08053	1.3
101.02331	5.8
101.06029	0.8
102.74290	0.7
104.48698	0.7
108.43714	0.7
109.02855	0.7
109.39264	0.7
113.02333	8.1
117.03350	2.1
119.03394	3.0
122.03609	2.5
123.07996	1.0
125.02375	9.4
125.06013	4.0
131.03432	1.8
132.02097	1.7
133.02892	5.1
134.03650	25.4
135.04520	3.7
136.01566	1.2
137.02350	1.0
139.03954	1.0
143.03429	1.1
147.04437	16.3
148.05168	3.1
149.02356	2.4
149.05981	6.5
151.00298	1.3
151.03949	1.1
158.03680	1.5
160.00249	0.9
160.01579	18.7
161.02258	2.0
161.04478	2.8
163.04007	1.7
165.09135	37.6
166.09485	3.3
173.05997	2.6
174.03142	1.3
175.03934	25.1
176.04730	17.2
177.01897	4.1
177.05203	1.4
178.02628	4.6
179.03270	1.0
179.05516	4.4
179.07021	1.4
189.05437	0.8
191.05626	1.0
191.07069	20.0
192.04214	3.1
192.07397	1.3
193.05002	37.6
194.05298	1.9
202.02592	0.9
205.08679	1.0
207.06596	10.8
209.08151	100.0
210.08507	7.4
215.07242	0.8
217.05077	1.7
220.03668	3.2
221.06447	0.9
221.08290	1.2
223.09766	2.3
233.08167	18.8
234.08507	1.3
235.06102	52.2
236.06442	2.5
251.09244	6.5
264.59171	0.8
265.07193	18.5
266.07446	1.2
273.20700	1.7
275.09360	1.2
281.06625	0.8
295.08252	23.0
296.08557	2.0
303.17093	0.7
308.13416	0.7
315.21945	1.6
323.09494	0.7
326.11731	1.3
327.10928	2.4
341.13708	1.9
355.10385	3.0
371.20694	2.4
415.34341	0.9
459.33292	3.1
503.17703	45.4
503.33328	2.3
504.17990	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	503.1617
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
55.01756	1.8
57.03316	3.0
58.00463	4.2
59.01250	100.0
65.66644	1.2
69.03319	2.0
71.01250	89.7
72.01568	2.2
72.99177	5.1
73.02813	9.7
75.00734	1.6
83.01257	3.9
85.02824	17.2
87.00751	24.2
89.02314	93.2
90.02641	2.3
95.01271	5.5
95.12200	1.2
97.02816	3.2
97.27362	1.2
98.46384	1.2
99.00766	2.8
101.02316	60.5
107.03372	1.9
111.04375	1.5
113.02329	35.7
116.59806	1.1
119.03389	18.8
125.02319	4.5
131.03421	5.9
141.01891	2.2
143.03394	10.6
143.38722	1.1
149.04454	3.6
158.72795	1.2
161.04442	22.0
179.05531	99.0
180.05853	3.1
187.17743	1.1
189.03918	1.3
191.05545	24.4
192.05862	1.7
221.06609	56.2
221.08783	2.7
222.06999	4.1
263.07724	1.9
281.08932	4.1
323.09796	7.0
341.10889	5.3
357.10605	1.2
503.16229	51.9
504.16556	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	503.1774
Annotation	Tinosinen
Peak:m/z	Relative Intensity
57.03321	1.3
58.00473	0.4
59.01250	7.0
61.63943	0.4
65.00196	0.6
70.76376	0.3
70.87801	0.7
71.01257	6.7
72.60062	0.3
73.02821	1.2
75.07607	0.3
75.15076	0.3
81.03329	5.6
82.78938	0.4
83.01271	1.7
85.02829	2.0
87.00771	1.0
89.02319	4.9
93.03374	0.4
95.01294	0.6
95.04925	0.5
96.95897	0.7
97.02849	0.5
99.00765	0.9
99.08046	1.1
101.02309	3.3
109.02872	0.6
113.02315	2.5
117.03403	0.6
119.03400	1.3
119.70594	0.3
121.02842	0.7
121.06445	0.3
122.03640	1.7
123.04435	0.5
123.08037	2.4
124.01552	0.3
125.02348	9.1
125.05986	4.5
127.07545	0.3
131.01237	0.4
131.03386	0.6
132.02075	1.4
133.02873	2.2
134.03642	13.5
135.04469	1.9
136.01596	0.4
137.02406	0.6
139.03931	0.4
139.76241	0.4
141.09167	0.7
141.60191	0.3
143.03371	0.4
147.04428	7.6
148.05176	1.3
149.02399	1.7
149.05983	3.5
151.00293	1.3
151.03886	0.5
153.05466	0.5
158.03650	0.9
160.01588	8.6
161.02283	1.1
161.04475	0.7
163.03914	0.6
165.09134	35.9
166.02618	0.4
166.09456	1.9
167.03462	0.4
173.06004	1.2
174.03166	0.5
175.00441	0.7
175.03932	11.8
176.04706	8.0
177.01852	2.1
177.05374	0.8
178.02696	2.3
179.03285	0.9
179.05530	2.0
179.06982	0.7
183.94946	0.3
184.31479	0.4
191.05612	0.5
191.07076	10.3
192.04265	0.8
192.07423	1.2
193.05003	18.6
193.08701	0.8
194.05370	1.0
202.06236	0.6
205.08669	1.1
207.06598	4.0
208.07135	0.5
209.08150	100.0
210.08485	7.5
215.07149	0.7
217.05029	0.7
220.03691	1.3
221.06424	0.5
221.08298	0.6
223.09769	2.2
228.75845	0.4
233.05771	0.6
233.08176	18.9
234.08574	1.7
235.06093	25.7
236.06415	1.5
243.19533	0.4
251.09245	6.7
252.41870	0.3
259.06107	0.3
263.09195	0.5
265.07175	8.6
266.07483	0.5
273.20682	0.5
275.09204	2.2
281.06708	0.6
283.09763	0.5
295.08224	9.7
296.08636	1.1
311.09317	0.9
315.21722	0.5
326.11447	2.9
327.11008	1.2
341.13959	6.6
342.14255	1.3
355.10324	1.7
415.34482	0.6
459.33371	1.9
503.17722	47.2
504.17947	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
55.15632	0.9
57.03315	1.1
58.35199	0.9
59.01253	100.0
60.01577	1.9
61.98709	1.0
69.03321	0.8
70.75095	2.1
71.01254	29.1
72.99187	1.2
73.02820	6.5
75.00737	1.4
75.16875	0.9
83.01276	3.0
85.02825	10.3
87.00745	2.8
89.02317	13.6
89.81041	0.9
95.01245	2.8
96.95909	1.6
99.00739	3.0
99.04379	0.9
101.02322	21.0
101.05956	2.1
113.02331	11.1
119.03380	4.9
125.02312	1.5
129.01831	1.0
131.03435	5.5
134.03632	3.1
143.03415	1.6
149.04550	1.4
149.05908	1.1
157.07037	0.9
161.04483	9.6
179.05531	7.4
191.05537	2.0
191.07036	1.2
193.04929	2.7
217.05035	1.1
221.06599	1.3
235.05887	1.3
240.31364	1.1
255.19778	1.5
297.20709	1.1
341.13940	1.3
341.20010	1.4
371.20694	14.0
372.21292	1.4
399.23849	8.1
400.24615	1.0
417.24918	13.6
418.25272	2.8
460.26047	0.9
485.28241	1.0
503.16479	2.3
503.25171	2.9
503.32431	1.6
504.24966	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.8
57.03310	1.4
59.01252	100.0
71.01254	23.1
71.34507	1.7
72.99175	1.3
73.02807	6.7
80.66473	1.3
83.01257	3.5
83.33529	1.2
85.02815	9.7
89.02319	10.5
95.01274	1.8
96.95882	1.5
99.00752	3.1
101.02333	16.7
113.02340	10.3
119.03387	3.2
131.03391	4.6
134.03598	1.5
143.03423	2.5
145.02751	1.6
161.04465	8.1
179.05519	3.7
179.07080	1.5
179.33826	1.2
191.05559	2.0
193.05002	2.5
210.92215	1.3
221.06561	2.9
234.43613	1.3
276.41623	1.3
371.20648	11.3
372.20828	1.6
399.23688	6.5
400.24515	1.3
417.24884	11.4
418.25040	2.3
503.16913	1.6
503.24899	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	503.3376
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
59.01227	1.6
62.28470	0.6
71.01258	2.6
71.20415	1.5
73.02825	18.2
73.10363	0.6
78.95784	8.1
81.89674	0.6
94.72954	0.7
96.96854	1.2
98.20209	0.9
100.27834	0.7
101.02342	0.6
119.59778	0.7
124.50694	0.7
152.99498	9.2
171.00533	3.7
179.05630	1.1
224.06822	1.1
231.21152	5.4
232.21634	0.8
236.29279	0.6
245.04295	16.3
260.24719	0.7
265.29828	0.8
275.20151	5.5
276.20566	1.3
277.21738	2.8
278.22052	4.4
281.41953	0.7
385.31122	5.8
386.31458	1.1
411.32990	1.0
423.32617	0.7
441.33664	5.3
442.33960	1.4
459.34732	8.6
460.35321	2.3
467.31293	0.9
485.32648	7.3
503.33826	100.0
504.34210	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	503.3383
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03326	3.8
59.01234	2.0
71.01246	0.7
74.69571	0.6
96.95889	4.3
113.38710	0.6
167.32913	0.7
214.66302	0.7
355.29944	0.9
357.31799	0.8
377.23581	2.2
383.29630	1.7
384.12720	0.7
401.30594	4.2
423.31448	2.7
424.32098	0.8
441.33783	5.1
459.34818	13.7
460.35178	2.7
485.32813	6.5
486.33069	0.7
499.58475	0.7
503.27737	4.0
503.33786	100.0
504.27292	1.0
504.34122	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62019	1.8
56.26933	2.1
59.01247	6.7
61.98693	5.7
65.00205	2.6
70.41198	6.9
71.01234	3.5
72.01581	2.1
78.91767	1.9
83.01280	2.4
83.37058	2.0
87.95737	2.0
88.12828	2.2
89.02326	3.5
93.03341	5.3
94.11243	1.9
95.01242	2.5
96.95922	2.3
98.19839	2.4
107.01273	4.7
109.02850	2.3
113.02269	2.4
119.04873	2.0
121.02873	3.9
122.10706	2.1
123.00719	5.2
125.02330	2.2
132.02043	4.1
134.02388	5.5
135.00818	2.4
135.04422	5.2
137.02356	13.8
145.02858	3.0
151.00276	23.0
151.03850	3.0
152.00998	2.3
159.52881	2.1
162.01894	19.7
163.00269	5.7
164.03412	16.6
169.01357	3.0
171.03152	2.3
177.01884	15.1
178.99785	9.4
186.01822	7.0
187.03963	3.5
190.01373	6.7
191.05516	5.0
202.22462	2.6
203.02115	3.3
204.02928	19.9
211.03969	2.7
226.07509	2.1
227.03461	11.8
229.04959	3.2
238.37901	2.0
243.02942	5.2
255.02960	26.8
256.03400	2.8
257.04572	3.7
266.04611	3.4
269.04526	5.0
270.04095	4.1
271.02505	28.3
272.03232	4.5
273.04013	4.0
278.04568	3.2
279.03012	9.5
283.02451	14.7
284.03122	10.0
285.03900	5.4
294.04086	4.7
295.04797	3.9
295.08072	2.8
297.03964	6.6
300.02728	36.5
301.03516	37.4
302.03958	3.9
306.04053	17.4
307.04486	4.0
323.04391	22.1
324.05078	49.4
325.05600	5.0
339.07083	3.2
341.05286	23.0
342.05905	7.0
384.09402	13.7
410.07672	3.6
446.08105	2.6
447.09244	3.1
463.08646	17.1
486.10297	16.6
487.10825	3.0
504.11478	100.0
505.10986	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	504.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67165	2.1
59.01257	8.5
65.99734	4.7
69.47976	5.5
69.48381	11.4
71.01239	2.7
79.88331	2.6
91.01746	2.6
93.03342	2.5
95.01299	2.8
98.19820	5.6
107.01266	3.2
109.02821	20.1
110.74410	2.4
110.95820	2.5
111.00787	2.5
121.02820	6.6
121.47631	2.1
123.00759	5.7
125.02367	5.8
133.02884	3.1
134.02374	6.4
135.00824	2.8
137.02350	17.9
139.00308	2.2
140.30855	2.3
146.02383	2.7
147.00784	4.2
148.01561	37.6
149.02374	22.4
151.00256	17.5
152.01028	3.4
153.01837	5.3
158.02345	4.5
161.02324	4.1
162.01849	15.8
163.00278	12.3
163.02654	4.1
163.03937	4.6
164.01117	2.8
164.03375	12.6
165.01901	3.4
169.28090	2.2
175.00285	3.6
176.01076	3.7
177.01877	45.8
178.02225	2.5
178.99797	13.5
179.03352	4.8
181.01270	3.1
186.01871	13.7
190.01419	6.7
191.02155	8.5
193.01361	3.3
199.04030	3.8
202.01373	6.2
202.99825	15.8
203.01907	4.3
204.02962	35.2
205.03221	3.1
214.01421	5.2
215.03474	5.4
217.04907	2.8
222.04013	4.0
227.03340	4.8
230.00908	27.1
231.01178	3.6
233.04605	2.9
241.90804	2.6
243.02983	5.9
245.04761	3.1
247.01244	2.8
254.04587	2.7
255.03026	8.4
269.04630	5.0
271.02460	26.0
272.03137	10.1
273.04041	10.4
285.03992	5.0
286.03543	2.9
288.02771	5.1
289.03751	2.9
294.04150	5.5
295.08151	5.8
299.01920	19.6
300.02621	15.4
310.03522	3.8
313.03363	13.9
315.04468	2.8
316.02042	13.7
317.03018	33.0
318.03336	4.1
322.03671	15.6
327.07285	8.8
339.03787	17.4
339.07312	11.7
340.00940	4.0
340.04492	48.2
340.08215	4.2
341.04977	7.6
350.08707	3.9
354.36337	2.8
357.04797	16.1
358.05688	27.5
368.09821	42.3
369.10156	5.1
394.07779	56.8
395.08246	8.4
419.09854	5.6
434.89764	2.6
446.08719	4.2
447.09250	3.0
463.08810	22.8
464.08755	3.6
486.10263	23.5
504.11557	100.0
505.11807	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
62.96267	0.1
69.28082	0.1
69.82967	0.3
71.01254	0.2
72.56316	0.1
78.95776	25.2
82.41676	0.1
83.04883	0.2
89.18146	0.1
96.96813	0.4
98.20531	0.1
100.25602	0.1
104.97398	0.1
122.98429	0.1
134.98398	0.2
150.97934	0.1
152.99489	4.9
168.04228	3.6
169.04565	0.1
171.00572	0.2
194.05829	0.2
224.06898	10.3
225.07219	0.3
227.03270	0.3
242.07935	2.4
245.04163	0.1
261.22171	0.5
277.21735	5.9
279.23285	100.0
280.23618	11.7
359.38956	0.1
415.22665	0.1
504.30954	23.3
505.25455	2.9
505.31454	3.9
510.15479	0.1
513.36334	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	505.0991
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
57.16014	0.2
59.01245	1.3
63.02257	0.5
65.00189	0.8
69.28359	1.6
71.01249	1.4
72.99188	0.2
73.02818	0.7
83.01264	0.8
85.02821	0.6
89.02328	0.5
91.01748	0.2
93.03313	0.5
101.02335	1.2
107.01276	2.0
108.02069	1.1
109.02845	1.3
113.02322	0.7
121.02840	1.3
123.00726	0.2
124.01563	0.2
125.02327	0.5
131.03392	0.3
135.00772	0.8
141.42577	0.2
148.01578	1.3
151.00273	9.5
152.00658	0.4
153.01796	0.3
159.04359	0.4
161.04507	0.5
163.00291	2.0
164.01039	0.6
169.01343	0.4
171.04382	0.3
178.99785	5.0
183.04431	0.5
187.03922	0.6
189.01947	0.2
190.99715	0.4
191.05701	0.2
192.00551	0.3
198.03145	0.4
199.03911	0.9
201.01862	0.3
203.03406	0.4
211.03975	1.0
215.03415	0.6
216.04179	0.5
226.02693	1.4
227.03462	3.0
228.03957	0.4
229.01396	0.3
229.05026	0.7
243.02956	10.6
244.03394	1.1
245.04567	0.8
254.02206	2.4
255.02969	24.7
256.03357	2.4
271.02469	54.9
272.02908	6.4
273.03891	1.3
283.02466	1.1
293.59033	0.2
299.02020	1.2
300.02734	100.0
301.03424	37.4
302.03812	2.9
343.04562	0.6
373.22284	0.4
445.07806	0.2
455.88983	0.2
463.08823	3.3
464.08826	0.7
489.40924	0.2
505.09879	46.2
506.10172	7.6
506.17755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22573	0.2
59.01244	0.6
65.21565	0.2
70.68782	0.3
70.69135	0.4
78.55011	0.2
78.87234	0.2
121.02856	100.0
121.50245	0.3
122.03179	3.8
180.05798	0.6
181.06523	3.9
197.06068	2.7
199.07713	0.3
207.04489	0.9
207.08124	0.3
223.03995	0.4
225.05544	2.5
226.05971	0.4
257.09775	0.7
262.41077	0.2
268.66840	0.3
269.08099	0.4
285.09167	0.3
313.07220	5.2
314.07578	0.5
322.91080	0.3
353.08939	0.2
357.06174	0.9
373.10800	0.4
383.07724	1.1
389.10617	0.3
417.09827	9.9
418.10184	1.6
433.09271	0.6
461.12311	0.4
505.11484	7.7
506.11966	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	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
57.06704	0.9
58.00460	2.6
59.01254	53.1
65.20920	1.0
69.21889	8.6
71.01257	29.1
72.99166	2.9
73.02813	2.8
81.03349	1.3
83.01254	2.6
83.04893	1.4
85.02843	6.2
87.00761	12.8
89.02321	34.0
89.03849	4.4
93.03333	11.5
94.03625	1.1
95.01264	1.8
95.04907	1.9
96.34367	0.9
96.95886	1.2
97.02824	1.3
99.00748	3.4
101.02320	18.7
105.03342	4.7
107.04927	1.1
108.02023	1.4
109.02848	9.7
111.00739	1.0
113.02322	10.1
117.03316	1.2
119.03414	4.5
119.04923	4.9
121.02852	6.2
123.00777	1.6
123.04424	10.8
125.02319	2.7
127.00327	0.9
129.01822	1.2
131.03398	20.8
132.02087	2.5
133.02858	21.0
133.06404	1.2
135.04420	5.8
137.02382	6.8
137.46317	0.9
139.80356	1.0
143.03406	1.3
145.02835	5.8
147.04417	13.7
148.01492	0.9
148.04724	1.0
149.02377	15.3
149.04448	17.5
149.05721	2.0
150.02899	1.7
151.03926	17.0
161.04501	2.0
161.05974	2.8
163.03893	6.4
165.05502	1.2
175.03938	1.6
177.01859	100.0
178.02133	5.1
179.03316	1.6
179.05505	2.0
191.05539	22.0
192.06013	1.0
192.07750	0.9
193.05038	2.3
195.02945	18.9
205.05016	2.2
219.03072	1.7
235.06035	3.9
237.04033	9.0
265.07220	6.9
267.05093	10.7
279.05066	1.3
297.06131	19.9
327.10809	3.8
357.08206	5.5
502.13391	1.0
504.47781	1.1
505.13602	5.8
505.25946	1.2
505.33826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03558	0.7
56.47747	0.8
57.03320	0.7
58.00445	0.8
59.01252	19.7
61.98698	1.6
64.01761	0.7
64.29700	0.7
68.99686	1.3
69.03341	1.1
70.56496	1.8
71.01257	12.6
72.99182	3.8
73.02811	2.7
75.00754	1.3
77.63720	0.8
81.03312	1.0
83.01252	2.0
85.02818	5.8
87.00757	10.0
89.02321	8.3
89.03832	3.1
91.76829	0.7
93.03344	14.7
95.01300	1.8
95.04900	1.9
96.95850	1.7
99.00764	1.5
101.02323	6.8
105.03350	5.2
107.04912	1.1
108.02051	3.8
109.02838	14.1
111.00777	2.0
111.04387	0.9
113.02333	5.4
117.03342	1.1
119.03370	3.0
119.04909	3.2
121.02833	9.9
122.85262	0.8
123.00776	0.8
123.04405	18.6
125.02328	3.0
129.01833	1.0
131.03389	1.1
132.02110	4.9
133.02850	25.3
134.03233	1.2
135.04414	4.7
137.02354	9.7
139.03883	1.2
145.02832	3.3
147.04417	16.5
149.02351	17.0
150.02675	0.9
151.02698	1.1
151.03905	16.2
151.07486	2.1
159.04362	2.0
161.02322	2.5
161.04486	2.1
161.05910	1.9
163.03976	3.9
165.05478	1.4
167.03403	1.6
173.04433	1.1
173.05971	0.9
175.03923	1.9
177.01854	100.0
177.05280	2.0
178.02170	4.6
179.03386	3.3
179.05504	1.2
179.07008	0.7
191.03371	2.1
191.05490	3.8
193.04999	2.2
195.02919	24.1
205.04968	1.7
219.02960	2.5
221.04375	1.5
235.05991	1.0
237.03999	7.1
237.08992	0.9
263.07294	0.8
265.07156	2.4
267.05038	9.7
271.02664	0.9
279.04953	1.2
281.08160	2.7
283.09866	2.5
292.19806	0.9
293.08340	1.0
295.09821	1.3
297.06134	23.4
298.06308	1.9
311.09250	3.5
313.16422	1.5
325.09998	0.9
326.11487	1.8
327.11172	1.1
341.13861	5.9
343.15485	1.1
355.11789	1.5
357.08170	3.6
445.24661	1.3
457.15082	1.9
460.17188	1.6
472.17087	1.9
475.19778	11.7
476.19873	2.2
487.19760	13.2
488.19659	1.9
505.13620	5.5
505.20102	1.9
505.26822	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
61.98680	0.3
63.02435	0.2
66.20010	0.2
69.49834	1.3
71.01252	1.2
72.29427	0.2
73.02798	0.3
79.77353	0.2
85.02831	0.7
89.02315	0.3
93.03326	0.8
99.00748	0.3
101.02313	0.5
105.40894	0.2
108.01994	0.2
109.02835	1.8
113.02327	0.4
121.02846	6.6
122.03638	5.0
123.04467	1.8
124.01555	0.7
130.03821	0.2
131.03398	0.2
135.04424	1.4
136.01573	0.3
136.05194	0.6
137.02351	0.4
143.59804	0.2
147.04414	0.5
149.05978	0.7
154.02609	0.3
154.45197	0.2
161.04547	0.4
161.05984	1.6
163.03955	1.6
173.05965	0.4
177.05394	0.4
179.07239	0.2
183.28847	0.2
189.05504	0.5
190.06248	1.4
191.05489	0.3
191.07062	3.4
192.07327	0.3
203.07083	0.7
205.08838	0.3
208.98962	0.2
240.07892	0.3
286.12396	0.3
299.12933	1.4
313.10843	1.9
314.10977	0.3
327.12411	0.9
328.13159	31.8
329.13495	3.7
343.15497	100.0
344.15848	12.9
445.24765	0.3
524.69043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.4
57.03333	1.4
58.00480	2.3
59.01251	100.0
61.98689	1.1
62.81237	1.1
71.01256	49.2
72.99178	2.5
73.02831	3.8
81.85332	1.1
83.01276	2.4
85.02830	9.1
85.09129	1.2
87.00756	17.3
88.00291	2.8
89.02320	71.4
93.03304	1.3
97.33934	1.0
99.00763	5.4
101.02325	28.4
109.02867	1.6
113.02335	10.6
119.03387	4.4
119.04890	1.4
123.04411	1.7
125.02286	1.5
129.01851	2.0
131.03401	42.2
133.02827	3.8
137.02357	2.1
143.03485	1.4
147.04431	2.0
149.02499	2.2
149.04475	43.6
150.04742	1.4
151.03947	2.9
161.04500	2.2
177.01866	16.6
191.05554	37.2
192.05928	1.6
195.02985	2.7
297.06213	2.1
333.94122	1.1
445.20767	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92926	2.4
57.03317	2.6
58.90202	2.7
59.01254	84.4
61.98693	3.0
71.01254	60.0
71.53829	5.2
72.99158	5.7
73.02830	19.7
75.00745	3.8
85.02838	16.9
87.00762	20.4
88.00299	3.7
89.02323	100.0
96.95908	3.5
99.00757	24.4
101.02328	38.5
109.02843	3.1
113.02375	13.9
117.05430	3.0
119.03455	6.8
125.02361	7.2
131.03394	16.9
149.04451	59.3
155.85405	2.6
173.82025	3.3
177.14890	3.2
181.12111	3.2
191.05548	21.7
271.02417	3.6
286.29037	3.1
314.21356	3.5
387.27521	3.1
416.42255	2.9
505.18097	3.7
505.25006	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24166	0.3
57.15966	0.3
59.01241	1.1
63.49047	0.4
71.03361	0.5
78.95781	9.3
91.05702	0.4
96.96864	0.7
103.86771	0.3
142.49751	0.3
152.99492	17.3
171.00539	1.4
187.53728	0.4
227.03258	2.9
233.22945	0.5
245.04248	1.8
259.20526	0.7
275.20227	0.5
277.21719	100.0
278.18991	0.6
278.22064	12.2
364.57321	0.4
505.25726	28.7
506.26050	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38789	0.4
59.01236	1.5
71.02540	1.0
71.09283	0.4
78.11987	0.4
78.95777	29.9
80.21383	0.4
83.52683	0.4
88.82340	0.4
90.02534	0.4
96.96855	1.8
106.98079	0.5
112.28955	0.5
150.97870	0.5
152.99489	45.6
153.99829	1.1
167.68228	0.5
171.00539	1.9
227.03200	6.1
245.04337	3.4
252.69296	0.5
275.20197	0.7
277.21725	100.0
278.22061	11.5
280.23514	0.6
294.97086	0.5
413.21005	1.0
505.25708	57.8
506.26093	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	507.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.3
61.98680	1.2
71.01251	2.8
71.31117	0.4
73.02792	0.5
73.26117	0.4
85.02815	0.9
89.02309	2.3
93.03339	2.2
98.20602	0.8
99.00760	0.8
101.02327	1.8
107.04894	0.8
108.02054	3.3
109.02826	1.0
113.02314	1.0
119.03368	0.4
119.04915	0.5
121.02843	15.1
121.06440	0.5
122.03067	0.5
122.08782	0.4
123.00845	0.5
123.04420	2.2
125.02309	0.5
132.01257	0.4
134.03659	0.7
135.04414	15.6
136.04752	0.5
145.02876	1.0
145.70410	0.4
146.03673	0.7
147.04424	1.4
148.05054	0.5
149.02350	0.9
149.04468	0.7
149.05981	1.8
150.03159	0.5
158.03654	0.7
159.04391	1.6
161.02391	0.4
163.03867	1.2
165.05527	0.5
166.06297	1.7
167.06984	0.5
179.07034	1.7
180.07840	39.6
181.08253	2.9
182.05722	0.5
194.05751	1.4
195.10207	5.3
197.06032	0.8
208.05363	0.7
208.07349	9.5
209.06067	1.0
209.07904	1.0
211.03918	1.4
211.07562	0.6
211.13348	1.8
212.04758	0.9
212.06750	0.8
213.05537	0.8
223.09703	65.3
224.04709	0.7
224.10039	4.5
225.05565	2.7
226.08318	0.6
230.09486	0.6
235.03905	0.9
235.09735	0.6
236.04695	1.1
237.05560	2.6
238.06404	0.6
239.03455	1.2
239.07082	0.6
240.04230	3.1
241.04898	1.0
247.04034	1.4
248.04802	2.6
249.05467	1.6
250.02730	0.5
251.03447	6.8
251.07208	0.6
252.04172	3.0
252.08055	0.5
253.05042	4.3
253.08899	0.7
254.05833	2.3
254.09573	0.7
255.06633	0.6
256.07315	0.7
261.05545	1.3
263.03571	0.7
263.07248	0.6
264.04245	3.4
265.05042	9.2
266.05643	1.8
267.06598	1.6
268.07419	1.7
269.08139	4.9
270.08817	0.8
271.09698	0.6
276.07477	0.6
277.05136	2.6
278.05713	2.1
279.06439	0.8
280.07330	1.4
281.08319	0.8
282.09015	2.0
283.09723	5.4
284.10175	1.0
285.11438	0.6
293.08160	1.7
295.09750	1.8
296.10468	0.6
297.11365	2.1
298.08496	1.2
307.09738	1.1
308.10544	0.8
309.07874	0.5
309.11346	1.2
310.08481	0.5
311.09244	1.7
312.10001	1.6
313.10803	4.5
314.11243	0.5
315.17798	0.6
318.85754	0.5
323.09293	1.0
323.12891	0.7
325.10876	3.4
326.11298	0.9
327.12341	1.6
328.13214	2.4
329.08264	0.6
343.10104	0.5
344.10559	0.6
356.12561	1.4
357.11359	0.7
371.09409	1.0
371.14975	5.4
372.06134	0.5
374.11588	0.5
381.07452	0.9
382.08389	0.8
383.09567	0.6
383.14789	1.2
385.10788	1.2
387.12546	2.0
388.13263	1.1
389.14023	0.9
395.09335	0.8
398.11426	1.3
399.12363	1.6
400.09076	1.0
401.09958	0.9
402.11017	1.5
403.11365	0.8
404.12518	0.8
411.12164	0.6
413.09863	0.8
414.10995	1.9
415.11768	2.4
416.12723	2.2
417.13492	8.0
418.13855	1.2
425.10205	1.0
426.11111	2.2
427.11700	2.1
428.12418	1.1
429.13315	4.8
430.13995	0.9
431.15649	3.9
432.11542	5.4
433.12466	0.6
441.13486	3.5
442.13782	0.9
443.14999	1.7
444.11920	5.3
445.12082	1.0
445.17316	0.5
447.14447	13.8
447.22208	1.2
448.14874	2.4
457.16476	0.8
458.17157	1.0
459.14441	22.1
460.14700	4.1
462.16852	18.7
463.17026	2.8
473.16132	0.5
474.16821	15.5
475.17322	3.3
477.19177	100.0
478.19556	17.5
489.19199	64.3
489.26746	1.0
490.19513	12.8
507.20358	10.0
507.27805	0.6
507.35254	1.3
508.20850	2.3
512.95300	0.5
513.32739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98706	0.8
58.00470	2.4
59.01250	100.0
60.01592	1.2
68.92488	0.8
71.01252	39.3
71.11774	0.9
71.12103	1.2
72.01599	0.8
72.99194	1.9
73.02827	2.3
83.01275	1.9
85.02823	7.2
87.00774	1.4
89.02317	54.2
90.02625	1.2
92.46729	0.9
95.01241	1.2
99.00741	1.4
101.02319	24.9
113.02328	14.7
119.03394	14.4
125.02287	1.5
131.03397	47.5
132.03711	1.1
143.03427	5.4
145.59453	0.7
149.04465	21.6
161.04477	4.4
168.40710	0.7
179.05524	17.1
191.05547	16.3
251.07771	1.5
315.18210	3.9
445.79068	0.8
447.22327	8.0
448.22714	1.2
454.42880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29993	1.4
55.01758	2.4
57.03313	3.2
59.01254	75.4
61.98707	9.7
69.03322	1.6
70.92372	4.1
71.01257	49.7
72.01601	2.1
72.99171	3.5
73.02821	13.5
77.37094	1.6
83.01245	5.2
85.02824	21.0
87.00757	3.4
88.98659	5.3
89.02319	41.2
91.81938	1.5
95.01286	2.7
96.95848	2.8
97.02842	3.4
99.00753	6.5
101.02331	36.1
111.00751	2.3
113.02336	17.1
117.67109	1.7
119.03394	1.8
121.02840	1.9
125.02310	3.8
129.01822	1.5
131.03401	25.4
132.97005	1.6
143.03360	3.3
149.04457	7.5
153.09123	3.6
159.02887	3.8
159.75429	1.5
161.02353	2.3
161.04437	16.0
171.36589	1.5
179.05440	1.8
191.05560	3.4
194.18553	1.6
233.06674	2.8
315.18137	48.5
316.18542	2.4
343.15350	3.2
344.15698	4.3
345.16010	7.1
345.26346	1.8
447.22198	100.0
448.22601	13.9
460.53436	1.7
472.07980	1.8
507.20135	9.1
507.31775	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	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
70.87363	0.5
78.95786	10.6
87.68379	0.3
96.96837	1.0
110.75884	0.3
150.97881	0.3
152.99503	18.5
166.69411	0.3
171.00575	1.3
227.03265	3.1
245.04312	1.6
261.22220	0.6
279.23306	100.0
280.23651	12.6
281.24783	0.3
282.25253	0.5
304.46799	0.2
416.57751	0.3
502.95535	0.3
507.27304	30.7
508.27679	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	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.5
57.03330	4.3
58.00458	0.7
59.01252	20.3
61.98706	1.0
65.08557	0.6
69.03310	1.0
70.84450	0.6
71.01254	32.7
71.21217	0.8
71.43625	0.6
72.01603	0.9
72.99189	2.0
73.02821	15.3
76.61091	0.6
81.45913	0.6
83.01254	8.0
85.02827	19.1
87.00761	2.3
89.02336	3.7
95.01270	2.5
97.02818	1.3
97.06445	0.8
99.00769	6.6
101.02330	29.6
102.02625	0.8
109.06454	0.7
111.00750	3.7
113.02332	13.7
118.44387	0.5
125.02351	1.5
129.01825	1.5
143.03392	1.2
159.02911	3.2
161.04485	8.8
175.96594	0.6
185.15291	0.8
208.51164	0.6
209.11864	0.6
299.25980	2.5
345.26291	1.6
345.30029	7.7
346.30359	1.1
507.35425	100.0
508.35855	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.8
57.03321	4.8
58.00462	1.6
58.50121	0.6
59.01254	37.7
61.98682	0.9
69.03322	1.8
69.33102	3.6
69.33533	2.2
71.01257	67.1
72.99189	4.3
73.02822	19.3
75.00761	0.9
83.01258	10.5
84.02022	0.7
85.02829	29.8
87.00764	4.8
89.02319	18.5
95.01280	6.3
96.95912	1.8
97.02834	2.3
99.00755	7.7
100.54755	0.7
101.02326	53.5
102.02689	1.2
111.00777	2.0
113.02327	27.4
119.03399	7.7
119.70451	0.7
125.02316	1.9
129.01842	2.1
131.03363	1.1
143.03395	3.3
147.04555	0.9
153.09256	0.8
159.02910	6.7
160.05196	0.8
161.04472	29.5
171.13841	1.4
175.07550	2.7
179.05559	1.7
205.03432	2.0
248.06317	0.8
299.25989	2.5
345.25858	1.3
345.30090	24.4
346.30548	3.2
425.25421	0.8
434.19043	1.0
462.63889	0.7
507.35385	100.0
508.28540	0.9
508.35767	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	509.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33957	0.3
56.95525	0.2
57.03323	0.5
59.01249	1.6
60.99182	0.3
67.01753	0.7
69.03333	0.5
71.01257	1.5
71.01706	0.5
73.02818	0.9
78.43935	0.3
81.02267	0.3
81.03345	0.7
83.04900	0.9
85.02827	8.9
87.00753	2.2
89.02325	0.5
93.03342	8.1
94.03660	0.4
95.04862	0.3
96.95892	4.7
96.96829	0.4
99.04394	0.6
109.02861	1.3
111.04398	2.2
121.02954	0.3
124.01585	0.3
125.02368	0.3
127.03927	2.8
132.02025	0.3
133.02866	0.4
134.03641	0.8
135.04416	6.4
136.04646	0.3
137.02359	2.6
150.03035	0.5
151.03932	0.7
155.03423	1.4
155.10654	0.7
159.04434	1.1
160.01561	0.3
161.02374	0.6
161.05984	0.4
165.86548	0.3
171.02887	0.4
173.04491	5.1
173.05949	0.4
174.03149	1.0
178.02557	0.3
179.03432	1.5
185.05995	0.6
187.04015	0.5
187.07562	0.5
191.05550	100.0
192.05885	4.2
200.16794	0.2
201.05589	0.3
205.15891	0.4
208.05290	0.4
209.06023	4.1
210.06372	0.4
211.03932	0.5
211.07605	4.3
212.07951	0.3
213.05537	0.4
227.07082	0.5
229.08624	1.2
237.05605	1.2
245.08247	0.7
247.09781	1.9
253.05075	0.3
255.06635	3.1
267.16116	0.8
273.07700	8.0
273.10635	0.5
274.08011	0.8
281.04532	3.8
282.04712	0.4
291.08774	2.7
299.05630	6.6
300.05994	0.7
300.71802	0.2
307.08380	0.2
308.09094	1.1
317.06622	6.2
318.07275	0.3
335.10187	0.6
347.11691	5.4
348.11926	0.5
352.07993	0.9
353.08719	2.8
447.13159	0.5
465.14041	4.3
466.14191	0.8
473.10995	0.7
489.70425	0.3
491.11908	2.5
492.12851	0.3
509.13226	5.0
510.13141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.7
63.51022	0.4
67.01757	0.9
71.01245	1.6
71.01762	0.8
72.99192	0.8
73.02808	0.5
74.81776	0.4
85.02344	0.8
85.02820	9.8
87.00745	1.9
93.03337	5.0
96.95895	1.2
99.00720	0.4
109.02821	1.3
111.04372	1.2
121.02810	0.4
123.08090	0.4
127.03889	2.6
135.04405	2.9
159.04410	1.2
171.02940	0.6
173.04457	3.1
173.05905	0.7
174.03127	2.1
175.03773	0.7
179.03409	1.3
187.03929	1.1
191.05536	100.0
192.05873	4.2
193.06367	0.5
209.06012	7.2
210.06358	1.0
211.03990	1.0
211.07610	2.9
213.05655	0.6
225.05499	0.7
229.08621	0.5
237.05676	2.6
245.08167	1.8
255.06636	4.5
256.07101	0.5
273.07724	4.3
281.04550	6.0
291.08835	1.2
299.05649	6.7
300.05847	0.6
317.06616	7.0
318.06949	0.6
347.11816	1.3
353.09006	0.5
378.81107	0.6
447.12979	1.2
465.14090	1.4
473.10898	1.8
474.11569	0.5
491.11771	2.7
501.16183	0.5
509.12421	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	509.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95575	0.3
59.01256	1.1
67.01767	0.3
69.63560	1.6
71.01251	1.2
73.02830	0.3
74.43989	0.3
81.03339	0.3
83.04890	0.3
85.02825	7.2
87.00759	1.7
93.03341	3.9
95.04937	0.3
96.95888	0.9
99.04388	0.4
105.03370	0.5
108.02066	0.4
109.02823	1.7
110.15057	0.3
111.04412	1.6
121.02840	0.5
124.01552	1.1
125.02313	0.5
127.03922	2.4
132.02083	2.4
133.02859	6.1
134.03619	1.2
135.04424	16.7
136.04771	0.9
137.02368	0.9
150.03181	0.6
151.03929	1.3
151.53976	0.3
155.03371	0.5
160.01576	5.0
161.02356	3.2
163.03871	0.3
173.04497	2.5
173.05891	0.5
177.01871	4.5
179.03423	4.3
187.04091	0.4
191.05545	100.0
192.05890	4.1
209.06071	0.5
211.07623	1.3
229.08614	1.1
237.05597	0.5
245.08203	1.1
247.09706	0.4
255.06535	1.4
273.07718	5.6
274.08118	0.3
281.04492	1.0
288.09076	0.3
290.07962	0.4
291.08722	1.4
299.05658	1.2
307.08301	0.4
308.09030	3.0
317.06653	5.1
335.07742	0.9
336.08020	0.3
351.07205	0.3
352.07986	2.0
353.08734	8.9
354.09064	1.3
389.21811	0.3
465.13916	1.0
473.11383	0.4
491.11993	0.7
509.12814	4.0
510.13419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09778	0.3
59.01257	1.4
61.98699	0.3
67.01754	0.5
69.83087	1.5
71.01268	1.0
73.02833	0.7
81.03328	0.4
83.04910	0.5
85.02831	8.5
87.00760	2.2
88.02512	0.3
93.03342	4.3
95.04936	0.7
96.95911	0.7
98.95486	0.4
99.04394	0.5
105.03365	1.4
108.02067	0.4
109.02845	1.2
111.04405	1.1
117.03399	0.3
121.02891	0.4
124.01562	1.1
125.02340	1.0
126.03178	0.3
127.03919	2.6
132.02080	3.5
133.02870	11.2
134.03773	1.4
135.04433	14.7
136.04776	0.8
137.02338	0.7
144.14920	0.3
145.02837	0.4
150.03168	0.5
151.03943	1.7
160.01584	9.0
161.02359	5.1
162.02713	0.7
171.02966	0.5
171.04515	0.3
173.04462	2.3
177.01872	5.4
178.02643	0.6
179.03416	4.1
189.82556	0.3
191.05557	100.0
192.05904	4.5
198.43706	0.3
209.05830	0.5
237.05606	0.4
255.06534	1.4
273.07706	5.1
274.07898	0.6
281.04636	0.8
291.08649	0.4
299.05560	1.5
307.08151	0.6
308.09033	1.3
317.06705	3.4
319.08173	0.4
329.06842	0.5
335.07706	1.0
351.07199	0.4
352.07877	1.5
353.08817	6.9
354.09027	0.6
465.14096	0.8
491.12064	1.0
504.68408	0.4
509.13000	10.5
510.13199	1.8
513.60358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.6
61.96271	1.7
67.01772	2.8
67.18898	1.5
69.27705	3.1
69.28105	12.7
71.01254	2.1
75.97686	1.5
79.95587	2.1
85.02821	10.2
87.00734	4.8
93.03347	20.2
94.04935	1.7
95.04910	3.1
96.95892	73.0
99.00825	1.7
109.02830	5.8
111.04420	4.8
113.05984	3.3
135.04416	8.5
137.09616	2.1
139.07497	2.2
155.10692	22.1
173.04456	11.6
191.05533	92.8
192.05858	3.6
205.15936	9.9
211.07532	8.1
216.24048	2.0
219.94846	2.1
229.08667	3.0
245.08127	15.3
247.09834	3.2
250.08586	2.0
267.16010	16.4
273.07666	4.6
291.08710	1.9
317.06674	40.3
318.06998	2.6
335.08139	3.5
347.11688	100.0
348.11899	7.6
353.08792	2.8
465.13998	14.2
466.14590	2.0
509.17542	36.1
510.17157	5.1
519.73950	2.1
523.36401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.9
63.66976	0.5
66.40848	0.5
70.07350	1.2
85.02828	7.4
87.00748	2.1
90.84160	0.5
93.03345	5.2
96.95876	0.7
107.52628	0.5
109.02811	0.8
110.13066	0.5
111.04432	1.0
117.93171	0.6
127.03920	1.5
135.04482	0.7
173.04559	2.6
174.03120	1.7
175.03992	0.6
191.05548	100.0
192.05890	4.4
209.05949	0.8
211.07611	1.8
237.05531	0.8
245.08095	1.0
255.06680	2.6
273.07730	3.6
274.07755	0.6
281.04599	1.1
291.08783	1.1
299.05838	0.7
317.06714	0.8
447.12851	0.6
448.04489	0.5
465.13876	4.2
466.14499	0.7
491.11719	1.0
505.60681	0.5
509.13232	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
67.01726	0.7
70.10738	0.6
83.73571	0.5
85.02824	7.4
86.71902	0.6
87.00751	1.5
93.03325	2.8
96.95894	0.8
109.02888	0.9
111.04364	1.0
127.03876	1.5
135.04301	0.9
173.04456	1.7
191.05540	100.0
192.05869	4.5
208.05220	0.8
209.06007	12.7
210.06389	0.8
211.07707	1.3
227.07104	1.0
236.31622	0.6
237.05569	2.1
245.08121	1.2
250.43030	0.6
253.05157	1.1
255.06523	1.6
273.07742	1.9
281.04556	15.3
282.04846	1.3
291.08609	0.8
299.02139	1.1
299.05597	22.4
300.05972	2.0
317.06662	14.1
318.07074	1.7
347.11755	1.3
353.09073	0.9
403.42923	0.6
465.13983	2.0
473.10721	0.9
491.11920	6.3
492.12564	1.5
509.13113	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	509.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86560	1.0
58.02835	1.5
59.01241	1.3
70.83208	2.4
75.58504	1.1
77.24131	1.1
79.95634	1.1
83.04872	1.0
85.02850	2.8
87.00782	1.5
93.03349	4.6
95.04911	1.7
96.95887	51.5
102.01873	1.5
109.06518	1.6
111.04422	1.6
135.04491	2.7
155.10683	21.2
173.04533	3.4
191.05548	46.7
192.05923	2.8
199.09758	1.1
205.15916	9.6
211.07767	1.2
223.17149	2.2
245.08211	6.7
250.43057	1.2
267.16022	23.9
268.16510	2.5
317.06659	10.4
318.07016	2.2
329.10870	1.9
347.11694	100.0
348.12015	10.9
353.08780	2.0
356.82147	1.4
465.14111	5.3
509.17233	35.3
510.17325	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	509.2545
Annotation	Kadlongilactone D
Peak:m/z	Relative Intensity
57.03321	1.5
59.01248	3.8
60.88015	1.2
61.98709	4.8
71.01255	3.7
71.54345	1.8
73.18735	1.2
78.66293	1.3
79.05424	1.5
80.99446	1.5
81.03342	2.5
83.04893	2.3
84.99197	1.7
93.03352	2.6
96.95866	1.7
97.06474	61.2
97.07113	2.9
98.06843	2.8
99.00783	2.1
101.02355	1.3
109.06469	1.4
123.04411	6.0
139.07536	5.5
141.05476	36.0
142.05814	1.6
151.00244	1.6
162.06792	1.7
165.71591	1.4
171.08044	1.2
177.09094	1.6
187.07756	1.5
191.05580	2.3
196.05467	1.5
209.11761	1.9
235.11156	3.2
255.02797	1.4
300.02731	6.3
301.03540	2.3
312.22485	1.4
337.14487	6.0
339.19653	3.3
343.19202	4.1
345.22345	2.9
361.14560	1.4
365.21265	5.1
367.19107	51.0
368.19595	8.4
377.17694	2.0
381.20865	7.8
382.20969	2.1
387.35080	1.4
389.21368	17.5
390.21423	3.3
391.19016	7.8
407.22391	12.0
409.20013	7.6
419.25970	2.1
421.27524	2.0
429.24490	1.5
430.30658	1.4
433.19931	1.6
447.09308	6.1
447.25394	20.4
448.25577	2.8
451.21234	11.9
465.26535	9.5
473.23419	4.7
491.24402	100.0
492.24762	18.4
509.24924	14.9
509.32187	1.9
510.26218	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	509.2889
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.22240	0.5
70.13449	0.5
70.36453	0.5
71.53983	0.6
78.95781	20.8
96.96860	1.7
141.78545	0.6
144.05101	0.5
150.98013	0.5
152.99501	32.4
153.99796	0.7
156.90167	0.5
161.08008	0.4
171.00581	1.7
173.14682	0.5
196.89444	1.4
227.03258	3.9
245.04243	1.7
281.24878	100.0
282.25229	9.6
417.24054	0.6
509.28876	53.4
510.29214	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	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10096	1.1
70.10436	0.3
74.46612	0.3
78.95778	20.5
96.96832	1.6
150.97911	0.5
152.99492	32.1
153.99831	0.7
162.01013	0.3
171.00540	1.5
227.03212	3.9
245.04309	1.8
281.24850	100.0
282.25214	10.7
283.57755	0.3
346.79373	0.3
417.24188	0.7
417.42456	0.4
478.23615	0.3
509.28848	51.5
510.29211	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04003	0.8
61.98700	10.6
67.09576	0.7
69.51453	2.5
69.51865	2.7
107.01279	1.5
109.02818	1.2
121.02866	1.6
128.93373	0.9
135.00858	1.0
151.00253	9.1
163.00269	1.9
175.98560	0.8
178.99799	6.0
226.69911	0.8
229.04926	0.9
232.70731	0.9
236.32018	0.8
243.02817	3.7
244.03273	1.1
245.04543	1.7
248.85532	0.8
255.02950	11.4
271.02466	20.7
272.02850	2.5
283.02365	1.4
300.02737	57.6
301.03479	47.0
302.03860	4.5
391.14709	0.8
447.09302	100.0
448.09628	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53854	1.9
59.01242	4.2
61.98705	92.6
69.50278	4.1
69.50697	7.0
71.61806	1.8
83.01250	1.9
83.02399	2.3
83.60572	1.6
86.88126	1.8
96.95910	1.8
120.99556	2.4
136.99194	2.0
156.52838	1.9
167.03438	6.2
191.05540	3.6
193.04965	2.3
219.02950	2.0
227.03453	23.8
232.96225	1.9
255.03003	33.7
256.03516	6.9
284.03290	40.1
285.03857	17.0
313.91031	2.3
447.09308	100.0
448.09845	14.0
511.10425	2.2
538.82330	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
61.98703	100.0
69.33157	0.3
69.33559	1.0
71.01270	0.4
87.00773	0.3
89.02348	0.2
96.95876	0.2
112.21046	0.2
121.02834	0.2
125.02371	0.2
137.06056	0.3
156.11119	0.2
164.48535	0.2
226.26279	0.2
234.43626	0.2
255.02888	0.2
271.02515	0.3
295.09683	0.2
296.10217	0.3
300.02875	0.7
301.03555	0.6
447.09314	1.2
450.16803	0.5
450.23419	0.3
495.19858	0.3
510.21967	2.0
511.33069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98704	100.0
69.33113	1.4
69.33541	0.8
71.01271	0.8
79.33871	0.3
83.67963	0.3
85.58587	0.3
86.91955	0.4
96.95954	0.3
97.30848	0.3
98.20555	0.5
101.02314	0.5
117.30413	0.3
125.02370	0.8
143.22675	0.3
151.00279	0.4
157.12259	0.4
177.09164	0.7
183.75754	0.3
236.49980	0.3
255.03142	0.5
271.02539	0.8
300.02634	1.9
301.03619	1.3
349.20267	0.5
434.17203	0.8
447.09241	2.0
448.09836	0.4
478.16257	0.9
510.35571	1.1
511.33160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	30.6
65.00189	14.7
67.01782	4.6
68.99702	2.9
69.03313	3.2
71.01262	8.4
71.54430	3.2
81.03310	2.8
83.01273	8.5
83.04911	5.7
85.02829	4.6
87.00752	2.8
89.02327	7.8
93.03373	3.7
95.01250	13.3
99.00735	16.3
101.02309	4.0
105.90704	2.7
107.01253	6.6
109.02844	27.8
111.00771	25.8
112.98693	3.5
113.02362	3.3
117.03345	3.8
119.01366	4.5
119.04945	5.0
121.02847	9.8
123.00759	26.7
124.01569	8.2
124.98717	9.6
125.02358	21.7
127.00287	7.5
131.04950	3.4
133.02855	9.6
135.00757	6.6
135.04462	4.0
136.98718	5.5
137.02330	15.5
139.00281	37.8
141.01811	5.3
143.04951	4.8
145.02882	9.0
147.04411	9.5
148.01561	7.7
149.02351	12.4
149.99516	9.4
151.00266	35.3
151.03903	3.3
152.00963	5.1
153.01843	12.0
154.99774	37.7
159.04404	10.5
161.02347	10.8
163.00334	17.5
163.03906	6.4
164.00966	5.1
164.98235	11.6
165.01860	17.6
165.99013	7.1
166.99748	28.4
168.00520	14.2
169.01352	11.2
171.04430	9.1
173.02380	5.1
174.03145	5.3
175.00348	3.5
175.03897	12.7
176.01137	4.6
177.01836	24.4
178.99800	36.3
180.00478	3.8
180.90726	2.9
180.97731	5.5
181.01314	31.6
181.98598	3.6
184.00067	4.0
185.02356	8.4
187.03929	14.9
189.01891	11.9
190.02576	3.8
190.99760	7.1
191.03412	10.8
191.05508	4.7
192.00510	9.1
193.01399	12.1
194.99289	27.4
195.02989	4.0
197.02490	3.4
199.03868	3.5
201.01851	11.3
202.02591	3.1
203.03427	24.4
205.01366	17.3
205.05058	3.4
206.99292	6.8
207.02872	5.6
208.00150	5.8
209.00876	7.9
213.01906	9.8
214.02434	4.4
214.63148	3.0
215.03513	17.0
217.01343	9.3
217.05026	4.2
218.02133	7.8
219.02948	11.7
221.00891	4.9
222.98776	4.4
223.02365	4.0
226.29825	3.0
227.03426	5.3
229.01389	11.7
230.02116	10.0
231.02962	27.0
233.00809	4.6
233.04498	5.2
241.01434	7.7
243.02982	18.0
245.00903	9.7
247.02441	8.4
248.03192	8.3
249.03926	5.6
257.00671	5.8
258.01715	9.2
259.02448	40.4
261.00635	3.5
261.04095	14.5
269.00836	8.5
271.02515	12.5
272.03027	3.6
273.04004	4.0
274.01126	5.1
275.01868	25.3
276.02530	6.8
277.03381	4.7
285.00406	9.9
285.03995	5.7
286.01120	8.6
287.01962	100.0
288.02380	6.5
299.01953	8.5
300.02817	21.0
301.03467	14.8
302.00702	6.8
303.01474	33.1
304.02161	11.1
305.03012	18.0
312.99924	14.1
313.03290	5.0
315.01434	33.5
316.01926	5.4
317.02856	6.3
324.26596	3.1
331.00919	69.2
331.04669	4.9
332.01315	8.3
343.06729	9.2
348.01086	4.4
349.01987	11.0
349.05838	3.5
355.06760	19.1
357.07913	3.3
359.06137	3.7
369.04532	3.2
371.06174	7.4
375.05615	35.7
375.09888	3.4
376.05887	4.1
421.07748	3.7
433.31720	4.1
437.07324	11.2
439.08786	8.9
449.06964	3.7
449.83331	3.4
451.32980	42.7
463.08792	11.5
464.09695	3.4
465.06601	5.2
467.08377	12.2
478.07407	17.5
481.09521	3.7
490.16986	3.6
493.05585	18.4
494.06876	4.0
511.07452	40.5
512.10968	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	9.0
63.02264	2.7
63.66883	2.2
65.00199	4.9
69.30418	17.9
71.01244	8.4
72.99155	3.1
73.02805	2.8
75.00737	2.8
83.01266	4.0
87.00763	2.9
89.02309	3.5
93.03358	3.2
95.01269	6.0
98.19777	4.1
99.00753	3.0
101.02325	4.6
106.00516	2.8
107.01305	7.6
109.02817	3.5
111.00745	8.4
119.04984	3.1
123.00746	10.7
124.01559	4.5
124.98682	3.6
125.02347	11.2
131.03374	3.8
133.02722	2.8
135.00803	2.2
136.98734	3.5
137.02324	9.4
139.00272	15.1
141.01886	2.7
149.02377	3.7
149.99512	3.0
151.00282	19.0
152.00989	3.3
153.01884	3.5
154.99770	10.4
159.04398	6.2
161.02322	5.2
163.00333	5.0
164.98184	5.0
165.01819	5.0
166.99770	9.4
168.00562	2.8
173.04393	2.2
174.03073	2.8
175.03931	9.2
177.01799	7.4
177.99001	2.7
178.99802	50.8
179.03328	2.5
180.00270	3.5
187.03998	11.8
189.01907	6.5
190.02707	4.3
190.99821	6.8
191.03464	6.1
191.05495	8.6
193.01323	11.1
194.99332	6.0
201.01845	4.4
203.03416	16.4
203.12845	6.0
205.01297	7.9
206.99312	3.4
207.02853	3.0
209.00861	4.3
213.01834	3.8
215.03432	7.3
217.01378	7.0
218.02054	5.1
219.02950	10.0
221.00861	3.6
222.98813	4.1
229.01305	9.7
231.02954	11.8
233.00768	3.8
233.04504	4.7
243.02934	5.5
245.00880	8.4
246.01697	5.0
247.02348	5.4
248.03233	14.1
257.00931	6.1
258.01721	2.9
259.02484	24.4
260.02933	2.8
261.00333	12.0
262.01038	2.9
271.02774	2.7
274.01190	5.2
275.01984	6.5
276.02591	5.4
277.03421	2.8
285.00409	5.5
286.01306	2.9
287.01978	41.9
288.02170	4.4
303.01468	33.3
304.02106	11.9
305.02866	6.0
312.96555	2.6
312.99841	13.6
320.01761	3.5
321.02548	2.6
331.00940	100.0
332.01498	12.8
333.02002	3.0
337.09540	2.9
348.01227	15.8
349.01920	7.7
359.06244	5.6
371.06192	6.8
411.09198	6.3
467.08057	3.4
483.07593	4.6
493.06192	26.7
494.06723	4.7
511.07266	53.5
511.14847	3.3
511.23694	22.0
512.07599	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	511.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04198	0.7
57.99745	0.8
67.01766	1.1
69.39520	4.6
73.02818	2.3
74.59380	0.9
75.03425	0.8
83.04903	1.7
85.02840	4.9
87.00758	5.3
93.03339	17.1
101.02354	0.9
109.02837	1.9
111.04391	3.4
119.04913	10.2
127.03845	0.8
137.02345	1.8
145.02835	1.6
147.04376	1.0
155.03368	1.5
161.06032	1.0
163.03917	8.0
171.08017	1.0
173.04485	9.3
173.05901	1.5
189.09160	1.9
191.05545	100.0
192.05907	4.9
193.06398	1.4
195.08165	1.0
200.37662	1.2
211.07466	0.9
213.09145	3.0
231.10150	0.9
232.23950	0.8
242.45184	0.8
247.62663	1.1
293.10254	4.8
319.08179	3.4
337.09283	61.6
338.09625	6.9
351.58386	0.7
443.30734	0.9
511.14572	59.7
512.14960	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	511.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12822	0.7
59.01243	1.5
60.99176	0.9
67.01756	1.8
69.03310	0.8
69.66969	4.1
71.01254	1.6
73.02811	1.4
81.03327	1.1
83.04880	1.7
85.02821	6.1
87.00763	4.3
93.03337	17.2
93.46183	0.7
96.95850	1.4
96.96854	1.0
98.20496	1.4
99.00774	1.2
99.04364	0.9
101.02287	0.8
107.04967	1.0
109.02846	2.1
111.04414	4.7
119.04917	7.7
123.04379	0.9
127.03900	1.2
129.01852	1.3
133.06485	0.8
137.02327	1.0
147.04396	1.5
155.03387	2.0
161.05949	1.1
163.03922	7.0
173.04488	12.0
173.05856	0.7
187.07570	1.5
189.09280	1.5
191.05556	100.0
192.05907	6.5
193.06065	2.5
195.08052	1.9
211.07565	1.1
213.09207	2.5
229.08786	1.0
293.10330	6.1
319.08228	8.5
337.09280	56.6
338.09686	7.0
388.71310	1.0
511.14618	45.4
512.14850	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	511.2702
Annotation	Elegain
Peak:m/z	Relative Intensity
53.71522	0.8
57.03335	11.4
59.01257	5.2
61.25015	1.0
61.98711	1.3
63.84329	1.1
69.03311	1.0
70.69372	2.0
71.01219	1.1
81.03353	1.0
83.04899	1.6
85.02833	1.1
95.01233	1.5
97.02821	1.4
97.06461	16.2
97.99931	1.3
99.00771	1.9
99.04403	2.3
99.59483	1.1
107.04900	1.0
118.94790	0.9
121.02843	1.9
139.07552	12.5
179.10625	1.0
181.06558	5.0
182.07185	1.7
183.08151	1.5
197.09723	6.0
201.96552	1.0
209.11784	2.8
211.11197	3.4
211.13283	1.3
214.06316	2.9
221.09511	1.1
227.12746	2.7
237.12865	2.3
239.14366	1.1
261.12830	1.2
277.15967	11.5
278.16257	2.0
291.17682	1.6
307.20721	9.2
315.19571	2.6
321.14954	27.2
321.22144	3.2
322.15283	2.9
335.16470	4.6
347.23868	2.4
349.21765	4.1
351.19644	100.0
352.19968	16.7
361.17987	2.1
365.21198	81.0
366.21567	12.1
367.22803	5.3
369.20734	3.6
381.24243	1.3
391.22787	24.6
392.23123	4.6
401.20844	1.7
405.28229	1.3
409.23813	37.2
410.24377	4.7
421.27591	2.1
431.25836	9.6
432.26370	2.1
449.26971	34.2
450.27530	7.7
451.32410	2.1
453.22830	10.1
454.23215	2.0
467.28024	2.5
493.26654	1.2
511.27048	20.0
512.27618	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37671	0.6
53.72930	0.6
56.21508	0.7
59.01225	0.8
59.95972	0.8
61.98701	1.1
67.01775	0.9
69.51114	1.3
69.51522	3.0
71.01244	1.5
72.99174	1.2
87.00718	0.9
91.05393	0.8
93.03333	3.8
97.99976	33.5
98.19857	1.5
107.04919	13.4
109.06480	44.3
110.06790	1.7
127.77774	0.7
135.08122	1.6
150.76379	0.8
153.05487	100.0
154.05872	4.0
155.39583	0.8
183.13931	0.9
188.28943	0.6
209.11798	0.9
240.47318	0.7
294.88501	0.7
301.02924	0.9
313.18124	2.7
357.20767	6.4
395.26016	1.5
449.26956	3.1
467.27786	0.8
467.33789	1.1
468.28339	1.0
493.26285	1.9
511.26508	4.0
511.33569	1.2
512.27264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
61.98687	1.2
70.59848	2.0
80.02543	1.1
81.03334	1.5
83.04899	7.3
83.75379	0.8
84.02036	0.8
91.90694	0.7
93.03333	2.0
95.04910	1.2
97.06470	1.5
109.06478	1.4
111.08080	0.8
123.08057	1.5
125.09597	3.4
127.03910	0.9
135.08022	1.7
149.09616	1.9
163.11226	3.6
165.12767	2.2
171.10184	36.7
172.10526	1.7
185.11763	2.3
185.97008	0.8
191.10762	0.9
199.13457	0.8
207.10188	1.4
209.11772	100.0
210.12090	7.6
219.13863	0.7
221.11850	1.1
223.13332	2.6
227.12852	10.4
229.12230	1.1
247.13376	10.5
249.14949	0.8
265.14539	3.7
301.03073	1.0
302.03836	0.8
321.16971	0.9
329.99963	0.8
375.21725	2.6
375.25751	1.1
383.22400	1.0
393.39673	0.9
401.23444	1.8
419.24384	2.0
431.25500	3.0
448.09595	1.6
449.26099	5.2
467.33798	1.0
475.27066	3.8
493.27185	1.4
494.28241	1.1
511.27380	6.0
512.28278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01252	2.0
61.98701	1.1
69.24950	7.0
71.01290	1.0
78.95815	0.9
81.03348	1.9
83.04899	7.4
84.02078	1.2
85.19108	0.8
93.03342	2.2
95.04918	1.1
97.02822	1.1
97.06483	1.4
99.04410	0.9
107.04899	1.0
109.06473	1.5
123.08047	1.5
125.09618	2.8
135.08073	1.4
149.09631	3.1
151.07585	0.8
163.11214	4.2
165.12759	2.9
171.10187	33.9
172.10541	1.8
177.12680	1.0
185.11769	2.1
191.10776	1.1
199.13246	0.9
209.11775	100.0
210.12109	7.1
221.11784	1.4
223.13373	1.1
227.12856	12.4
247.13382	11.0
248.13742	1.5
249.15041	0.9
265.14505	3.6
321.16904	1.0
375.21490	1.3
375.25766	1.5
401.23343	2.0
423.29059	1.8
431.25345	2.3
437.25259	0.9
448.09882	1.0
449.26385	6.9
467.27988	2.4
470.09937	1.0
475.26923	4.9
493.27390	2.4
511.27377	9.2
512.28174	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	511.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70265	0.8
54.22797	0.8
57.03307	0.9
59.01238	1.1
61.98708	1.5
83.04888	0.8
98.20686	1.8
152.21497	0.9
153.05553	1.0
223.14864	3.6
226.34503	0.9
265.40616	0.9
303.21088	3.2
333.25861	6.8
334.26328	1.1
337.65082	0.8
375.97647	0.8
377.24866	100.0
378.25159	17.3
421.23712	9.9
449.26862	1.3
453.26572	10.0
454.26752	2.7
467.33856	1.1
511.26303	1.8
511.33484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83824	0.7
53.54355	0.5
59.01255	25.3
70.40071	1.9
93.20979	0.5
97.06516	0.6
99.04398	16.5
109.27419	0.6
125.33397	0.6
137.06056	0.6
139.86642	0.5
218.13808	0.6
290.93088	0.6
293.87720	0.8
308.39917	0.6
367.30063	2.4
451.32184	90.6
452.32529	19.0
469.33337	1.1
476.24521	0.7
511.34290	100.0
512.34625	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2857
Annotation	fijianolide A
Peak:m/z	Relative Intensity
53.35823	0.7
59.01247	0.7
62.02215	0.6
69.77675	0.6
71.01257	0.7
83.04906	0.7
87.00746	10.2
98.19777	2.0
99.35384	0.7
108.00939	0.7
109.06483	0.8
117.82526	0.6
125.05936	0.9
139.07581	0.9
153.05528	0.8
173.94771	0.7
176.23376	0.7
176.44243	0.7
229.60353	0.7
277.21710	1.5
321.25925	1.3
323.23914	1.0
327.23303	1.0
339.26929	2.8
363.23642	0.8
365.24857	21.0
366.25085	3.1
367.22803	11.5
368.23346	1.0
379.22696	1.9
383.25900	45.4
384.26303	6.8
393.24463	6.2
394.24561	0.8
405.28070	1.6
405.70016	0.8
423.29150	1.2
433.27469	1.5
437.23294	2.0
451.28741	1.0
455.24414	22.9
456.24707	3.7
469.29654	1.6
495.27466	1.8
513.28589	100.0
514.28973	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
57.03335	0.1
57.10734	0.1
58.00463	0.3
59.01249	6.8
65.33753	0.1
67.56187	0.1
68.56105	0.1
69.03339	0.1
69.28197	0.2
69.28598	0.3
71.01254	5.5
72.99166	0.3
73.02816	1.2
75.00753	0.1
81.03333	0.1
83.01251	0.6
83.04890	0.2
85.02821	1.1
87.00747	0.7
89.02314	3.9
90.02685	0.1
91.03912	0.2
95.01273	0.4
97.02805	0.3
99.00752	0.3
101.02321	5.0
102.02682	0.1
103.03911	0.1
113.02328	2.3
113.05981	0.1
114.02640	0.1
115.03886	0.1
118.07681	0.0
119.03395	1.1
125.02345	0.2
127.03931	0.1
127.07539	0.3
131.03401	0.2
133.04971	0.3
141.09158	0.1
143.03386	0.4
145.04926	0.1
149.04422	0.1
152.99541	0.1
156.83105	0.1
157.05016	0.2
161.04459	1.7
162.04869	0.1
175.02069	0.1
179.05544	0.6
183.20242	0.1
187.06113	0.1
205.19507	0.1
225.13715	0.1
233.22778	0.4
235.08179	1.1
253.09267	16.6
254.09634	1.0
259.20663	0.3
275.20105	0.4
277.21713	100.0
278.22052	12.8
469.37408	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51399	0.1
55.01739	0.4
57.03310	0.1
58.00479	0.2
59.01252	6.0
59.50273	0.2
61.98700	0.1
62.79068	0.1
66.08456	0.1
69.03319	0.1
69.28218	1.0
71.01252	5.0
72.99171	0.4
73.02827	1.0
78.95781	0.8
83.01261	0.4
83.04884	0.2
85.02814	1.2
85.99933	0.2
87.00749	0.7
87.19159	0.1
89.02318	3.7
91.03905	0.2
95.01257	0.2
97.02826	0.3
98.20336	0.5
99.00755	0.2
99.57075	0.1
101.02322	4.8
104.16697	0.1
106.06545	0.1
113.01616	0.3
113.02339	2.5
119.03404	1.0
125.02350	0.2
127.07501	0.2
131.05809	0.1
133.04961	0.4
143.03407	0.5
152.99480	1.4
161.04459	1.9
179.05489	0.6
183.68648	0.1
205.19695	0.1
208.14432	0.2
233.22833	0.3
235.08173	1.1
253.09264	15.5
254.09657	0.8
259.20630	0.5
259.45245	0.2
275.20175	0.5
277.21713	100.0
278.22070	11.9
283.34555	0.1
310.14380	0.1
431.21744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
61.98703	100.0
62.98401	0.2
70.85238	0.3
72.61883	0.1
85.02856	0.1
102.05486	0.1
109.02872	0.2
112.34669	0.1
128.03423	0.2
133.02858	0.2
135.04425	1.0
161.02351	0.2
173.04498	0.2
178.99742	0.1
179.03419	1.0
191.05540	1.9
224.38916	0.1
293.47861	0.1
300.93729	0.1
334.03677	0.3
353.08835	1.1
384.41217	0.1
453.33722	0.4
454.33972	0.7
514.09784	0.4
515.11890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65337	0.8
55.98473	0.7
59.01254	3.0
61.98708	3.2
67.01749	1.1
69.24115	3.7
69.24523	2.5
71.01251	1.4
79.95609	8.7
80.96407	1.2
81.03310	1.0
85.02807	4.5
87.00764	3.1
93.03352	7.4
96.95913	2.4
98.19832	1.6
107.04913	33.8
108.02072	1.1
108.05251	0.9
109.02837	6.9
111.04415	2.0
119.04980	0.9
121.02845	15.7
121.06527	1.1
122.03633	20.4
123.03946	1.5
124.01510	1.7
127.03905	2.4
133.02861	7.0
135.04416	12.1
136.04768	0.9
137.02367	3.7
141.57414	0.8
145.02916	0.9
147.04456	1.5
149.06000	0.9
151.03911	2.0
154.02646	4.5
155.03403	0.9
161.02356	3.4
161.06020	1.4
172.74377	0.7
173.04489	6.2
173.87402	1.0
175.03903	1.1
179.03410	9.4
187.03935	2.4
191.05545	72.8
192.05888	3.2
216.61525	0.8
227.07132	4.4
229.08656	47.2
230.08945	4.1
237.05515	1.3
239.03542	1.3
241.00223	1.5
243.06612	1.1
255.06619	38.1
255.09334	1.8
256.07019	3.2
271.09766	1.8
273.07690	76.5
274.08017	7.3
281.04541	2.0
295.06015	1.4
297.07718	1.5
309.04486	1.8
315.08856	1.0
323.05560	3.6
335.02332	35.1
335.06912	1.1
335.07895	1.7
336.02682	3.2
341.06412	1.1
353.03363	100.0
353.08395	4.5
354.03601	10.0
435.12943	4.4
436.13028	1.0
515.07965	33.2
516.07935	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	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90455	0.4
59.01247	1.8
61.98695	0.5
67.01759	0.5
71.01231	0.7
71.03202	0.9
73.02836	0.6
74.98620	0.4
78.98735	0.4
81.03367	0.4
83.04934	0.7
85.02826	6.3
87.00767	1.8
91.39018	0.4
93.03331	5.4
107.04911	1.3
109.02842	0.9
111.04408	1.9
127.03898	2.0
133.02846	2.6
133.17975	0.4
134.03638	3.5
135.04417	52.7
136.04762	2.7
137.02371	1.0
155.03392	2.2
159.95775	0.4
161.02339	6.5
162.02686	0.5
171.02960	0.5
173.04480	8.7
179.03423	48.2
180.03761	2.9
191.05547	100.0
192.05898	4.4
308.08673	0.4
335.07739	1.6
348.29965	0.4
353.08774	74.6
353.59082	0.5
354.09116	7.5
503.72531	0.5
515.11676	0.8
515.31879	0.5
534.67773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
69.36279	1.9
69.36707	1.9
71.01234	0.6
85.02818	6.6
87.00742	1.2
92.95213	0.6
93.03336	3.8
107.04897	1.2
111.04392	2.2
111.78662	0.6
127.03912	2.2
133.02817	1.4
134.03625	4.5
135.04419	54.0
136.04733	2.9
138.02956	0.6
155.03416	1.6
161.02368	5.6
171.02821	0.7
173.04471	4.4
179.03423	49.2
180.03761	2.8
191.05542	100.0
192.05875	4.2
192.14661	0.6
238.82617	0.7
327.99564	0.6
353.08774	70.7
354.09174	6.6
486.22772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01251	1.6
60.99178	1.7
61.98696	1.1
67.01776	4.3
69.03329	1.1
71.01254	2.3
73.02830	0.5
75.43110	0.5
81.03331	1.3
83.04914	0.9
85.02827	9.3
87.00763	8.7
91.19731	0.4
93.03346	34.1
94.03683	0.9
96.95924	0.5
97.77805	0.5
99.00769	0.8
99.04405	0.6
107.04919	1.6
108.02096	0.5
109.02845	31.7
110.03173	1.0
111.04409	4.7
119.04880	0.6
121.02885	0.7
122.03631	0.7
127.03918	1.6
129.01848	1.3
133.02875	0.9
134.03636	0.5
135.04433	10.0
137.02328	0.9
144.25760	0.5
145.02861	14.1
146.03532	0.8
147.04378	0.6
150.03166	0.6
151.03891	1.5
155.03435	2.3
159.04466	2.3
161.02376	5.5
161.06013	9.3
162.06409	0.7
171.02847	0.6
173.04497	12.3
174.04918	0.6
175.03931	0.7
179.03429	9.3
186.03159	1.1
187.03966	12.9
188.04271	1.2
191.05559	92.0
192.05922	3.9
195.06535	0.6
205.05026	1.2
211.04066	0.8
213.01924	3.6
214.02628	2.1
215.03249	0.5
223.03871	0.6
225.05537	1.0
229.08661	1.6
231.02841	0.5
235.04012	0.6
237.05571	2.1
239.03531	3.0
240.04163	1.7
253.05013	3.4
253.08861	0.7
254.05347	0.7
255.06657	6.1
256.06973	0.7
264.04367	0.8
271.09772	0.6
273.07657	2.3
279.03024	4.5
279.06400	0.9
280.03671	1.9
281.04581	12.5
282.04895	1.5
297.07660	6.6
298.08081	0.9
305.04532	0.7
323.05646	13.8
324.05801	1.3
335.02332	1.4
336.02676	0.5
341.06696	13.7
342.07013	1.4
353.03381	3.1
353.08664	1.7
386.01840	0.5
515.12000	100.0
516.12439	15.5
534.62860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55567	0.3
51.64284	0.3
57.03336	0.3
59.01260	1.3
67.01771	0.6
69.03328	0.3
69.25058	2.2
69.25471	0.5
71.01259	0.8
73.02804	0.3
81.03339	0.6
83.04903	0.9
85.02831	7.5
87.00763	1.5
88.29213	0.3
91.05425	0.4
93.03335	5.2
107.04929	1.3
109.02847	0.6
111.04393	2.3
127.03921	2.2
133.02879	1.9
134.03648	4.3
135.04427	56.4
136.04778	2.5
137.02332	1.0
153.63084	0.3
155.03410	1.8
155.66246	0.3
161.02371	6.2
162.02695	0.6
173.04486	11.9
174.04781	0.4
179.03433	50.4
180.03790	2.9
191.05554	100.0
192.05894	3.5
241.58673	0.3
252.57787	0.3
335.07852	1.5
353.08792	63.8
354.09088	6.2
515.11548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.5
57.86818	0.4
59.01214	2.0
61.98668	0.7
67.01742	1.1
69.47464	0.9
69.47858	1.8
69.92417	0.5
71.01215	1.6
73.02785	0.7
73.36237	0.5
74.82816	0.5
76.84286	0.5
79.95580	1.9
81.03299	0.7
83.04858	0.9
85.02824	9.1
87.00758	2.7
93.03343	8.5
96.95882	3.0
97.98534	0.5
98.20560	1.0
107.04887	6.2
109.02834	6.9
111.04406	2.9
113.02300	0.6
121.02852	3.2
122.03640	3.2
127.03872	2.2
132.33006	0.5
133.02824	2.8
135.04424	5.9
137.02310	1.5
145.02861	2.5
149.06061	0.6
151.03864	0.6
154.02580	0.6
155.03363	1.0
156.70981	0.5
159.04352	1.3
161.02354	2.5
161.05989	2.0
170.81477	0.6
171.02837	0.6
173.02328	1.5
173.04494	6.5
175.03903	1.4
177.01709	0.6
179.03458	4.5
183.32899	0.5
186.03146	1.7
187.03951	8.5
188.04305	0.7
191.05540	100.0
192.05875	4.4
196.11659	0.5
201.01872	1.6
213.01910	1.6
214.02711	2.0
227.07057	1.6
229.08650	8.9
230.09177	0.7
237.05600	0.9
239.03474	2.0
240.04251	0.6
243.06619	1.7
253.05028	1.5
255.06625	8.1
256.07068	0.9
267.60538	0.5
273.07697	15.3
274.08084	1.5
279.03040	3.1
279.06311	0.8
280.03851	0.9
281.04520	5.5
286.00305	0.6
295.06027	0.6
297.07538	2.5
309.04318	0.8
323.05548	9.4
323.08893	0.7
324.05963	0.8
335.02475	6.2
335.07693	1.0
341.06619	6.9
341.10464	0.4
342.07104	0.8
353.03522	21.5
353.08786	3.8
353.99759	0.6
354.03925	1.7
393.08575	1.9
435.13022	1.3
488.24631	0.5
515.12274	29.7
516.12579	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	515.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67492	1.4
53.08456	1.5
56.60317	1.3
59.01257	20.2
69.76717	1.2
69.77356	6.0
71.01254	18.5
73.02825	21.0
81.03350	2.7
83.04893	7.9
84.49332	1.4
85.02833	4.5
89.02320	22.4
93.03340	52.7
94.03681	3.7
99.00774	5.4
99.04404	5.2
101.02321	8.8
105.71085	1.4
111.04417	22.6
113.02318	7.2
114.08525	1.6
119.03388	6.7
129.01840	3.1
137.02351	16.9
143.03407	6.1
155.03418	15.9
161.04512	3.5
173.04483	100.0
174.04811	3.6
179.05576	9.0
341.10898	55.4
342.11371	3.3
536.50574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76216	1.5
53.92533	1.5
57.03318	1.3
58.00472	3.1
59.01257	30.9
65.03854	1.5
67.62729	1.3
69.03351	2.1
69.28146	1.3
71.01260	25.8
72.99200	1.7
73.02823	37.0
75.87337	1.7
81.03335	4.4
83.04900	13.6
85.02824	11.1
87.00734	2.1
89.02322	31.2
89.02840	2.6
93.03342	90.0
94.03656	2.6
95.01299	1.8
99.00758	11.2
99.04411	13.5
101.02336	13.7
109.02850	2.7
111.04406	38.8
112.04719	2.2
113.02325	10.3
119.03391	9.2
120.94068	1.4
129.01826	5.6
137.02356	23.8
143.03479	8.9
155.03413	19.1
161.04501	3.4
173.04480	100.0
174.04796	5.4
179.05531	11.9
191.05530	1.9
249.81868	1.5
261.63461	1.7
341.06766	3.1
341.10886	52.7
342.11319	4.9
427.10236	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	515.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35771	11.5
59.01239	18.3
61.98705	16.3
70.03022	48.5
71.01252	15.0
87.00728	13.2
98.20081	22.0
106.61451	11.2
110.11077	11.5
140.01291	12.0
173.04491	17.7
181.13766	11.4
191.05540	22.4
255.13744	10.3
305.54269	11.8
353.08722	13.7
375.19846	12.2
399.25385	12.6
413.26965	16.5
427.28308	12.4
441.00854	12.0
453.30508	22.5
471.31168	19.5
515.30164	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	515.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18512	0.4
57.03323	0.7
58.00460	0.8
59.01252	100.0
60.01599	1.3
61.98709	1.2
67.68259	0.4
71.00862	0.4
71.01250	10.5
71.01613	0.8
71.09405	0.7
72.99188	0.5
73.02824	2.3
81.03370	0.6
81.89978	0.6
83.01283	1.4
83.04903	0.6
85.02821	4.0
87.00780	1.1
87.04405	0.5
89.02319	7.8
95.01281	0.8
96.22440	0.4
96.32732	0.5
96.95928	0.9
97.02803	0.6
97.06464	0.8
99.00772	1.1
99.04402	1.0
101.02327	7.4
111.04408	0.5
113.02332	5.0
119.03405	4.1
125.05957	0.6
127.03907	1.1
135.04468	1.3
139.07562	0.7
143.03421	1.2
161.04480	4.8
163.07545	0.6
173.04572	1.1
179.03459	1.0
179.05515	2.3
191.05559	3.2
257.02438	0.5
265.37051	0.5
271.03018	0.5
293.15204	0.5
341.10364	0.6
353.09006	1.7
353.23306	0.7
437.25574	0.8
455.26419	8.3
456.27090	1.3
470.98514	0.5
471.33450	0.8
515.28021	5.7
516.29321	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	515.3014
Annotation	Probucol
Peak:m/z	Relative Intensity
50.91960	0.6
52.30282	0.6
57.03327	6.9
58.09394	0.6
59.01241	1.9
69.03339	3.5
70.09134	2.2
71.01257	1.9
72.99181	16.1
83.04866	0.7
85.02831	0.8
93.03326	0.6
99.04427	0.6
101.02335	1.1
101.30898	0.6
113.02347	0.7
131.11241	0.6
135.04405	0.8
161.04457	0.8
161.09586	1.9
173.04512	0.9
191.05544	1.6
268.59576	0.6
283.20630	0.5
307.24103	0.8
333.26004	3.1
335.07379	0.6
341.21024	0.6
343.22772	1.0
351.23273	6.8
351.27014	2.3
352.23669	1.1
353.08777	0.8
353.21292	1.8
365.24896	0.9
367.22656	1.3
369.24213	3.6
370.24762	0.8
377.24872	5.8
378.25110	0.9
379.22794	1.2
383.25726	2.3
395.25888	23.4
396.26324	4.6
413.27161	2.1
421.23782	1.4
435.29599	0.9
439.24930	10.6
440.25165	1.8
453.30057	2.1
457.25946	23.1
457.32352	1.1
458.26358	4.0
471.31201	2.0
515.30139	100.0
516.30481	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3017
Annotation	Probucol
Peak:m/z	Relative Intensity
53.39384	0.8
55.54836	0.7
57.03324	9.9
59.01252	5.8
61.98703	2.5
69.03323	3.0
69.40906	5.1
71.01254	5.5
72.99178	7.0
73.02819	0.9
83.04900	1.4
89.02282	1.7
90.13346	0.7
93.98260	0.7
95.04931	0.8
98.20277	3.1
99.04393	1.1
101.02312	1.8
105.03622	0.8
109.06477	1.7
113.02370	0.8
113.27980	0.7
131.03403	0.7
135.04410	1.4
161.04472	0.9
161.09624	2.5
179.03444	1.2
191.05586	2.6
191.38197	0.7
192.92961	0.8
220.89877	0.7
223.14841	1.7
307.24329	2.1
333.25803	6.0
343.22867	1.6
351.23297	10.8
351.27051	2.8
352.23639	2.6
353.08792	1.1
353.21130	1.8
365.24875	1.0
367.22418	0.9
368.22983	0.9
369.24414	3.1
377.24725	8.4
378.25150	0.9
379.22903	1.5
383.25681	2.5
393.24557	0.8
395.20700	1.6
395.25912	33.0
396.26154	5.7
409.27496	1.1
413.27136	4.0
435.29138	2.2
439.24850	28.1
440.25113	4.5
448.30905	0.7
453.30048	3.3
457.25995	16.0
458.26324	2.9
471.31110	2.5
497.29077	1.0
515.30157	100.0
516.30481	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38210	0.5
57.03321	1.1
59.01251	1.6
60.99162	1.0
67.01759	2.3
69.34755	4.6
71.01247	1.8
73.02864	0.6
83.04901	0.6
85.02817	9.3
87.00742	4.2
92.44328	0.6
93.03337	18.3
94.03695	0.9
108.02040	2.2
109.02844	7.3
111.04384	3.0
119.04905	2.5
121.02866	0.7
122.03644	1.4
123.04428	0.6
127.03922	1.5
133.02936	0.7
134.03595	0.8
135.04414	13.3
137.02327	1.2
145.31288	0.7
161.02321	1.7
163.03891	1.3
173.04472	9.7
179.03424	9.0
180.03775	0.9
191.05537	100.0
192.05870	4.7
226.06306	2.9
227.07065	3.4
239.07132	1.2
255.10274	19.8
256.10590	1.4
289.05646	2.2
325.07944	0.8
337.09277	1.8
339.03534	0.9
343.08252	11.4
344.08685	1.2
353.09161	1.0
473.14648	5.2
474.15353	0.7
517.13538	18.6
518.13867	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29588	0.7
53.10673	0.6
56.48588	0.7
57.03319	1.1
59.01253	13.9
60.25536	0.5
61.98693	0.9
71.01257	13.5
72.99159	0.9
73.02814	3.5
78.33853	0.6
83.01273	0.8
83.04896	0.8
85.02825	3.3
87.00761	0.9
87.04368	1.2
89.02314	15.9
93.03335	1.6
95.04914	1.0
96.95898	1.5
97.02793	1.0
99.00750	2.2
101.02315	7.6
104.87903	0.6
109.02850	0.9
109.06484	0.9
111.04418	1.3
111.11591	0.6
113.02333	2.3
119.03438	0.8
120.99548	1.7
123.08071	0.9
125.02335	4.5
125.05944	1.4
129.01881	1.0
131.03403	12.8
133.10135	2.0
135.04379	3.2
135.11699	14.6
136.12062	0.8
149.04434	7.4
151.00304	0.9
159.11641	0.8
161.02367	1.6
161.09660	3.4
173.04466	3.0
174.04813	1.1
177.12743	1.4
178.99738	1.0
179.03403	2.5
179.10699	100.0
180.03712	0.7
180.11011	5.9
191.05550	12.1
192.05843	1.0
196.37949	0.7
205.08661	1.2
207.24442	0.6
221.11829	1.8
223.09705	51.3
224.09985	4.6
241.50096	0.7
242.33533	0.8
259.42947	0.6
265.10721	3.1
271.02707	1.0
276.69690	0.7
332.93665	0.7
353.08765	1.1
354.09061	1.2
355.09409	2.6
453.84946	0.7
473.31296	3.2
517.19659	3.2
517.34210	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	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.0
63.34367	0.8
69.74064	4.2
71.01254	11.8
72.99200	1.3
73.02812	2.3
75.00750	0.9
85.02818	2.2
87.04406	1.3
89.02314	13.2
93.03318	1.8
96.95871	1.7
99.00753	2.5
101.02325	7.8
103.82867	0.8
109.02866	0.8
113.02330	2.5
119.03389	1.1
120.99548	1.6
125.02287	3.7
131.03389	11.4
133.10110	1.5
135.04413	2.7
135.08025	0.9
135.11694	15.6
136.12036	1.2
149.04451	6.4
159.08170	0.9
161.09625	3.5
161.13220	0.8
168.12680	0.8
169.65848	0.9
173.04501	2.3
175.11226	1.0
177.12759	1.3
178.01331	1.1
179.03441	1.2
179.10699	100.0
180.03773	1.0
180.11044	6.2
191.05544	11.9
192.05817	1.4
193.05974	0.8
193.12230	1.3
203.10623	1.0
208.53398	0.8
221.11760	1.5
223.09712	48.8
224.10011	3.3
248.18489	0.9
265.10635	3.9
271.09760	0.8
282.24527	0.8
293.08728	1.7
301.03345	1.1
354.08957	2.1
355.09467	2.3
371.06113	0.9
404.02350	0.8
473.31146	4.2
517.19104	3.1
517.33551	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	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64366	0.9
57.03326	2.7
59.01260	19.6
61.59360	0.9
61.98722	1.9
65.72343	0.9
71.01261	9.9
71.54370	1.3
72.99189	1.7
73.02837	3.2
81.03341	2.3
83.04903	1.7
85.02820	5.6
86.61715	1.0
87.00765	1.4
89.02334	9.5
90.70226	0.9
93.03324	2.8
94.80620	0.9
96.94178	0.9
96.95921	3.2
97.02806	1.5
101.02346	5.3
106.62171	0.9
107.04922	0.9
109.06488	2.1
111.04449	1.5
113.02304	2.4
119.04913	1.9
123.08073	1.7
125.02356	7.5
125.06012	4.9
130.06554	2.3
131.03403	4.5
135.04414	2.4
135.11716	14.5
145.02859	1.6
149.04456	3.2
151.00348	1.6
159.11679	1.4
161.02449	1.7
161.06058	1.0
161.09631	2.9
163.03986	1.6
165.09132	16.9
173.04433	2.0
177.12836	1.7
179.03465	1.7
179.10713	100.0
180.11066	6.3
191.05513	7.2
191.07108	3.3
205.04955	1.5
209.08160	61.6
210.08524	3.9
223.09718	50.7
224.10060	3.1
251.40767	1.1
265.10815	2.0
355.02921	1.6
372.13123	4.9
455.30325	1.5
473.31238	8.7
517.19153	11.1
517.30316	1.6
518.17493	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15694	1.0
57.03329	1.2
59.01249	13.9
61.98696	2.7
67.43898	0.9
69.03329	1.6
69.53234	4.5
71.01255	7.2
73.02815	3.5
79.03024	1.1
85.02843	3.1
89.02334	7.9
96.95914	2.7
101.02326	7.6
113.02316	2.0
113.56479	0.9
115.28889	1.0
121.06502	1.0
125.02358	1.5
125.05951	1.2
131.03391	8.7
133.10103	1.4
134.67175	1.0
135.04390	2.0
135.11693	15.3
149.04442	4.3
159.08159	1.3
159.11725	1.4
161.09607	3.9
173.04416	1.8
179.10704	100.0
180.11031	6.0
191.05513	7.2
209.69034	1.0
223.09717	76.6
224.10019	5.4
238.59410	1.1
259.81815	1.1
265.10834	2.5
310.95682	1.0
320.70740	1.0
380.86401	1.0
473.30743	2.3
517.19189	4.3
517.30261	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	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
58.00475	1.0
59.01260	18.7
59.47995	0.9
64.54247	0.9
69.03317	1.2
71.01261	9.8
73.02819	4.7
77.05720	0.9
83.04900	1.3
85.02836	3.5
89.02341	12.5
89.02854	1.7
93.03365	1.5
96.95916	2.9
97.02821	1.6
97.06468	1.1
99.00755	1.2
101.02335	6.2
109.06474	1.0
111.04385	1.0
113.02363	2.0
119.03400	1.1
125.02340	3.5
125.05981	1.3
130.28081	0.9
131.03401	9.1
133.10141	2.0
135.04480	4.3
135.05345	1.0
135.11705	14.4
136.12048	1.1
148.05194	1.9
149.04503	6.3
153.76985	0.8
159.08124	1.4
161.02380	2.2
161.09633	4.6
173.04465	1.5
177.01828	1.3
177.12650	1.1
179.03523	1.2
179.10719	100.0
180.11067	6.0
191.05568	6.9
221.11707	1.3
223.09738	79.8
224.10072	7.0
233.06726	1.9
263.33282	1.1
263.95712	0.9
265.10718	1.4
267.66537	1.0
293.08807	4.2
335.76004	0.9
455.30420	1.4
473.31137	7.0
475.16568	1.4
517.18347	7.4
517.29919	2.3
518.19110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15591	43.2
70.30212	100.0
70.30609	99.1
75.46314	46.8
98.19891	53.8
100.88792	42.9
142.93892	46.2
273.73743	45.6
333.95541	57.7
424.13525	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	517.3173
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
56.19347	0.7
57.03317	2.8
59.01240	1.6
66.10456	0.6
69.44776	4.0
72.99178	5.5
74.02358	0.9
82.77460	0.6
95.86082	0.8
96.95900	1.8
106.84649	0.8
121.02850	1.0
175.40996	0.8
221.73021	0.8
279.67722	0.7
383.25565	1.1
395.25970	6.4
396.25946	1.1
435.29105	1.4
441.26477	4.6
453.30130	0.8
459.27563	7.7
460.27936	1.7
481.29620	1.4
499.30701	12.6
500.30966	3.2
517.31714	100.0
518.32074	20.0
529.22028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3171
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
57.03320	3.5
59.01257	10.2
61.98684	1.0
66.90971	0.9
71.01256	1.8
71.53648	1.2
85.02834	0.8
96.95874	2.9
107.04906	0.7
125.02348	2.0
141.88181	0.8
267.18103	0.9
290.62878	0.8
326.25201	0.8
335.27505	1.0
353.28906	1.0
367.22729	1.0
369.24417	2.5
379.26608	1.7
395.25989	7.8
396.26337	1.5
397.27319	6.1
404.59485	1.0
423.25516	2.2
435.29013	1.7
437.30420	3.4
439.24692	1.7
441.26505	17.3
442.26917	2.9
459.27518	3.3
460.28064	1.1
479.28143	1.6
481.29623	7.9
482.30145	1.4
497.29260	1.2
499.30676	50.8
500.30838	7.7
517.31732	100.0
518.32086	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30512	0.2
55.72973	0.2
62.96282	0.2
71.53983	0.3
78.95784	46.9
84.61926	0.2
96.96847	5.7
107.38599	0.2
115.16526	0.2
117.07853	0.2
139.16954	0.2
145.92851	0.2
150.97931	1.8
152.99503	100.0
153.99831	1.9
171.00577	4.4
175.84856	0.2
186.90630	0.2
277.21793	0.7
307.03775	0.2
431.22049	21.2
432.22372	2.4
518.25287	3.0
519.25848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00059	1.1
59.01247	4.5
65.99719	1.3
69.03329	2.0
70.03017	4.5
71.01247	5.9
72.35542	1.2
72.99178	1.2
73.02816	3.2
83.01289	1.3
85.02834	3.6
89.02296	1.6
91.82773	1.3
93.03316	3.0
95.01240	3.0
99.00801	3.0
101.02338	1.6
101.05965	1.6
102.94486	1.6
105.79151	1.2
107.01267	3.0
108.02073	1.7
109.02834	4.5
111.00749	2.1
112.80218	1.1
113.02332	1.7
115.07523	2.0
121.02873	6.3
123.00808	6.0
124.01563	1.4
125.02312	1.9
132.15259	1.2
133.02838	1.6
134.02454	1.6
135.00826	1.3
136.01566	68.1
137.02261	4.6
139.00311	4.1
139.11160	1.3
144.74197	1.2
147.00832	1.5
148.01544	5.0
149.02357	4.1
151.00259	5.5
151.03918	100.0
152.00957	2.3
152.04224	4.7
153.01790	3.3
159.04416	1.6
160.05106	2.1
161.02357	3.0
161.04494	2.1
162.01859	2.0
163.00279	2.2
163.03966	1.6
164.01021	2.0
164.03459	1.8
164.98222	1.7
165.01828	1.9
165.98985	2.2
166.99782	4.4
169.01274	1.6
175.03889	2.3
177.01819	3.1
178.01335	2.4
178.99803	6.7
179.03386	1.3
180.02928	1.7
187.03870	2.0
189.01903	1.5
190.99731	2.4
191.05573	19.2
192.00540	2.0
193.01430	7.2
194.99416	1.5
199.04051	2.0
202.01375	3.4
203.03389	2.2
204.02907	2.6
206.00931	1.7
209.00618	1.3
215.03381	2.0
217.01401	1.5
218.00851	1.8
227.03439	1.9
242.02094	1.9
243.02884	3.4
245.04352	1.4
271.02457	5.7
284.05609	1.7
287.01962	4.0
288.02499	2.0
289.03738	1.5
294.04077	1.6
300.02692	5.6
301.03378	4.5
302.03882	1.2
310.03592	3.5
312.04993	1.9
315.01431	6.1
316.02225	3.1
317.03143	2.4
338.03110	4.3
342.10999	5.1
355.03198	4.4
355.06979	1.8
356.03986	8.6
357.13440	92.7
358.13757	13.5
372.03403	2.9
373.04111	4.1
374.05133	3.7
384.09378	2.1
394.07535	2.2
410.07108	2.3
431.34152	3.1
447.09311	4.1
475.32587	24.7
476.33069	3.0
479.08243	3.4
493.10034	3.5
502.09460	6.3
519.09674	3.0
519.35101	3.0
520.10950	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	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01751	0.9
57.03308	0.6
58.00458	0.6
59.01252	14.0
61.98708	1.2
69.03328	0.4
70.87704	0.3
70.88027	0.4
71.01254	9.1
72.99171	0.4
73.02810	1.8
80.81271	0.2
83.01269	1.3
85.02827	3.9
87.00752	1.0
89.02310	3.3
93.03321	0.4
95.01254	0.8
96.82883	0.2
96.83482	0.3
99.00747	0.7
101.02324	5.3
102.02673	0.3
106.98889	0.3
111.00752	0.4
113.02316	2.4
119.03384	1.0
125.02391	0.5
131.03426	0.3
141.12680	0.3
144.07370	0.2
176.28513	0.3
185.11766	2.2
191.05545	3.3
199.04044	0.3
205.12268	0.3
209.11748	0.6
223.09741	0.4
223.13342	0.9
228.23711	0.3
267.23892	0.3
279.23337	0.3
281.10495	0.3
283.13275	0.3
297.24304	0.8
309.24377	3.0
310.24661	0.3
321.24182	0.4
325.24036	0.5
327.21631	0.5
327.25397	8.5
328.25729	0.9
339.25418	7.3
340.25751	0.6
355.24860	0.5
357.22971	0.7
357.26453	21.1
358.26782	2.9
364.93735	0.3
399.14569	0.9
399.27478	0.4
417.24829	0.7
461.55713	0.3
489.19113	0.3
489.30661	2.3
490.31134	0.4
495.20377	0.4
501.30847	1.3
504.20938	0.6
519.31732	100.0
520.32068	18.3
535.76447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45752	2.2
59.01245	12.0
60.97718	2.3
61.72675	2.1
65.00198	3.1
65.99718	4.0
66.02058	2.0
71.01247	8.8
83.01257	3.1
85.02824	3.4
86.41782	2.0
89.02305	6.1
93.03356	5.0
95.01263	4.8
101.02319	4.7
105.69350	2.0
107.01266	5.7
108.02072	3.4
109.02839	23.6
118.02915	4.6
121.02827	9.4
123.00779	7.6
123.04409	2.4
124.01583	6.1
125.02334	4.6
133.02838	6.0
134.02382	11.5
135.00801	7.2
135.04425	2.1
137.02339	22.7
138.45958	2.0
139.00320	3.1
146.02376	4.6
147.00775	3.3
147.04350	2.7
148.01547	30.1
149.02382	15.9
151.00305	17.4
152.01010	4.6
153.01859	3.5
158.02394	4.2
159.04367	3.1
161.02342	2.9
161.67519	2.2
162.01857	22.1
163.00282	11.0
163.02625	4.2
163.03905	4.0
164.01027	5.2
164.03409	12.1
166.99797	4.6
167.03412	4.4
174.03148	3.0
175.00287	7.6
176.00943	2.7
177.01859	71.0
178.99728	11.7
179.03401	3.3
186.01862	12.0
189.01869	3.9
190.01376	7.5
191.01994	4.4
193.01402	3.6
199.03870	5.0
201.01923	2.5
201.05402	2.6
202.01375	2.6
202.99831	8.6
203.03589	3.5
204.02963	41.6
211.04018	3.0
215.03462	4.8
216.03970	3.0
227.03468	6.9
229.56403	2.4
230.00899	15.6
241.05127	2.7
242.02190	3.5
243.02951	13.5
250.05168	2.4
255.02959	7.6
256.03467	3.6
259.02307	3.5
266.04578	3.8
267.03012	2.9
270.01691	2.6
270.04404	2.4
271.02393	25.7
272.02924	5.2
273.03979	7.0
284.03156	3.8
285.04071	6.3
287.01920	3.9
294.04086	9.9
295.02457	5.4
299.01953	31.2
300.02594	8.4
310.03638	3.8
311.07721	5.6
312.02423	3.6
313.03488	18.1
316.02145	14.9
317.02887	21.4
322.03598	17.2
324.04852	3.0
329.08859	3.6
339.03839	22.8
340.04599	46.0
341.04977	6.5
343.06598	6.8
355.06766	15.0
357.04852	7.0
358.05582	8.9
384.09381	41.4
385.09799	5.5
410.07306	27.4
411.07523	3.1
461.06842	3.2
479.08066	16.0
480.08484	4.1
502.09842	36.3
503.09973	7.6
520.10986	100.0
521.10962	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	520.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.6
59.01257	24.0
60.03576	1.8
65.00167	2.4
66.93383	1.7
68.22089	2.0
69.87591	4.9
69.88002	6.1
71.01265	16.6
72.99176	2.8
73.02803	3.8
83.01260	4.1
85.02818	7.0
87.00761	4.0
87.60563	1.9
89.02324	4.2
95.01250	3.1
99.00758	3.3
101.02329	10.7
109.02818	5.5
111.00741	3.3
113.02314	4.7
121.02837	5.9
121.69644	2.0
123.00758	5.1
125.02248	3.1
134.02402	3.9
136.01575	7.4
137.02321	2.4
139.00238	2.7
145.03004	2.9
148.01552	5.1
149.02394	4.9
151.00235	4.9
151.03886	6.4
152.00993	2.0
152.04250	2.6
153.01842	5.0
159.04427	4.2
161.02316	3.2
162.01833	2.3
164.01039	3.1
166.99779	7.5
175.00153	2.5
178.01299	3.4
178.99796	5.0
180.03001	3.6
190.62236	2.1
192.00531	3.9
193.01366	7.0
194.99390	3.6
204.02974	2.6
215.03400	2.1
220.02412	4.3
256.40427	2.3
257.93768	2.2
266.05591	2.2
267.06689	4.6
268.07339	3.9
269.08237	6.2
271.02448	4.0
281.08255	10.6
282.08936	2.8
283.09796	7.2
287.01926	3.7
293.08240	6.1
295.09647	2.9
296.10339	2.3
299.09268	2.9
301.03506	4.6
310.03668	3.5
311.09241	5.8
312.05334	3.4
312.09662	2.5
314.11600	8.6
315.01300	5.0
315.12195	2.5
316.02249	4.2
317.02649	3.6
326.11612	12.7
327.12280	7.0
329.03156	3.7
329.13980	8.5
333.02463	2.6
338.02939	5.0
339.07263	5.1
341.13937	9.6
343.11804	2.4
355.03369	5.9
355.11908	4.4
356.04218	9.9
357.08740	2.3
358.13742	6.0
373.04483	3.5
374.05023	4.0
394.07800	4.1
412.31326	2.3
425.02469	2.3
435.42374	2.2
473.14526	5.2
475.15665	2.5
475.32791	4.0
476.16779	5.7
476.33298	2.9
488.16714	9.4
491.19260	100.0
493.09866	5.6
502.09512	8.2
503.19238	92.8
520.10925	20.2
521.10620	4.2
526.73004	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63290	0.2
54.15512	0.3
55.37210	0.2
62.36605	0.3
71.21156	0.5
78.95786	43.6
96.96854	5.0
104.87681	0.2
110.58170	0.3
150.97961	1.7
152.99512	100.0
153.99838	2.1
171.00586	3.9
185.34494	0.3
274.70340	0.3
279.23340	0.9
280.23727	0.3
301.73111	0.3
316.75085	0.3
431.22275	0.3
433.23642	19.8
434.23987	2.8
456.99457	0.3
508.75903	0.3
520.26855	3.6
521.27716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
62.96289	0.3
66.39859	0.2
71.25459	0.3
78.95776	46.3
83.95121	0.2
96.96841	6.3
102.57876	0.2
116.19279	0.2
118.47716	0.2
129.47353	0.2
150.97905	1.7
152.99490	100.0
153.99831	2.1
171.00563	4.0
212.06877	0.3
279.23236	1.2
433.23593	21.9
434.23996	2.6
520.26721	4.1
521.27271	0.8
529.79889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94785	0.7
57.03317	0.9
59.01241	4.4
60.99183	15.2
61.98699	2.8
67.38315	0.7
69.85305	3.1
71.01262	3.3
73.02802	1.0
83.01251	1.5
83.05889	0.6
85.02849	1.7
88.98681	100.0
89.02334	2.0
89.99019	1.9
93.03311	0.9
95.66812	0.7
96.95878	3.1
98.19867	1.1
101.02335	2.6
113.02329	1.0
125.02362	1.0
133.02841	0.8
134.03654	1.0
135.04414	2.0
161.02367	2.0
173.04407	2.1
178.15565	0.7
179.03465	1.9
201.01653	2.0
225.11287	1.1
273.07758	1.0
284.03149	0.8
358.13989	1.6
359.14450	1.5
375.06839	1.6
476.33298	1.9
503.32925	0.7
521.10309	1.8
521.33154	2.2
522.12476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
58.00463	2.6
59.01253	100.0
60.01585	6.1
61.01671	2.6
61.98694	1.1
69.03334	6.2
69.47929	5.2
71.01255	66.4
72.01569	1.3
72.66878	1.1
72.99167	5.3
73.02813	10.5
75.00738	3.0
79.36905	1.0
81.03334	3.5
83.01270	4.2
85.02821	11.1
86.03180	1.1
87.00748	2.5
87.80816	1.1
89.02317	69.7
90.02636	1.2
93.03339	73.5
94.03640	2.2
95.01278	3.8
96.52666	1.0
96.95894	2.1
97.02827	9.0
98.19792	1.9
99.00758	13.0
99.04372	1.4
101.02322	17.3
107.04908	4.0
108.02044	2.1
111.00785	2.3
112.15185	1.0
113.02338	11.4
115.03922	5.7
115.04570	1.1
115.10879	1.1
119.03392	3.2
121.02845	41.1
125.02341	36.6
126.02716	1.9
131.03407	7.7
135.04404	1.2
137.02347	67.0
138.02663	2.6
143.03430	4.3
149.04463	10.4
151.03894	3.3
159.02884	1.1
161.04471	2.9
162.06795	1.2
167.10667	4.6
177.09003	1.1
179.03401	1.8
191.05547	7.9
197.06018	8.5
199.07591	3.5
207.91084	1.1
227.07097	43.4
228.07446	4.6
233.06622	28.3
234.06964	1.3
281.06854	5.2
293.08792	22.9
294.09119	1.7
315.18121	3.8
359.24069	1.5
359.28043	2.7
400.24347	1.6
401.24658	1.9
413.10870	15.2
414.11261	1.9
418.25287	2.5
419.25446	2.4
461.23834	7.0
505.11392	1.2
521.33392	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	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
53.13282	2.5
56.16626	2.5
59.01259	15.6
68.40546	2.4
69.01367	2.4
70.83659	5.3
71.01257	17.6
73.02799	3.0
80.35645	2.3
81.58902	2.4
83.01256	4.8
85.02808	4.8
87.00754	2.5
89.02324	7.7
89.80056	2.1
101.02325	9.5
113.02317	5.9
121.02827	4.7
133.37685	2.2
144.16547	2.6
152.61568	2.6
185.29216	2.8
200.50151	2.5
267.06720	3.3
268.07562	3.6
269.08118	4.1
281.08200	13.5
282.08844	7.5
283.09720	10.4
293.08200	7.9
295.09781	3.3
297.39990	2.9
299.09213	3.4
311.09451	3.4
314.08310	3.5
314.11603	11.5
315.12350	4.7
326.11530	17.6
327.12103	10.8
329.13895	8.9
341.10312	3.2
341.13727	12.6
343.12009	4.3
355.11966	6.0
371.00833	2.6
442.33615	2.6
473.14600	8.7
476.16998	12.7
488.16910	7.4
491.19254	99.9
492.19644	19.8
503.19214	100.0
504.19312	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01745	2.2
58.00473	1.3
59.01254	18.0
70.67989	1.8
71.01254	18.4
72.99176	1.6
73.02811	4.4
73.70547	0.9
83.01257	3.8
85.02828	7.2
85.99976	1.1
87.00735	3.7
89.02313	4.3
95.01254	2.1
96.95886	2.6
99.00747	2.9
101.02338	10.9
104.52766	1.0
109.02829	1.4
111.00720	1.9
113.02339	4.6
119.03384	1.9
121.02842	3.6
135.04420	1.1
145.02847	2.6
147.04384	1.6
159.04428	3.0
159.15663	1.0
161.02293	1.1
209.65468	1.0
240.04218	1.0
250.35426	0.9
255.06610	2.1
259.18533	1.0
263.06955	1.1
266.05820	1.3
267.06534	2.7
268.07315	4.0
269.08188	6.5
270.08878	1.4
280.07419	2.0
281.08121	10.3
282.08923	4.6
283.09961	6.7
293.08200	3.7
294.08838	1.5
295.09702	2.6
296.10425	2.5
299.09283	4.1
300.92673	0.9
302.07892	1.0
311.09283	3.6
312.09863	1.4
314.07874	3.3
314.11624	9.5
315.12204	4.6
325.10587	1.3
326.11511	14.0
327.12271	8.7
329.13925	9.5
330.14215	1.4
341.13910	11.3
342.14435	1.5
343.11740	3.8
355.11700	5.0
385.15079	1.9
445.14951	2.0
461.14359	2.0
462.15335	1.2
468.71695	1.0
473.14700	6.7
476.16733	9.7
488.16687	9.9
489.17639	1.1
491.11871	2.0
491.19235	98.4
492.19586	16.5
503.19250	100.0
504.19595	17.9
521.16779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01034	2.6
58.00461	5.9
59.01250	100.0
61.80819	2.8
62.50876	3.8
69.73976	16.9
70.22279	3.2
71.01254	65.0
72.99181	3.4
81.13784	3.4
85.02821	11.0
89.02318	93.5
95.01286	3.8
101.02329	39.3
103.87891	3.7
113.02328	23.0
119.03379	35.1
131.03351	5.3
140.94772	3.6
149.04410	3.9
161.04456	6.0
179.05537	12.1
196.61737	2.9
223.09784	5.4
239.89545	3.6
255.10266	5.6
266.05621	3.3
269.11786	3.9
270.12573	3.4
283.09744	35.1
311.09238	74.0
312.09512	9.9
325.10739	5.2
326.11566	29.9
327.11868	5.6
341.10147	14.3
341.13910	72.9
342.10803	7.9
342.14313	10.6
521.16760	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.7
57.03318	1.0
58.00449	0.9
59.01254	24.7
68.21481	0.5
69.02007	0.4
71.01257	18.5
71.03046	0.9
72.99170	1.5
73.02818	3.0
81.06067	0.4
83.01274	3.4
85.02832	6.9
87.00759	1.3
89.02324	10.8
91.01769	0.4
95.01263	1.2
99.00735	1.3
101.02325	13.2
108.02063	1.1
109.02834	7.4
113.02340	5.4
119.03392	4.6
123.04340	0.7
131.03271	0.5
134.60353	0.4
137.02382	0.7
155.24673	0.4
159.04448	2.2
160.05226	1.0
161.04456	1.1
161.05815	0.5
169.53400	0.5
171.04457	0.5
172.05161	0.9
173.05989	3.8
174.06274	0.5
175.07535	0.7
187.07596	0.9
189.05498	2.2
191.07104	1.3
201.05396	0.5
203.07021	1.2
241.05025	5.5
242.05444	0.5
253.04968	1.0
253.08899	0.5
255.06612	3.2
267.06561	1.0
268.07263	0.7
269.08200	0.8
280.07480	0.9
281.08118	2.2
282.08572	0.6
283.09790	0.9
293.08023	0.5
295.09692	1.8
296.10562	0.7
298.08383	0.8
299.09161	2.9
310.08838	0.6
311.09286	4.1
311.12793	0.8
313.10828	5.1
314.11304	0.9
325.10806	0.6
326.11612	2.6
327.12250	1.5
329.10281	1.5
329.14017	3.0
341.10391	0.6
341.13986	5.1
343.11905	1.4
344.12625	15.1
345.12967	2.5
359.15002	54.5
360.15344	6.6
435.05103	0.5
521.20276	100.0
522.20642	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.7
69.22874	3.4
71.01257	3.9
73.02821	1.4
83.01256	0.5
85.02810	1.7
87.00723	0.4
89.02316	1.4
93.03326	0.8
95.38934	0.3
96.45734	0.3
96.95898	0.8
98.20536	0.9
99.00784	0.4
101.02341	1.3
109.02853	0.8
111.91440	0.3
113.02319	1.5
120.15922	0.4
121.02848	4.2
122.03609	1.2
123.00769	1.0
123.04477	0.6
124.01565	1.2
125.02311	0.7
135.04416	1.1
136.01556	0.8
136.05176	0.7
137.02357	1.5
137.05959	0.6
139.00316	0.4
139.03891	0.7
143.03427	0.3
143.04869	0.5
146.03603	0.6
147.04439	2.0
149.02359	1.7
149.05972	0.6
150.03152	6.2
151.00258	0.6
151.03880	1.1
158.03653	2.3
159.04427	7.9
160.05219	24.4
161.04442	1.8
161.05959	7.2
162.03148	0.6
163.03920	5.3
164.04723	5.3
168.04205	0.4
173.06007	3.6
174.06412	0.4
175.07573	23.8
176.07910	1.4
177.05495	6.3
178.06276	5.8
178.99857	0.4
179.03217	0.5
189.05435	0.4
191.05524	0.6
192.07893	0.5
193.08640	2.5
193.80585	0.4
253.08730	0.5
267.06277	0.4
269.08197	4.3
270.08521	0.5
271.02609	0.6
271.09796	0.5
281.08328	0.8
283.09818	2.5
293.08908	0.7
299.01822	0.7
299.09201	3.6
300.09616	0.6
311.09296	4.4
311.12701	0.4
312.09515	0.5
313.10767	0.5
314.11639	7.9
315.12027	1.1
316.02155	1.2
318.03534	0.5
325.10651	0.7
326.11542	3.2
327.12155	0.4
329.13937	100.0
330.14304	12.3
336.16138	0.4
341.09909	0.5
341.13943	7.4
342.14371	0.6
359.11469	1.0
359.15247	3.4
374.13828	0.7
375.14435	0.6
389.16107	3.0
429.66452	0.4
521.10596	1.4
521.20160	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.2
59.01224	0.4
69.78081	0.9
71.01270	1.4
73.02805	0.5
79.82091	0.2
85.02785	0.8
98.19827	0.3
99.00742	0.3
101.02299	0.9
108.02010	0.9
109.02847	14.5
109.03577	0.5
110.03142	0.4
113.02313	0.7
123.04436	1.0
124.01579	0.3
125.02325	0.3
130.80579	0.2
137.02301	0.2
158.03604	0.6
159.04433	6.7
160.04770	0.5
161.04469	0.7
161.05879	0.4
171.04422	0.4
173.04585	0.4
173.06004	4.9
187.07602	0.3
188.04668	0.2
189.05515	4.4
190.06078	0.9
191.05507	0.5
191.07050	2.9
192.07288	0.2
195.04440	0.3
201.05501	0.3
203.07083	2.6
205.08661	0.2
212.04768	0.3
213.05482	0.5
219.06693	0.2
224.04689	0.3
225.05492	0.7
240.04285	2.2
241.05049	10.9
242.05325	0.7
243.06522	0.3
245.45564	0.2
251.07129	0.4
255.06642	8.1
256.07068	1.1
265.08661	0.7
267.06766	1.4
268.07343	0.3
269.08167	2.3
271.09781	0.3
280.07288	0.2
281.08173	0.9
283.09656	0.6
295.09741	1.1
296.10419	0.4
297.11298	0.2
298.08365	1.0
299.09271	7.8
300.09711	0.8
311.09360	0.4
313.10822	10.0
314.11224	1.4
315.12277	0.4
327.12448	0.8
328.09448	0.4
329.10318	4.9
330.10840	0.5
343.11899	2.6
344.12659	30.4
345.13022	4.4
359.15027	100.0
360.15378	13.7
431.14825	0.4
521.20398	1.4
522.20679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.8
57.03312	2.3
58.00461	2.3
59.01252	47.3
61.52996	0.9
69.64346	5.6
71.01254	33.1
72.01589	1.2
72.99186	3.5
73.02821	7.1
76.95081	0.9
83.01254	5.3
85.02822	11.4
87.00745	2.9
89.02323	14.2
94.49377	0.8
95.01269	3.6
96.36045	0.9
99.00746	2.6
101.02325	22.4
106.73246	0.9
108.02041	1.4
109.02845	11.9
113.02328	12.6
119.03425	5.3
121.02853	1.2
123.04464	1.6
125.02366	1.0
146.09856	0.9
147.04440	1.2
149.02359	1.3
150.03128	2.2
159.04439	8.6
160.05220	10.4
161.04457	1.0
161.05948	2.3
163.03941	1.3
164.04713	2.2
169.80679	0.9
172.05161	2.1
173.05975	6.9
175.07587	10.2
177.05536	2.9
178.06281	2.2
182.67796	1.0
183.76271	1.0
184.50128	0.9
187.07613	1.1
189.05513	4.2
190.06291	1.3
191.05519	1.2
191.07062	2.5
203.07227	2.1
240.04057	1.3
241.05000	8.6
242.05273	1.4
253.04977	1.7
255.06621	5.5
267.06689	1.5
268.07291	1.9
269.08328	1.8
281.08151	3.4
283.09622	1.6
295.09869	3.2
296.10092	1.5
299.09329	6.4
311.09314	7.2
311.12628	1.7
312.10126	1.2
313.10870	13.0
314.11078	1.5
326.11667	6.3
327.12167	2.8
329.10254	4.6
329.13876	26.0
330.14203	3.4
341.13824	5.6
343.11981	2.6
344.12616	39.2
345.13138	5.1
359.14987	78.1
360.15466	8.8
443.85129	1.2
521.20264	100.0
522.20502	18.4
522.27625	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	521.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.5
59.01252	82.0
60.01582	3.7
61.01665	1.4
61.98703	2.3
66.76236	0.7
69.03321	1.0
70.94129	1.9
71.01253	33.1
72.01603	0.8
72.99176	1.4
73.02818	5.3
75.00742	0.9
81.03323	1.3
83.01270	2.2
85.02831	6.6
87.00752	1.8
87.04419	0.9
89.02319	42.9
90.02622	1.0
95.01236	1.1
95.78442	0.7
96.95911	0.7
96.96844	1.7
97.02830	2.9
97.54269	0.7
99.00753	2.4
99.04402	1.6
101.02316	20.4
102.02653	1.1
103.03875	2.3
113.02324	7.1
119.03409	3.8
121.02839	0.9
125.02332	15.0
131.03401	17.7
137.02405	0.8
143.03416	3.1
149.04456	15.4
161.04475	2.3
163.06004	6.3
167.10693	100.0
168.11024	7.4
177.59303	0.7
179.05489	1.2
191.05539	7.9
191.10722	0.8
205.07111	3.5
209.11768	1.3
233.06482	1.3
293.08771	15.5
294.09177	1.4
311.09830	0.8
359.24066	1.1
359.28067	1.3
368.13293	0.8
382.10150	0.7
400.24197	1.1
401.24509	1.9
418.25363	1.8
419.25403	1.6
461.24240	2.3
491.18982	0.9
503.17484	1.7
521.33746	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	521.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30671	0.7
57.03324	1.6
58.00475	1.7
59.01253	100.0
60.01586	1.6
61.98704	5.1
69.03336	1.7
69.40781	4.5
70.76433	0.7
71.01257	37.6
72.01591	0.7
72.99186	9.0
73.02817	21.7
75.00737	2.0
80.28964	0.7
81.03331	1.0
82.43317	0.8
83.01266	3.7
85.02824	14.5
87.00751	7.4
87.04407	3.3
89.02319	35.7
90.02631	0.9
93.03394	1.3
95.01260	1.4
97.02874	1.8
99.00763	1.5
101.02325	47.5
103.03896	16.3
113.02331	8.5
114.28000	0.9
115.03904	4.8
119.03403	14.0
125.02340	4.9
127.03944	2.7
130.19038	0.8
131.03400	11.8
135.04425	1.5
143.03421	11.4
145.04979	4.4
149.04436	3.7
161.04504	2.5
163.06039	58.6
164.06367	2.1
165.01862	0.9
167.10693	20.0
179.05536	3.1
186.82320	0.7
191.05531	2.7
205.07141	22.3
206.07574	1.5
207.22478	0.7
265.09146	5.1
293.08939	2.7
301.07425	0.8
307.66638	0.8
461.23926	14.9
461.29993	1.2
462.24274	2.3
521.33337	3.1
522.34210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78979	0.6
57.03326	1.4
58.00471	2.1
59.01253	100.0
60.01588	2.1
60.06241	0.8
61.98700	5.5
66.70383	0.7
69.03333	1.4
71.01258	43.9
72.99185	10.0
73.02823	21.0
75.00774	1.2
83.01264	3.7
85.02825	11.7
87.00746	8.8
87.04423	2.8
89.02323	32.7
95.01279	1.4
96.95978	0.9
97.02822	1.2
99.00785	1.7
99.04396	1.1
101.02330	48.2
102.02673	0.9
103.03894	16.7
109.06438	0.8
111.04394	0.8
113.02343	10.6
115.03896	5.2
119.03400	10.6
125.02340	7.0
126.59142	0.8
127.03891	1.3
131.03404	13.3
135.04451	1.1
143.03418	10.5
144.03728	1.3
145.04977	5.2
149.04445	3.5
160.52335	0.8
161.04562	2.2
163.06038	57.1
164.06474	1.9
167.10683	20.6
167.12059	1.1
168.11121	1.2
179.05493	3.5
191.05588	3.0
205.07120	22.1
206.07520	0.9
265.09274	4.6
293.08905	2.4
301.07346	1.0
315.18216	2.2
461.23932	14.0
461.30020	1.0
462.24655	2.2
484.58432	0.9
521.33813	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81720	0.3
53.94620	0.3
54.23703	0.2
54.38853	0.3
55.01757	0.4
57.03326	1.3
57.51949	0.2
58.00467	0.6
59.01252	9.3
60.01601	0.3
61.98682	0.8
69.03315	0.4
71.01257	9.1
71.54080	0.4
72.99168	1.0
73.02813	1.9
78.25970	0.2
83.01250	1.1
85.02829	3.7
85.99956	0.3
87.00752	1.0
89.02317	3.2
93.03336	0.2
94.77036	0.3
95.01283	0.7
96.95860	0.4
97.02813	0.3
99.00755	0.4
101.02324	5.0
106.88938	0.3
106.93872	0.3
111.00730	0.4
113.02339	2.6
119.03388	1.0
119.39073	0.3
125.02350	0.5
131.03375	0.4
149.05995	0.3
151.20767	0.3
154.37398	0.2
191.05519	2.0
192.05878	0.4
201.80486	0.3
295.22742	1.0
301.69559	0.3
311.25928	0.5
313.23807	2.9
314.24219	0.4
317.27197	0.3
341.23376	0.4
341.26953	6.4
342.27267	0.9
357.26520	0.4
359.24283	2.5
359.28055	29.8
360.24451	0.4
360.28406	3.8
373.29462	0.5
461.31143	0.5
479.32132	0.4
503.32272	1.8
521.33319	100.0
522.33667	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2191
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.30577	0.4
55.01759	1.7
57.03316	1.6
58.00463	0.9
59.01257	22.4
66.38126	0.4
69.48580	2.7
71.01261	19.6
71.57265	0.4
72.99182	2.0
73.02824	4.3
74.60961	0.4
75.00790	0.4
78.95784	1.0
79.95617	1.3
81.03342	0.6
81.30813	0.4
83.01249	2.9
84.19355	0.4
85.02831	7.8
86.00034	0.3
87.00761	2.0
88.98679	3.9
89.02323	7.8
93.03345	1.4
95.01279	1.6
95.95079	0.5
96.95901	8.6
96.96846	1.9
97.82040	0.4
98.02383	0.9
98.19765	0.8
99.00756	1.6
101.02332	12.3
108.02092	0.8
109.02847	4.5
111.00803	0.8
113.02345	5.9
119.03410	3.2
121.02855	11.9
122.03651	11.5
123.04505	2.4
124.01558	1.7
125.02356	0.6
129.01848	0.8
129.03372	0.7
134.03656	0.9
135.04414	2.6
136.05209	1.2
137.02347	3.2
147.04443	7.8
148.05125	1.2
149.05981	1.4
150.03075	0.5
151.03932	0.5
153.01788	0.6
154.02669	1.6
155.10712	1.5
160.05098	0.5
161.04538	1.0
161.05988	3.7
161.08195	0.4
162.06726	1.3
163.03951	0.9
164.04659	0.7
165.05498	25.0
166.05833	1.1
173.06017	0.9
175.07530	1.1
177.01752	0.4
178.06253	0.7
179.05569	0.8
179.07063	8.0
180.07582	0.7
191.05540	0.6
191.07103	1.2
193.08656	0.4
199.09700	1.0
205.08746	0.5
209.07976	0.7
223.09676	0.6
255.03008	0.5
271.02533	0.9
298.12112	1.3
300.02731	1.7
301.03531	1.5
313.14404	2.6
315.12463	2.1
316.13016	1.1
328.13159	1.9
329.13953	1.0
331.15198	0.7
343.15533	4.6
344.15649	0.5
346.14209	10.1
347.14804	2.6
361.16599	87.0
362.16937	10.9
396.39133	0.4
433.07578	2.1
434.08224	0.7
463.21783	1.8
508.19907	0.6
523.21893	100.0
524.22229	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	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51799	1.3
58.23235	1.3
58.88233	1.2
59.01237	2.9
62.57767	1.4
71.54491	1.6
78.95782	29.3
89.02312	1.8
96.96850	2.2
97.20963	1.4
113.09621	3.0
152.99484	43.1
171.00557	3.1
179.14334	1.7
195.13832	20.4
196.14143	1.5
203.42368	1.5
227.03140	3.0
245.04120	1.9
277.21735	18.9
278.22147	1.6
295.22794	91.4
296.23141	9.1
309.65881	1.6
431.21820	2.5
449.24210	1.6
523.26752	100.0
524.27234	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.6
57.03319	4.7
58.00462	0.9
59.01252	12.4
61.98702	8.7
64.24519	0.5
69.03313	0.7
71.01253	22.6
71.54333	0.8
72.01614	0.6
72.99178	1.7
73.02811	7.9
75.00742	4.5
83.01258	5.6
83.04903	0.6
85.02818	14.7
85.88271	0.5
85.99947	0.7
87.00755	2.3
87.04408	0.9
89.02331	2.4
95.01261	2.0
96.95885	1.2
96.96902	0.5
97.02824	0.9
99.00759	4.3
99.08089	0.5
101.02325	18.8
105.01827	0.6
109.02817	0.7
110.54395	0.6
111.00759	4.1
113.02329	7.7
116.56699	0.4
119.03376	0.8
122.63117	0.5
123.08016	1.3
125.02337	1.6
125.09661	0.5
129.01869	1.4
135.04411	2.5
136.01578	0.6
141.01842	0.6
141.12750	1.1
143.03351	0.6
145.02869	1.5
151.03911	1.0
153.09090	0.7
159.02876	2.4
161.04459	2.3
163.03873	1.0
169.12166	0.7
171.13835	2.0
179.07060	0.6
187.13353	1.2
191.05486	1.2
201.14882	2.1
217.14290	0.5
315.25537	1.2
359.28012	2.2
361.29565	19.4
362.30035	1.4
370.18225	0.6
389.71222	0.6
415.11911	0.6
475.17746	2.6
476.17200	0.7
523.34882	100.0
524.27887	0.9
524.35297	14.8
529.21680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12581	0.6
50.49972	0.6
55.01741	2.3
57.03333	4.4
58.00454	1.3
59.01255	29.0
60.01580	1.0
60.56697	0.5
61.04265	0.6
61.98709	10.4
69.03310	0.9
70.46335	1.6
70.99064	0.5
71.01257	39.2
71.04893	0.8
72.99181	3.0
73.02822	9.9
75.00751	16.0
82.39744	0.5
83.01264	5.0
85.02826	17.3
87.00761	2.4
87.04424	0.8
89.02324	11.6
90.75054	0.5
95.01271	3.3
96.95896	1.4
97.02840	1.1
99.00759	4.1
101.02327	27.2
102.02670	0.8
105.38185	0.5
109.02817	0.8
110.09133	0.5
111.00775	1.3
113.02340	14.2
119.03413	4.3
121.02883	1.2
123.04431	0.6
125.02354	1.5
127.11185	0.7
129.01775	0.9
131.03343	0.9
135.04422	1.1
135.07953	0.6
137.09621	0.7
139.11203	0.5
143.03409	2.1
145.02835	0.9
151.03853	1.4
155.10689	1.2
157.12248	2.7
159.02917	2.0
161.04491	5.6
163.03903	1.7
164.04561	0.6
167.10582	0.7
179.05537	1.1
180.07784	0.6
187.13350	2.4
191.05522	1.2
195.09158	0.5
201.14876	0.9
210.43550	0.6
213.29227	0.5
215.79367	0.6
265.85144	0.6
342.14749	0.8
359.27911	2.0
360.15750	0.9
361.29636	27.2
362.29883	2.5
447.22501	1.6
448.15219	0.8
457.12283	0.7
460.15384	1.0
463.17633	5.1
463.24408	2.0
464.17706	1.0
472.15421	0.6
475.17706	3.2
476.18179	1.1
487.17514	1.3
493.18753	2.3
494.19208	0.8
505.18634	1.5
513.86877	0.6
523.21924	5.4
523.34912	100.0
524.35193	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	525.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43560	0.5
57.03315	0.6
59.01247	2.8
61.98708	5.0
71.01247	1.6
71.42167	0.9
72.99189	0.7
73.02818	1.2
75.00736	1.5
82.96159	0.7
83.01249	0.7
85.02847	1.0
87.00755	2.5
89.02280	1.1
89.07720	0.5
93.03343	1.4
96.95894	1.7
101.02335	1.5
107.04911	1.2
109.02821	1.6
110.22475	0.6
113.02327	0.7
119.03379	0.6
121.02847	14.4
123.04386	0.6
125.02330	2.7
125.05938	0.6
130.85239	0.5
134.03612	1.8
135.04408	7.1
137.02383	0.8
145.02858	1.5
149.02269	0.8
150.03131	3.5
157.06477	1.5
160.05133	0.6
161.02322	1.2
163.03877	0.9
165.05499	5.2
166.06265	54.0
167.06955	4.6
177.05486	0.8
179.03514	0.7
181.08623	26.7
185.05937	1.1
195.04533	1.3
195.06364	1.2
199.07579	0.7
209.06055	2.5
211.03946	2.2
212.04720	2.7
213.05507	1.3
219.04453	2.2
221.06038	1.2
224.04651	1.2
225.05457	2.4
226.06287	1.3
227.07092	2.6
235.03943	2.1
236.04791	0.9
237.05521	9.4
238.06146	1.1
239.03471	4.3
239.06978	0.9
240.04231	43.7
241.02629	0.6
241.04677	4.2
241.08644	0.8
247.03958	2.1
248.04706	3.6
251.03438	1.6
251.07295	0.9
253.04993	2.1
254.05887	2.8
255.06580	10.3
256.07132	1.7
263.03207	0.8
264.04288	3.5
265.05023	19.5
266.05695	3.1
267.06531	2.0
268.07114	1.3
269.04813	1.4
269.08176	4.6
270.08936	3.8
280.07373	1.0
281.08090	3.0
282.05225	2.1
282.08322	0.6
283.06110	16.4
283.09268	1.3
284.06534	2.3
295.06091	2.4
295.09503	0.9
296.06891	2.7
296.10599	3.5
297.07681	8.0
297.11020	1.3
298.08450	44.7
299.08807	5.2
307.08081	0.7
310.08542	1.8
311.09274	5.3
311.12604	1.2
312.09958	3.0
313.10803	100.0
314.11176	12.4
325.10797	2.6
326.11563	17.5
327.11929	2.4
328.09534	2.2
329.13959	1.2
341.13721	1.1
343.11856	18.1
344.12167	2.6
363.05362	1.0
434.11340	0.7
447.13959	2.9
448.13983	0.7
462.16879	8.3
463.08981	0.9
463.17130	1.3
477.19186	48.5
478.19586	9.0
481.27271	0.9
507.19949	0.8
525.21368	5.9
525.29388	5.7
526.21252	1.4
526.29395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76835	1.7
58.00491	2.0
59.01254	100.0
61.98696	4.1
63.14949	1.8
71.01254	51.5
72.99191	4.2
73.02831	5.6
83.01252	2.0
85.02815	9.4
87.00771	3.3
89.02319	74.3
90.02673	2.5
96.95902	7.1
99.00773	3.6
101.02334	35.5
113.02334	17.4
119.03389	16.1
125.02337	1.9
131.03406	42.8
133.87775	1.6
135.04424	4.3
137.09627	1.9
143.03436	5.3
149.04478	51.3
155.10690	4.1
161.02327	3.2
161.04495	6.7
173.04532	4.2
179.05551	29.3
191.05542	40.8
192.06012	2.4
221.06599	1.9
251.07692	4.1
333.19077	14.0
353.58936	2.1
465.23389	21.9
466.23813	2.7
525.21930	7.0
538.90704	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	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	10.0
70.95265	2.4
71.31463	3.0
101.61905	2.7
151.00229	4.1
178.99666	3.0
243.02948	4.7
246.42996	2.7
248.34547	2.5
255.02927	11.4
271.02362	23.6
272.02692	3.9
300.02725	50.6
301.03391	27.5
406.27469	2.4
463.08789	100.0
464.09332	12.0
554.55536	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	526.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
61.82940	0.3
61.85424	0.4
61.98709	100.0
65.00214	0.5
66.12994	0.4
71.01254	1.1
71.54494	0.5
73.02835	0.6
75.00757	0.8
85.02845	0.8
87.00766	0.5
89.02361	0.4
96.95884	0.5
97.02835	0.7
97.06524	0.7
99.04390	0.6
101.02356	0.6
109.02850	0.7
109.06520	0.5
111.04446	0.5
119.91187	0.4
121.02899	0.5
121.06496	0.5
125.02405	0.5
135.04428	9.9
137.02365	0.6
137.05969	0.6
143.14647	0.4
151.07573	0.4
165.01877	5.9
191.05537	0.7
193.47551	0.4
230.92834	0.4
234.62125	0.4
235.40245	0.3
271.02515	0.6
287.10553	0.6
300.02811	0.7
301.07181	9.4
301.10428	0.7
302.07556	0.8
324.58273	0.5
463.12790	5.7
464.12805	1.1
464.26978	0.5
481.32138	0.6
483.34094	0.5
525.30133	2.7
526.31073	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	527.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.4
69.28493	8.7
71.01259	1.3
73.16905	1.2
85.02848	5.2
87.00768	1.5
89.21738	1.0
93.03345	4.5
94.01311	1.1
94.20081	1.0
98.19778	2.7
127.03920	1.4
135.04408	9.3
161.02332	3.0
173.04478	3.9
179.03421	5.9
179.51694	1.0
191.05545	100.0
192.05864	4.0
218.98897	1.2
246.12718	1.1
248.47704	1.1
353.08765	13.0
354.09100	1.4
527.14008	18.4
528.14404	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	527.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01242	1.1
60.99158	0.1
62.76742	0.1
67.01746	0.6
69.03324	0.3
71.01249	0.8
73.02798	0.7
78.95771	0.6
81.03311	0.4
83.04887	0.5
85.02824	7.7
87.00748	2.1
93.03338	5.5
94.03693	0.2
96.95889	0.2
96.96840	0.5
98.20492	0.4
99.00735	0.2
99.04394	0.5
101.02318	0.2
107.04906	0.3
109.02843	1.4
110.98402	0.5
111.04402	1.9
122.03661	0.2
123.04401	0.3
125.02325	0.3
125.05991	0.2
127.03911	2.1
129.01819	0.2
133.02855	1.0
134.03676	0.3
135.04413	14.3
136.04752	0.5
137.02368	0.9
139.00275	0.2
143.03355	0.2
153.01852	0.2
155.03392	0.7
161.02348	5.0
161.06013	0.2
162.02702	0.3
171.02925	0.7
173.04468	5.2
174.04832	0.2
179.03419	9.1
180.03716	0.6
185.02151	0.6
187.07622	0.4
189.09174	0.2
191.05539	100.0
192.05879	4.9
192.07663	0.2
192.91318	0.1
193.06537	0.2
209.05972	0.3
211.07571	1.1
218.36082	0.1
220.39058	0.2
229.08691	0.8
231.06506	0.3
247.09830	0.8
255.06746	0.2
265.10822	0.6
273.07693	0.3
291.08716	0.6
309.09848	1.1
335.07571	1.1
353.08749	14.7
354.09073	1.2
371.09625	0.2
394.41934	0.2
465.13760	0.2
483.15216	0.8
509.12881	0.3
515.17688	0.2
527.14038	26.8
528.14325	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	527.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96505	0.3
56.41791	0.2
59.01247	1.6
59.58921	0.2
60.99195	0.3
67.01758	0.7
69.03331	0.5
69.77627	1.2
71.01266	1.4
73.02832	0.7
75.64306	0.2
81.03321	0.5
83.04891	0.7
85.02826	11.1
87.00755	3.0
93.03339	8.4
94.03693	0.4
95.01308	0.2
97.02808	0.3
99.04399	0.6
101.02336	0.3
107.04836	0.3
109.02844	1.5
111.04414	2.3
122.03568	0.3
123.04455	0.5
127.03909	2.9
133.02849	1.9
134.03641	0.4
135.04422	17.8
136.04720	1.1
137.02368	0.4
155.03410	0.9
159.04443	0.3
161.01070	0.4
161.02362	5.7
162.02757	0.3
169.08853	0.3
171.02937	0.8
173.04492	4.0
179.03415	8.2
179.04918	0.5
180.03694	0.4
187.07565	0.2
191.05547	100.0
192.05887	4.7
205.08600	0.4
211.07559	0.9
229.08757	0.6
231.06700	0.3
247.09702	0.6
265.10855	0.6
309.09714	0.3
335.07623	0.3
341.81516	0.3
353.08728	3.3
354.09113	0.5
400.32288	0.3
483.14951	0.4
527.06689	0.5
527.14105	7.5
528.14294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	49.4
64.06042	42.1
71.54237	56.3
80.96387	100.0
84.25459	42.3
84.55311	46.2
133.09950	50.8
191.05614	53.8
211.13531	56.1
242.15720	54.0
287.61444	50.3
291.19647	95.5
527.24982	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3378
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
59.01252	23.5
93.79348	1.0
99.03811	1.4
99.04404	17.2
102.48556	1.0
191.05624	1.1
196.31474	1.0
267.90277	1.0
383.29471	4.0
423.32697	2.0
467.31647	89.3
468.31943	19.5
527.33759	100.0
528.34143	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	529.1353
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
57.03331	0.7
57.81857	0.5
58.05857	0.4
59.01253	3.8
61.98701	0.8
62.80733	0.6
67.01775	0.9
69.03339	1.0
69.42082	3.4
71.01263	1.8
73.02853	0.9
75.79513	0.4
78.95789	5.4
79.87718	0.5
79.95622	2.0
83.01273	0.5
83.04911	1.4
85.02832	2.8
87.00764	1.9
89.03828	1.3
93.03346	8.4
96.95901	53.1
96.96819	6.8
98.19676	0.5
99.04396	1.5
101.02310	0.6
103.66122	0.4
109.02856	0.5
111.04419	3.7
117.03341	8.1
119.04952	0.7
125.02337	1.1
127.03980	1.1
129.01831	0.7
133.02863	1.4
134.03642	76.2
135.04474	15.5
136.04671	0.9
137.02325	1.6
139.07521	0.6
149.05995	7.6
153.09062	0.7
155.03366	3.1
160.01685	0.6
161.02405	4.3
161.04495	0.7
171.02826	0.5
173.04483	11.5
174.04782	0.6
175.03926	0.6
178.02559	0.5
179.03438	12.5
191.05559	42.9
191.87544	0.6
192.05925	1.7
193.05009	100.0
194.05334	5.7
200.36615	0.5
227.03488	5.2
255.02994	6.2
256.03580	1.4
257.04312	0.7
284.03268	7.7
285.04044	7.6
286.04373	1.0
325.58289	0.5
335.07852	1.1
353.08740	11.9
354.09247	1.4
367.10358	45.8
368.10608	5.3
431.09863	14.1
432.10284	2.5
485.31427	0.6
529.34192	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	529.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
59.49424	0.8
71.01249	1.6
72.99186	100.0
73.99528	1.8
75.00713	0.8
78.10306	0.8
78.95784	1.1
81.03349	1.6
81.03786	0.9
83.04906	2.4
87.00727	1.1
93.06971	2.1
96.95914	2.1
97.06499	1.8
99.04417	5.9
107.04874	1.4
111.08013	1.1
121.06482	3.1
123.08029	1.1
130.72600	0.9
135.04424	1.4
139.07547	2.8
149.06015	1.3
172.59744	0.9
173.09630	2.5
235.11081	1.0
275.20166	1.4
277.15952	1.3
293.21140	1.5
295.16910	1.2
317.17676	4.2
327.19812	1.7
355.19040	1.3
357.21991	1.9
361.20242	1.8
367.22894	2.0
385.23795	1.4
387.26819	2.8
391.22855	1.5
405.28357	1.8
409.23712	1.4
419.25995	2.0
421.27380	1.6
431.25885	6.6
432.26254	1.2
437.26953	1.2
449.26947	13.0
450.27072	1.4
467.28091	14.8
468.28662	2.3
493.25952	1.2
511.26779	5.8
529.28082	71.4
530.28381	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	529.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34257	3.2
51.85531	3.0
57.03328	24.7
59.01258	22.0
61.98703	9.3
71.01256	6.6
73.02818	11.9
75.00739	4.8
77.87023	3.6
83.04899	21.2
85.02853	3.8
85.20883	3.5
87.00735	8.4
93.03346	8.2
96.95905	4.7
97.02887	4.5
97.06445	7.7
99.04441	8.4
115.03867	9.8
117.01830	16.2
117.37570	3.0
121.03764	3.3
127.03908	100.0
128.04269	4.5
185.08122	72.3
203.97389	3.3
253.09305	3.7
256.05768	3.6
275.20474	3.5
293.21216	10.9
303.19730	7.8
315.19650	5.1
317.17615	4.2
321.22083	3.3
343.19284	5.3
344.19754	5.1
351.23453	3.6
363.23337	6.9
365.21252	7.2
379.26447	8.0
381.24298	52.0
382.24667	9.4
388.68457	4.0
391.22696	5.9
399.25385	5.5
405.28128	8.7
409.23795	31.9
410.24454	4.2
421.27448	18.9
422.27609	6.2
423.29153	10.9
427.25171	4.3
439.28479	13.6
449.27032	8.3
467.28061	8.9
471.23941	5.3
485.29306	6.4
493.25888	4.3
511.27075	8.4
529.28052	98.0
530.29004	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03320	0.9
59.01254	11.2
61.98700	0.7
71.01253	5.7
71.54092	0.6
72.99180	1.0
73.02811	1.1
83.04899	0.6
85.02809	1.5
87.00751	1.4
89.02321	6.8
89.75265	0.5
90.58685	0.4
93.03343	0.6
96.95887	0.8
101.02328	6.7
111.08084	0.6
113.02340	3.3
119.03376	1.4
127.03887	0.6
140.80945	0.5
143.03427	0.7
143.07062	0.7
151.07565	0.5
161.04463	3.3
177.12695	0.5
179.05508	1.5
179.14342	1.0
185.08148	1.0
191.05490	1.1
195.13855	9.3
196.14215	0.8
205.12170	0.8
211.13329	0.7
222.79886	0.6
223.13362	6.9
224.14029	0.5
228.13689	0.9
253.09267	34.4
254.09610	1.8
256.13135	1.1
275.20154	4.8
293.21231	100.0
294.21567	10.4
363.23709	0.7
381.24252	2.7
387.39429	0.5
409.23956	0.9
421.27606	1.0
422.89490	0.5
449.27371	0.7
467.27640	0.6
471.23410	0.7
492.22336	0.9
529.28223	4.9
530.28180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40926	1.6
59.01253	100.0
61.98692	1.9
66.36040	1.8
69.99884	4.8
80.24334	1.5
87.00745	3.0
89.02335	1.9
95.04913	2.0
97.06451	2.1
98.19821	1.9
109.06454	6.3
111.08027	2.1
121.06416	1.9
122.03626	5.5
125.05972	2.6
135.08009	1.6
137.05988	3.1
139.07559	26.2
145.47963	1.4
253.09189	2.2
283.09286	1.8
293.21127	8.9
314.23569	1.7
341.20963	2.6
343.19360	3.5
355.22791	6.9
359.81412	1.6
383.22150	1.6
398.47476	1.6
405.28650	1.9
433.27344	5.3
449.26477	2.1
451.28491	13.4
452.28864	3.3
469.29532	44.0
470.29868	8.8
529.27869	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	529.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13239	0.8
59.01253	100.0
60.01586	1.6
61.51580	0.8
67.92987	0.7
69.47114	0.9
69.77974	2.8
69.78392	1.2
93.03326	1.2
100.63920	0.7
103.03880	2.7
106.39797	0.8
135.04439	1.1
167.47757	0.9
168.88428	0.9
173.04433	1.5
353.25375	0.9
378.32907	0.9
433.27271	1.2
469.29517	3.1
529.27631	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	530.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24076	11.6
61.98708	100.0
71.53722	12.0
88.70763	10.0
125.81562	11.9
134.60388	12.8
134.73958	10.5
188.15230	10.3
238.82109	11.9
322.28656	12.2
484.49304	11.4
542.01898	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	531.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08728	0.6
58.12406	0.6
59.01244	3.2
67.01775	1.7
69.47119	0.7
71.01254	1.6
72.99166	0.7
73.02834	1.0
79.95647	0.8
81.03348	0.9
84.29589	0.7
85.02820	7.8
87.00751	2.5
87.72201	0.8
88.98615	0.7
93.03331	8.5
94.03627	0.7
96.95889	16.7
99.04391	0.9
105.01813	4.4
107.04921	2.4
109.02835	1.9
111.04396	2.9
111.87624	0.7
114.81117	0.7
121.02850	1.7
122.03612	1.5
123.04414	26.2
124.04766	1.4
127.03895	0.8
132.54945	0.6
133.02846	4.0
134.03619	1.9
135.04420	31.4
136.04761	2.3
137.02322	2.5
147.25047	0.7
149.02414	2.0
150.02742	0.7
151.00308	0.7
151.03935	5.8
155.03452	1.2
161.02368	4.9
168.20393	0.7
173.04475	12.8
174.04802	0.8
177.01855	12.8
179.03424	28.6
180.03751	1.6
191.05542	100.0
192.05882	5.5
194.02101	0.7
195.02925	12.7
214.37357	0.8
225.11327	0.8
252.82994	0.8
300.02768	1.8
335.07666	1.7
351.07184	3.3
351.52603	0.7
353.08759	23.4
354.09265	3.4
356.58224	0.7
368.07202	0.8
369.08255	19.0
370.08508	1.9
433.07745	1.2
454.89307	0.7
487.29260	2.9
531.12115	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	531.2967
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
55.01776	1.1
57.03323	3.6
59.01258	11.6
61.98695	2.8
68.53584	1.3
68.99685	1.3
69.03316	4.2
69.48349	6.2
71.01241	3.0
72.99164	4.0
74.96412	1.2
75.00745	9.3
78.95782	8.1
79.95613	1.7
80.02539	1.5
80.96370	1.3
83.04877	2.4
85.02872	1.8
87.00751	10.0
93.03351	1.5
95.04903	1.6
96.95885	6.7
97.02843	1.4
98.20572	1.1
99.04379	2.3
107.04907	5.7
109.06457	2.7
121.06466	1.5
123.08079	1.4
124.05178	1.4
135.04402	2.6
139.07550	2.3
150.06801	1.4
176.08330	2.8
183.68375	1.2
187.14818	1.6
239.14622	1.7
245.15369	2.0
250.47157	1.2
262.57587	1.2
271.20648	2.1
303.19821	1.5
315.19672	11.3
316.20010	2.1
323.20148	1.6
323.23724	2.9
325.25577	1.8
327.15613	1.4
349.25351	2.9
362.07111	1.3
367.22662	5.1
367.26620	7.7
381.24249	1.8
383.26001	3.8
385.23834	31.9
386.23969	3.6
393.24301	10.5
397.23947	1.4
411.25415	60.0
412.25790	10.9
425.26834	8.4
433.27295	2.1
443.27957	1.4
451.28366	3.2
455.23938	1.9
473.25580	4.6
513.28070	1.5
531.29675	100.0
532.30005	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	532.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02128	16.9
59.73075	16.7
61.98707	97.9
66.75816	15.3
71.01869	38.7
126.29816	17.7
132.56061	21.1
195.34526	17.6
355.27545	17.7
459.18045	100.0
473.19864	28.4
503.42624	18.6
518.19733	71.2
533.21851	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
62.83047	0.8
65.46727	0.8
67.01767	2.2
71.01238	2.7
71.45570	1.5
72.54270	0.7
83.04871	0.8
85.02824	10.3
87.00755	3.6
93.03337	13.0
97.50718	0.7
108.02053	1.7
109.02846	6.2
111.04401	1.9
115.00252	1.3
120.54339	0.7
121.02831	1.6
123.04382	1.0
124.78873	0.7
127.03876	2.2
135.04399	4.2
147.04442	1.0
147.77730	0.8
160.89253	0.9
161.06003	3.4
173.04488	6.3
179.03368	1.3
182.31528	0.8
187.04002	1.3
191.05537	100.0
192.05911	3.5
241.05009	4.4
242.05777	7.1
243.06551	4.4
271.09793	10.6
289.05646	3.3
297.07639	4.7
341.06863	2.1
353.08588	1.4
359.07666	11.6
360.08102	1.3
429.80264	0.9
465.80725	0.8
489.13538	1.2
533.13019	28.2
534.13330	3.1
541.43054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.4
58.94336	0.4
59.01262	1.9
59.70495	0.3
62.42971	0.4
65.56009	0.3
67.01733	0.5
69.19125	0.3
69.55675	2.4
71.01232	1.1
72.99177	0.6
83.04903	0.6
85.02830	1.7
87.00752	0.8
89.02325	0.6
93.03333	4.7
96.95872	0.4
107.04930	0.6
109.02811	1.8
111.04414	2.3
117.03394	0.7
123.04413	3.2
127.03912	0.5
133.02867	1.1
134.03653	1.1
135.04417	100.0
136.04745	4.5
137.01410	0.4
137.02328	2.0
151.03860	0.3
153.05492	4.0
155.03410	2.5
161.02336	2.6
165.01811	0.5
167.03423	2.1
173.04477	12.0
174.04796	0.8
179.03421	5.6
191.05540	21.7
192.05916	0.9
197.04482	7.6
198.04782	0.5
233.06657	0.6
277.94165	0.4
313.34851	0.4
335.07675	1.8
341.08685	1.3
353.08783	4.7
360.50815	0.4
371.09808	37.3
372.10059	3.1
410.39926	0.4
465.10776	0.4
533.12903	1.3
534.13562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31768	0.3
56.35708	0.3
57.03280	0.3
59.01242	1.8
59.37078	0.3
60.52854	0.3
67.01769	0.8
69.48043	1.7
69.48450	0.9
71.01254	1.8
72.99195	0.5
75.00728	0.3
81.03333	0.7
83.04874	0.5
85.02825	6.8
87.00754	2.5
88.60433	0.4
89.02340	0.4
91.70755	0.4
93.03331	8.5
95.01308	0.4
101.02334	0.4
107.04907	0.7
109.02840	2.7
111.04413	3.3
111.69462	0.3
114.73296	0.3
117.03323	0.6
121.02843	0.9
123.04396	1.8
125.02381	0.7
127.03913	1.9
131.04582	0.3
133.02844	1.5
134.03635	2.3
135.04417	68.8
136.04756	3.1
137.02354	6.1
147.04411	0.4
149.05817	0.4
149.30844	0.3
153.05481	1.0
155.03404	3.6
161.02345	6.8
161.32596	0.4
162.02716	0.5
167.03413	0.8
168.39293	0.4
171.02914	0.7
173.04478	20.3
174.04805	0.9
175.03937	6.1
179.03426	56.9
180.03816	2.8
187.03966	0.9
191.05542	100.0
192.05879	4.6
197.04494	2.1
205.01385	0.4
219.02824	0.5
233.06459	0.4
269.08359	0.4
279.06677	0.5
297.07678	9.4
298.08099	0.9
323.07703	1.8
335.07727	6.5
336.08029	0.8
341.06485	6.9
342.06921	1.1
353.08755	35.8
354.09085	3.3
359.07706	0.7
371.09824	31.4
372.10251	3.5
515.11890	1.0
515.23145	0.5
533.12927	11.6
534.13605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94798	0.2
57.03366	0.2
59.01244	0.9
67.01776	0.3
69.03316	0.2
70.31821	0.2
70.71065	0.5
71.01250	0.7
73.02837	0.3
74.88275	0.2
80.37217	0.2
81.03347	0.2
84.34133	0.1
85.02830	6.4
87.00754	1.3
93.03351	2.3
99.04432	0.4
109.02856	0.7
111.04397	0.7
119.49480	0.1
121.63689	0.2
121.97866	0.2
127.03930	1.6
135.04396	0.5
138.47942	0.2
148.61235	0.1
155.03358	0.3
171.02928	0.5
173.04500	1.2
175.32176	0.2
179.03441	0.2
189.03879	0.2
191.05557	100.0
191.40521	0.2
192.05898	4.9
426.79092	0.2
445.74496	0.2
497.98093	0.2
533.13721	0.3
541.86060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88240	2.5
58.00462	2.9
59.01252	100.0
61.98706	16.5
71.00893	4.7
71.01261	61.4
72.99183	6.1
73.02821	14.8
78.95777	4.8
83.01266	3.8
85.02838	12.5
87.00746	6.5
89.02320	37.0
93.03313	4.8
95.01283	3.1
96.95900	9.8
96.96829	5.1
98.71457	2.6
99.00754	5.5
101.02331	32.8
109.02837	5.6
113.02320	19.0
117.05474	4.2
119.03425	4.7
125.02357	8.5
131.03412	33.4
133.04962	5.7
135.11714	4.0
136.01523	3.4
136.49843	2.4
149.04440	10.2
161.04483	5.1
173.04530	5.4
179.10709	47.1
180.10945	3.8
181.29062	2.5
187.41550	2.9
191.05553	17.3
233.06755	3.0
239.64792	3.2
293.08707	4.6
308.50003	3.1
327.25388	13.2
345.27197	3.0
353.23441	5.2
371.24396	36.7
371.28494	5.1
503.18152	3.1
533.32489	16.5
534.33362	3.6
555.34521	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45078	6.5
59.01241	21.3
61.98706	8.1
83.91526	6.6
98.19775	16.6
107.99686	7.2
129.85878	6.2
143.10693	9.9
185.26129	6.4
336.52429	8.4
344.19937	70.1
345.20358	8.6
358.18121	8.0
376.18994	8.4
377.24738	8.5
395.26035	7.8
453.29999	15.6
497.29077	100.0
498.29327	18.8
533.26788	29.0
534.27161	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	533.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	49.9
61.98694	29.6
69.77312	100.0
71.16732	19.7
78.95774	35.2
87.00737	27.8
96.95874	20.2
98.19887	44.4
99.37811	17.5
102.99355	22.5
132.90193	19.0
163.20711	22.1
191.05513	25.5
219.92409	19.0
308.23193	21.5
380.16031	20.4
439.24869	21.0
448.13727	55.5
487.25079	24.6
533.11206	55.5
533.29828	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	535.1824
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
59.01255	5.5
61.98702	2.4
70.00613	2.3
70.85047	0.6
71.01254	2.5
73.02811	1.5
75.00734	0.6
79.29292	0.7
84.63069	0.8
87.56094	0.7
89.02319	1.4
93.03338	1.2
93.70062	0.6
95.01311	0.8
96.95889	1.9
99.00790	0.6
101.02345	1.5
108.02062	1.0
109.02879	0.7
111.76311	0.7
111.91916	0.6
113.02319	1.3
119.38692	0.6
121.02847	13.8
123.04403	2.9
134.61009	0.7
135.04404	2.5
141.46143	0.6
145.02841	3.0
147.04387	1.8
161.02269	0.7
161.04497	1.0
162.06744	0.7
177.05460	0.8
194.05801	1.7
209.08151	0.6
211.07527	1.6
225.05562	1.4
225.09203	0.6
226.06322	0.7
227.07071	1.4
237.05539	1.5
238.06233	0.8
239.07126	2.5
240.04291	1.2
241.04977	1.3
241.08769	1.6
251.07208	1.2
253.05081	1.9
253.08575	2.3
254.05829	2.2
255.06667	6.1
256.07077	0.7
257.08209	0.9
264.07935	0.8
265.08578	1.3
267.06641	14.5
267.09735	1.1
268.07327	5.3
269.08206	23.8
270.08606	2.9
272.06958	0.7
279.10172	0.9
280.07260	3.3
281.08234	8.5
282.08813	1.9
283.09799	11.0
284.10535	5.0
286.03308	0.7
295.09729	7.4
296.10486	3.6
297.11084	0.7
298.08615	1.0
299.12704	1.1
310.08716	0.8
311.09274	19.4
311.12814	1.5
312.09732	3.5
323.08945	1.1
325.07159	1.8
325.10855	0.8
328.09488	8.0
329.09885	0.8
340.09518	24.1
341.09869	2.8
343.11859	100.0
344.12177	11.0
355.11874	62.0
356.12134	7.5
373.12903	16.4
374.13336	1.8
439.90448	0.7
491.32135	1.7
535.18323	6.0
536.18652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.0
57.03323	1.7
58.00489	0.8
59.01256	87.9
59.75322	1.1
60.01588	1.0
61.98705	3.8
69.98330	0.8
71.00887	1.8
71.01259	19.8
71.04911	0.9
71.54363	1.1
72.99185	3.0
73.02822	7.7
74.79513	0.8
75.00752	100.0
76.01092	1.1
83.01272	3.0
85.02838	6.1
87.00755	4.9
88.00307	1.1
89.02318	11.4
89.29017	0.9
95.01263	1.1
96.95869	1.4
99.00758	1.1
101.02330	13.8
113.02335	8.7
117.01835	1.2
119.03410	3.4
120.32902	0.9
125.02383	1.1
143.03389	1.3
161.04449	4.3
179.05551	1.4
181.12271	1.2
185.11751	1.6
191.05420	1.0
212.04510	0.9
215.12877	2.8
245.72116	0.9
271.19141	1.5
313.20340	1.4
325.24100	1.4
337.23956	1.1
343.24979	3.9
355.24924	8.3
373.17181	1.8
373.25916	17.6
374.26355	2.5
415.23462	9.1
416.23679	1.4
417.28391	1.7
433.24530	6.5
441.04776	1.1
475.25696	2.7
492.98770	0.9
535.31281	74.6
536.31470	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	17.8
61.98691	12.6
69.43685	9.2
80.47942	8.5
81.57800	8.2
93.37593	9.5
97.46154	9.2
122.98729	8.4
134.33925	11.3
152.99475	25.4
187.02661	10.7
232.25275	9.3
239.13467	9.1
499.31073	11.7
535.28253	100.0
536.28754	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	535.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19547	0.3
54.01807	0.3
55.01747	0.7
57.03320	0.8
58.00468	0.7
59.01254	12.5
61.26654	0.3
61.98710	0.6
62.07004	0.4
71.01256	7.3
71.04889	0.5
71.25713	0.6
72.99185	1.2
73.02821	2.4
75.00742	1.0
83.01269	1.2
85.02832	3.2
87.00753	0.9
87.04370	0.5
88.98691	0.6
89.02322	4.2
95.01262	0.5
99.00763	0.4
101.02330	4.1
102.22922	0.3
113.02349	2.3
119.03407	0.9
125.02279	0.5
125.09606	0.7
127.11133	0.5
137.09592	0.3
143.10628	0.3
155.10707	1.1
169.12254	0.8
171.10175	2.7
185.11731	0.5
201.11317	2.2
215.12840	0.8
270.44858	0.4
313.23721	0.5
325.23810	3.0
337.23950	1.6
341.23071	0.5
343.24902	6.0
355.24887	13.0
356.25174	1.6
357.26724	0.5
371.24619	0.7
373.25925	20.0
374.26270	2.1
413.01859	0.4
505.30157	0.7
517.30579	0.8
535.31250	100.0
536.31543	15.3
536.39850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.6
58.00460	0.9
58.75613	0.6
59.01245	6.2
61.98689	2.5
69.01649	0.6
70.40930	1.8
71.01258	4.4
71.95676	0.6
73.02823	2.2
75.00739	1.2
85.02817	1.3
87.04388	1.4
89.02309	3.2
91.25515	0.6
97.06508	0.7
101.02308	3.0
113.02304	1.6
117.69829	0.6
121.10092	1.2
123.08044	0.8
125.09631	1.6
127.11136	1.1
139.11177	0.6
145.02846	0.7
151.03893	0.7
155.10696	1.8
157.12244	0.6
169.12292	1.8
171.10236	3.6
185.11780	2.6
197.11716	1.3
201.11249	1.3
215.12859	4.0
228.52330	0.7
288.36057	0.7
325.23959	1.8
341.23318	0.7
343.24887	6.2
344.24918	0.9
355.24860	10.1
356.25500	1.4
371.24289	0.8
373.25928	100.0
374.26312	11.4
387.27527	1.4
415.26974	1.0
415.63449	0.7
475.17746	1.3
535.31226	15.5
536.31696	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	536.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32163	4.5
59.01242	22.9
65.00198	4.6
65.99719	8.4
69.77128	11.8
69.77520	9.9
71.01247	15.1
71.19357	4.1
72.99178	5.4
73.02827	7.6
83.01250	6.7
85.02828	9.9
89.02317	8.8
90.03330	5.1
93.03313	8.3
95.01256	10.1
96.95880	20.9
99.00756	20.7
107.01266	10.9
108.02085	5.2
108.97595	4.1
109.02847	21.2
110.00028	6.5
111.00743	21.5
113.02309	6.2
121.02831	7.2
122.02307	4.1
123.00764	35.1
124.01596	8.4
125.02352	10.2
133.02840	9.1
134.02377	8.7
135.00758	6.0
135.04356	5.2
136.98694	5.6
137.02335	19.9
138.01830	5.3
139.00294	23.6
141.01836	14.4
148.01556	25.5
149.02301	18.0
151.00284	31.6
151.03876	5.3
152.01076	10.4
153.01836	26.0
158.02417	4.9
159.04393	5.4
161.02341	18.8
162.01868	13.4
163.00237	13.1
164.00992	9.4
164.98175	6.4
165.01869	22.1
165.98936	5.6
166.99791	36.9
167.02135	9.2
168.00435	7.5
169.01279	6.6
171.04424	7.3
175.00337	8.3
175.03943	6.1
177.01837	18.2
178.01408	13.5
178.99774	21.8
180.02888	18.2
186.01892	8.2
188.03357	6.8
189.01947	7.1
190.99815	6.3
191.03799	6.1
191.05539	37.6
192.00526	22.0
192.05902	13.7
193.01358	46.5
194.99266	9.9
199.03975	8.9
202.01294	10.9
202.99742	5.7
203.01718	5.3
203.03485	6.6
204.02846	11.4
205.01405	9.6
206.00804	7.9
206.99295	6.5
208.00075	8.5
209.00674	7.3
211.03932	7.2
215.03407	14.9
217.01430	7.2
220.02419	16.7
227.03569	5.4
229.01527	5.6
230.00858	7.6
231.02998	9.2
239.03436	7.1
243.02937	19.7
245.00784	8.3
246.00656	4.5
255.02896	8.6
259.02438	14.0
261.04056	5.6
266.04526	7.4
267.03036	5.8
270.04114	6.5
271.02365	31.8
272.02927	7.0
283.02411	9.6
285.03915	10.7
287.02020	33.0
288.02435	8.5
299.01987	9.0
300.02649	11.1
301.03394	17.1
310.03534	15.2
311.01883	13.9
312.04861	6.1
315.01404	50.2
316.02301	22.2
317.02786	11.9
329.02911	17.9
333.02515	10.0
338.03030	20.8
355.02670	21.1
355.07153	23.4
356.04092	59.6
371.06467	10.2
373.04099	13.3
373.08047	8.8
374.05029	8.7
395.06708	5.4
400.08954	22.7
410.07278	15.9
463.09009	9.2
478.07376	19.0
490.10419	5.5
491.08005	11.8
491.32211	28.3
492.32260	14.3
495.07462	8.4
509.09302	39.6
518.09473	55.0
519.09332	7.3
536.10339	100.0
537.10718	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	536.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.2
59.01248	1.8
61.98703	100.0
62.98415	0.2
69.82365	0.2
71.01257	1.3
71.54481	0.2
73.02825	0.5
75.00757	0.4
78.70988	0.2
83.01271	0.2
85.02845	0.5
88.98687	0.3
89.02328	0.8
96.95881	0.5
99.00802	0.3
101.02341	0.6
109.02834	0.4
109.31076	0.2
113.02351	0.5
119.04932	0.4
121.02881	0.3
125.02399	0.3
131.03418	0.3
135.04436	0.3
137.02377	0.3
145.02892	0.6
149.02425	0.4
161.02364	0.2
161.04494	0.2
161.05943	0.2
163.03979	0.8
163.06067	0.2
164.29123	0.2
165.05472	0.2
166.06277	0.6
167.07054	0.3
181.08658	0.5
191.05569	0.4
199.75859	0.2
204.71567	0.2
205.05118	0.4
250.06227	0.2
265.07205	0.6
267.06613	0.7
279.06650	0.3
294.09195	0.2
295.06128	2.4
309.07788	0.2
310.08463	1.4
311.09521	0.2
312.09961	0.2
325.10825	2.9
327.12292	0.5
355.12125	0.5
373.26166	1.1
374.17099	0.4
374.26477	0.7
375.27542	1.3
390.59824	0.2
401.16275	0.6
489.19577	0.3
535.31134	1.2
536.31799	1.4
537.20673	1.1
537.32623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.0
58.00468	1.2
59.01252	21.5
61.98703	59.5
69.56680	5.0
71.01259	11.7
72.99181	1.1
73.02818	3.9
83.01259	1.3
85.02825	4.9
87.00765	1.5
89.02326	8.9
93.03336	1.0
95.01258	1.0
96.95887	0.8
99.00777	0.9
101.02323	7.7
113.02371	3.9
117.03338	1.9
119.03377	2.3
119.04920	9.0
121.02836	2.7
125.09612	1.4
133.06490	2.8
142.76570	0.8
145.02866	19.4
147.04425	3.7
149.02303	5.6
153.30640	0.8
155.10654	1.8
161.05998	9.6
162.03120	1.3
163.03928	15.7
164.04411	1.3
169.12274	1.3
171.10176	3.6
177.05486	3.3
191.05708	1.0
195.06572	1.4
201.11198	2.5
205.05013	13.0
235.06113	10.9
265.07181	19.3
266.07654	1.2
285.20840	1.6
286.37866	1.0
292.07178	1.0
311.09119	1.0
311.22159	1.1
325.09329	6.9
325.23959	0.9
327.10812	1.9
328.13031	1.1
329.23166	1.4
339.25467	2.3
341.10260	2.0
343.24979	2.1
344.25171	1.7
355.25046	4.2
356.25146	3.0
357.26459	18.2
358.26773	1.1
373.25952	10.2
374.26373	5.6
375.27521	26.4
400.58453	0.9
417.29382	0.8
473.14636	4.5
474.14597	1.5
507.19913	3.8
535.31268	35.9
536.24353	0.7
536.31561	32.7
537.21234	4.9
537.32794	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	536.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	2.8
58.00463	1.5
59.00995	1.3
59.01252	18.9
61.98704	100.0
68.61752	1.1
69.21249	8.6
71.01254	14.8
73.02821	2.5
83.01240	1.2
85.02821	4.6
87.00771	1.6
89.02318	9.0
91.40795	1.2
93.03373	1.3
96.95905	1.9
101.02308	8.0
113.02312	4.1
117.03328	3.6
119.03377	2.6
119.04910	18.6
121.02836	4.4
125.02415	1.1
125.09592	1.2
133.06519	4.9
134.38741	1.0
143.10652	1.3
145.02856	33.2
146.03188	2.5
147.04424	4.0
149.02315	7.2
155.10669	1.5
157.43231	1.0
161.05962	10.4
162.03043	1.0
162.06416	1.3
163.03920	24.1
164.04472	1.7
171.10213	2.4
177.05479	6.8
187.03885	1.7
191.05537	1.4
195.06593	1.7
205.05009	17.9
206.05249	2.0
210.47923	1.1
217.20882	1.1
235.06091	20.3
236.06396	1.3
245.43660	1.0
248.76123	1.3
265.07166	34.7
266.07373	3.4
285.20605	1.3
301.78799	1.1
325.09238	14.7
326.09619	2.4
327.10873	4.3
339.25397	2.1
341.10321	3.1
344.25443	1.0
355.24899	3.6
356.25226	2.8
356.32605	1.0
357.26450	15.8
373.25867	7.9
374.26218	4.5
375.27542	24.5
473.14542	10.3
474.14990	2.5
507.20224	4.6
535.23090	1.4
535.31226	38.3
536.31567	36.6
537.21509	5.3
537.32788	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42220	1.2
55.50716	1.1
59.01238	1.4
59.23969	1.1
59.86195	1.2
60.99176	20.0
69.40353	10.1
88.98679	100.0
98.19711	2.3
109.02825	2.0
112.03933	1.2
121.02813	1.5
125.18146	1.4
133.61996	1.4
137.39163	1.2
151.00264	6.9
156.33110	1.3
164.01306	1.3
178.99783	3.4
196.33217	1.3
227.03488	1.9
243.02898	3.9
245.04349	2.1
255.02982	12.1
271.02472	25.0
272.02859	1.6
283.02322	1.7
300.02713	46.1
301.03452	28.9
302.03793	2.7
442.29871	1.4
447.09338	64.1
448.09827	8.8
537.11151	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	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27985	1.3
59.01247	11.3
59.73118	1.3
60.99184	17.8
65.09251	1.3
71.01267	6.5
73.51080	1.2
74.98974	2.1
81.88614	1.4
82.05799	1.6
85.02843	2.6
88.98683	100.0
89.02314	6.9
101.02319	5.0
104.64429	1.6
108.02010	1.5
113.02318	2.0
119.03395	1.7
121.02850	2.6
134.03668	1.9
146.03642	7.3
151.00279	7.6
151.03958	2.2
161.02309	1.7
161.05997	3.6
163.03947	1.9
163.68431	1.3
164.04691	3.8
164.55490	1.3
169.01161	1.3
175.71446	1.5
178.99797	3.7
179.05594	2.9
179.07053	11.3
227.03455	2.6
228.07330	2.1
229.49113	2.1
243.02864	2.7
255.03011	10.5
259.70245	1.4
270.99820	1.6
271.02512	21.2
272.03006	1.9
300.02744	47.8
301.03491	37.9
302.03943	2.0
353.76245	1.5
447.09326	62.4
448.09622	9.7
492.16821	2.4
504.16183	1.8
507.18765	10.4
508.19107	1.9
519.18591	5.5
537.32098	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	537.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01252	5.6
61.98705	0.7
65.03843	3.5
67.01762	1.7
69.24712	3.8
71.01254	4.7
72.99186	0.9
73.02814	1.2
85.02831	0.9
87.00742	0.8
88.98692	1.9
89.02328	4.4
91.01783	12.1
96.95911	2.8
97.02829	0.5
97.06504	0.5
99.00770	0.7
101.02336	1.8
105.01806	0.5
109.02843	25.7
110.03207	0.7
113.02327	1.2
121.02848	0.5
125.02346	1.6
135.00789	37.3
135.98283	0.6
136.01164	1.3
145.95302	0.4
149.04453	0.6
153.01854	100.0
154.02190	3.9
163.03862	0.7
177.01804	0.4
191.05595	0.9
200.03522	0.5
210.60304	0.4
233.06624	1.4
241.13986	0.4
243.06566	0.5
248.82803	0.5
255.03018	0.7
274.14551	0.4
293.08826	1.1
297.05978	0.6
300.02823	0.7
301.03336	0.6
357.26349	2.3
375.27536	3.7
429.10352	6.1
430.10724	0.7
431.09930	1.1
447.09274	1.1
536.32098	2.1
536.38861	0.5
536.77802	0.5
537.24445	1.1
537.32806	20.6
538.33130	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	537.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69514	1.6
59.01252	3.0
61.98694	6.3
67.60505	1.6
69.18001	2.1
70.74726	5.3
71.01234	1.9
72.21800	1.6
75.00748	4.2
82.37310	1.8
88.98716	1.9
91.01785	3.7
108.02065	13.4
109.02863	2.6
112.92819	1.7
121.02830	8.4
123.04399	3.4
135.00807	6.9
135.04451	9.9
137.02335	3.9
145.02809	3.0
152.01067	4.9
155.04538	1.6
180.07870	33.3
181.08257	1.9
195.10213	5.5
208.07382	8.2
223.09727	76.0
224.10020	5.3
237.05475	2.0
238.06273	2.1
241.87924	1.8
243.06638	40.4
244.06958	3.6
251.03642	1.9
252.04361	2.4
253.05191	2.1
265.05029	7.0
269.08170	2.5
278.05649	2.5
280.07401	3.5
281.08228	2.4
282.08810	2.0
283.09808	4.1
289.04959	2.8
295.09702	4.5
296.10437	5.4
297.11356	4.2
298.08075	1.9
310.08557	3.9
311.09406	2.0
312.09940	2.7
313.10892	5.3
323.09158	2.4
324.10034	5.9
325.10834	21.2
326.11343	2.8
327.12387	3.1
328.13229	4.4
339.12451	9.9
340.13184	10.2
354.10599	2.1
368.12506	7.2
371.09189	2.4
371.14987	4.7
373.45541	2.6
380.12354	1.9
383.15076	30.8
384.15298	4.4
399.12512	2.8
415.11798	2.1
416.12949	3.5
417.13446	3.4
427.11929	2.4
429.13870	3.3
431.15121	3.5
432.12103	2.2
438.33075	2.2
441.13400	2.7
442.13507	2.0
443.14981	6.3
444.12204	6.5
447.14444	6.8
455.14801	2.2
458.17194	2.0
459.14478	29.1
460.14929	6.7
462.16907	14.3
471.14465	7.3
472.14578	2.2
474.16888	16.8
475.17227	7.8
477.12708	4.0
477.19226	63.7
478.19492	13.3
486.16867	6.2
489.19241	100.0
490.19568	19.1
491.20935	4.9
501.19296	25.8
502.19580	3.7
507.20377	21.8
508.20456	5.7
519.20319	58.7
520.20660	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	537.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01253	8.2
61.98700	1.1
70.38290	1.4
71.01250	4.6
72.99187	0.4
73.02818	1.2
73.28662	0.5
83.01267	0.6
84.65437	0.5
85.02819	1.8
87.00746	0.7
88.98678	1.7
89.02315	3.0
93.03361	0.9
97.63580	0.5
100.34316	0.5
101.02299	2.5
107.04965	0.6
108.02052	14.9
109.02843	12.7
113.02335	1.7
121.02838	4.2
122.03609	0.8
123.04409	7.8
127.11156	0.5
129.66827	0.5
135.04388	1.4
137.02327	0.8
145.02873	1.4
147.04550	0.6
149.02420	0.7
149.04532	0.8
150.03137	3.5
159.04408	1.2
165.05467	1.1
171.10236	0.8
173.05992	1.9
186.06863	0.5
187.07278	0.5
191.05582	0.6
197.05954	0.7
201.05568	0.9
203.07095	1.4
204.07805	3.3
219.10225	1.3
229.08662	1.3
231.06493	1.1
232.07326	1.1
237.05623	0.7
244.38579	0.7
247.09749	2.3
249.05443	0.8
250.06097	0.7
251.06978	0.7
252.04121	0.9
253.05052	2.4
261.05685	0.9
265.05283	0.6
267.06567	2.0
268.07257	0.6
271.02472	0.7
275.07083	1.2
276.07739	0.7
277.05057	1.8
277.08118	0.7
277.10812	2.2
278.05734	1.5
279.06662	2.5
280.07217	1.1
281.08179	2.2
283.09805	0.9
288.07803	0.8
289.08713	1.7
290.05869	0.8
291.06638	3.7
291.10187	1.0
292.07336	1.7
293.08084	2.3
294.08899	0.6
295.09763	2.0
297.11389	1.2
303.06635	2.6
304.07303	2.6
305.08160	5.1
306.08673	1.4
307.09860	3.0
308.09946	0.9
309.07675	1.4
309.11218	1.2
310.08231	0.7
311.09259	3.6
311.12289	0.6
316.07370	1.1
317.08163	2.9
318.08817	1.8
319.09622	3.0
321.07605	1.4
321.11288	1.0
322.08401	1.1
323.09241	1.1
325.10803	2.3
326.11661	2.4
327.12405	3.9
333.07581	0.9
334.08545	1.1
335.09210	6.8
336.09888	2.9
337.10825	2.5
339.12366	1.1
339.25415	1.0
340.09613	1.1
341.10376	0.7
341.14087	2.5
347.09253	1.0
348.10095	0.8
349.10760	2.7
350.11581	6.1
351.12149	1.7
353.10144	0.8
355.11859	1.1
357.08054	0.7
357.26477	6.9
358.14240	2.3
365.10080	1.2
365.14102	1.3
366.10965	1.4
367.11887	2.4
369.10956	0.6
373.11591	0.7
373.16391	1.2
375.27499	13.2
376.27905	1.4
379.11768	0.7
380.12769	3.6
381.13303	1.1
383.14859	0.8
385.06949	1.6
386.07843	0.7
395.14789	0.9
401.10370	3.8
401.16034	10.8
402.16467	2.0
411.12799	1.0
413.10394	1.4
413.16061	2.0
416.12674	0.7
426.11050	0.9
427.11844	1.9
428.12515	0.8
429.13617	1.2
441.13348	1.9
442.14334	0.7
443.14847	2.3
447.09070	1.0
447.14603	1.1
455.15067	0.8
458.13791	1.0
459.14526	6.5
460.14880	1.1
461.15906	1.6
471.14529	0.7
473.16019	5.6
474.16339	1.1
489.15387	4.4
490.15836	1.2
492.18002	1.2
504.17932	9.2
505.18298	1.2
507.20261	17.6
508.20602	3.4
509.21844	0.8
519.20233	100.0
520.20581	20.3
536.31519	1.1
537.22272	1.9
537.32758	36.6
538.33008	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	537.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99601	1.0
55.01762	1.3
55.27031	1.1
56.98664	1.0
57.03312	2.0
58.00451	1.6
59.01254	24.0
60.99171	1.2
61.98700	8.1
62.67712	1.1
69.03338	1.8
70.94616	2.3
71.01254	17.3
72.99176	2.5
73.02823	4.8
75.00748	1.7
83.01276	2.3
85.02824	7.1
87.00742	2.8
88.98682	5.3
89.02325	14.0
93.03344	1.3
95.01278	2.1
96.95885	10.1
99.00761	1.9
101.02335	12.7
108.02072	4.7
109.02853	4.5
113.02338	6.5
119.03387	4.9
121.02842	3.4
123.04438	2.6
123.08014	1.1
125.02370	2.0
125.09618	1.3
127.11151	1.3
128.03442	1.7
134.03798	1.1
135.04491	2.2
137.02298	1.3
143.04546	1.1
143.10728	1.4
143.19194	1.1
149.04384	2.2
150.03120	1.1
155.10648	1.2
159.04471	1.1
161.04488	2.8
165.05489	1.2
166.06273	1.4
171.10226	3.6
186.59380	1.0
209.11740	1.6
241.14442	1.9
251.20169	1.2
255.06656	1.6
267.06403	2.7
269.21249	1.3
271.02658	1.1
271.19064	1.4
291.06671	1.2
293.08179	1.3
295.06161	2.4
300.02774	1.4
301.03409	1.8
310.08514	1.7
315.18533	1.7
325.10852	3.4
327.12479	3.0
329.23282	2.0
335.08920	1.7
339.25961	1.3
343.25159	1.2
350.11517	1.8
357.26419	19.7
358.26831	3.1
362.54535	1.3
373.26053	3.7
374.26010	2.2
375.27509	100.0
376.27832	13.1
376.32309	1.8
389.28976	1.5
401.10895	1.8
401.15857	6.5
447.09155	1.8
459.14719	1.9
473.16025	1.4
477.23984	5.4
478.23819	1.7
489.15463	2.0
504.18274	2.4
507.20279	8.1
508.20432	2.5
519.20294	21.8
519.27802	1.6
520.20441	5.1
522.56360	1.3
537.20929	2.7
537.32861	67.4
538.20270	1.6
538.33441	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	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91335	0.3
55.01735	0.6
57.03317	1.6
58.00464	0.8
59.01254	10.8
61.98706	6.9
65.25974	0.4
66.43417	0.4
69.56799	2.4
71.01257	6.7
71.19380	0.4
71.19829	0.3
72.99161	0.5
73.02808	1.7
75.00757	0.6
83.01266	1.6
85.02840	2.4
85.93075	0.5
85.99947	0.5
87.00741	0.8
87.27001	0.5
89.02319	4.1
95.01251	0.7
96.95866	0.5
101.02334	4.0
111.04379	0.4
113.02321	1.9
119.03393	1.0
119.04938	0.9
123.08025	0.5
125.09631	1.4
127.11169	0.9
137.09605	0.5
145.02834	1.5
146.03146	0.9
149.02354	0.7
150.03049	0.6
155.10677	1.7
161.05995	0.6
163.03940	1.5
164.04567	0.6
171.10188	2.7
177.05441	0.7
191.05545	0.5
201.11324	0.9
205.05025	0.6
206.05318	0.7
235.06120	0.7
236.06339	0.5
243.06577	0.5
246.73734	0.6
251.20145	0.5
265.07178	1.2
266.07584	1.2
286.56171	0.4
293.21323	0.5
326.09991	0.5
329.23389	1.0
339.25473	1.5
355.24838	0.5
357.26474	17.6
358.26855	2.3
373.25912	1.4
375.27527	29.7
376.27780	3.5
507.19284	0.5
519.31738	0.6
537.32794	100.0
538.21051	0.9
538.33124	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	537.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03289	2.0
59.01256	7.9
61.98681	1.7
64.89720	0.6
65.12383	0.7
70.30647	1.6
71.01264	6.6
72.99167	1.1
73.02802	1.7
74.60037	0.7
75.00709	1.1
77.02883	0.7
83.01228	0.7
85.02803	2.0
87.04418	0.8
88.98656	2.2
89.02337	4.9
89.02802	1.0
95.01246	0.7
96.95860	1.7
99.00723	1.1
101.02335	4.2
108.02020	2.6
109.02798	2.1
111.11633	0.7
113.02303	2.1
116.31326	0.6
118.90842	0.7
119.03397	1.1
121.02832	1.6
123.04407	1.4
125.09588	1.3
127.11143	1.7
143.10721	0.8
146.51065	0.8
150.03096	1.1
155.10652	1.9
161.04486	0.8
167.10637	0.9
171.10210	2.0
201.14967	0.7
278.05637	0.9
295.06158	1.2
296.06601	0.7
325.10889	1.9
327.12329	1.4
327.21469	0.7
329.23294	1.4
357.26474	9.8
358.14322	0.9
358.26886	1.6
365.10312	0.7
366.11060	0.7
373.26144	1.9
374.26575	0.9
375.27545	100.0
376.27859	14.6
389.28943	1.2
401.16040	2.0
417.28665	1.9
447.09949	0.9
459.14624	1.5
477.23285	1.8
504.18161	0.9
507.20361	4.4
519.20343	14.0
520.20532	3.4
537.20599	1.5
537.32922	27.6
538.33270	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	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	57.9
69.28357	5.0
69.71018	14.9
69.71433	11.6
71.01250	38.1
73.02808	5.7
78.05961	5.6
85.02840	7.3
87.00755	14.1
89.02319	55.3
89.19132	5.2
101.02328	30.7
113.02341	13.1
119.03397	8.4
149.04424	6.3
161.04501	9.6
179.05536	49.4
181.19730	5.5
200.82285	5.7
221.06638	30.6
341.10724	5.9
377.08496	22.2
503.16190	100.0
504.16611	14.9
539.13934	49.0
540.14471	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.3
57.03307	1.8
58.00461	1.4
59.01255	15.7
62.42895	1.1
66.40993	1.2
70.30441	3.9
71.01255	19.5
72.99167	1.9
73.02811	7.0
83.01254	4.5
85.02826	8.8
89.02329	4.0
93.03336	2.7
96.95877	2.0
99.00774	2.6
101.02338	14.7
113.02351	5.4
119.03362	2.7
121.02865	4.2
121.49707	1.4
122.03625	4.1
133.02856	4.5
146.60617	1.3
149.02365	24.3
150.03145	40.9
151.03369	1.5
164.04669	3.2
165.05492	33.1
166.06122	4.4
180.04173	2.3
181.08604	3.7
195.06601	14.8
304.14407	1.5
314.11514	6.0
315.11938	1.7
318.66327	1.8
321.77274	1.2
329.13989	13.1
330.14371	2.3
332.47479	1.3
343.13892	12.9
347.17072	7.0
382.29114	1.5
479.21185	4.2
491.19244	100.0
492.19781	14.3
512.37848	1.6
539.21350	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32154	1.3
57.03320	2.9
58.00470	3.9
59.01252	97.5
67.01767	1.3
70.30492	3.8
71.01254	70.6
72.01592	1.5
72.99188	3.6
73.02826	3.5
83.01259	2.8
85.02826	14.5
87.00761	5.7
89.02319	100.0
93.03341	2.3
95.01265	5.4
96.95911	2.1
99.00763	1.9
101.02315	35.6
108.02050	2.3
109.02783	1.4
113.01536	1.4
113.02337	31.3
119.03397	37.5
120.03739	1.6
121.02833	7.1
122.03625	9.3
123.00760	1.5
123.04410	1.9
131.03412	5.2
133.02879	3.3
135.04388	2.5
143.03400	8.9
145.02866	2.5
149.02351	20.5
149.04384	2.9
150.03137	62.2
151.03500	2.6
161.02328	3.6
161.04478	5.9
162.03136	15.2
164.04704	5.4
165.05496	57.6
166.06268	12.1
177.01872	2.1
177.05515	13.8
179.05539	17.1
180.04257	6.7
181.01485	1.2
181.08627	5.9
195.06587	36.8
196.06966	2.1
197.04440	1.3
308.76007	1.2
314.11655	2.8
329.13937	5.6
343.13922	11.3
478.69510	1.8
491.19199	65.1
492.19571	9.2
539.14124	1.5
539.21722	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	539.229
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
50.36378	0.9
57.02760	1.1
59.01250	6.5
61.98700	8.8
69.46449	6.0
71.01264	3.4
72.99181	5.5
73.02802	1.3
87.04388	1.1
88.98695	2.3
89.02346	2.9
91.00257	4.4
93.03336	1.6
96.68173	1.0
96.95877	1.2
99.85782	1.0
101.02364	1.9
108.02061	2.4
109.02847	4.0
111.04371	1.4
121.02849	14.4
122.03680	4.6
123.04447	2.3
124.01553	2.3
124.67649	1.0
125.02338	1.5
134.03648	2.6
135.04399	5.1
137.02327	6.7
145.02879	1.3
146.03691	2.1
147.04404	9.5
149.04454	2.1
149.05957	2.7
151.03897	1.5
154.02625	1.6
159.04503	1.8
161.06003	5.0
163.03928	2.2
164.04773	1.3
165.05479	17.8
166.74022	1.1
173.05956	1.4
178.51485	0.9
179.07039	6.7
191.07111	1.3
211.07617	1.1
211.13374	1.4
224.58693	1.1
225.05479	2.2
226.06349	3.2
237.05574	2.7
238.06294	4.5
239.07094	4.4
242.05814	1.2
243.06462	1.6
251.07217	1.2
253.05057	3.0
254.05780	7.6
255.06606	6.0
257.08145	2.2
265.05350	1.7
265.08664	1.1
266.05902	4.9
267.06607	7.3
268.07388	3.0
269.08157	6.6
270.08618	2.2
271.09760	1.1
273.11206	1.9
281.08176	5.6
282.08957	10.5
283.09698	2.8
286.04852	2.4
288.10507	1.4
293.08325	1.8
294.09015	4.1
295.09738	13.3
297.07755	1.1
297.11288	1.7
298.05078	1.2
298.08328	2.3
303.12381	14.9
304.12625	1.9
307.09760	1.7
308.10464	1.6
309.11240	6.2
311.09158	2.0
312.10013	2.2
313.10745	5.6
314.08005	8.7
314.11200	1.5
324.09998	2.1
325.10818	3.2
326.11404	1.8
327.12372	3.2
328.13074	2.9
339.12350	4.1
353.14169	1.9
403.17630	1.7
419.15030	1.3
430.14090	1.5
431.14230	1.2
443.14819	1.1
445.16559	3.1
449.16010	15.0
450.16428	3.5
461.15952	1.4
463.17615	4.0
475.17517	4.1
479.16919	6.8
480.17340	1.7
491.17145	11.2
492.17337	2.0
494.19455	10.3
495.19647	1.5
495.29675	1.9
506.19470	9.3
507.19818	1.9
509.21835	96.8
510.22226	18.3
521.21826	100.0
522.22089	20.4
539.29071	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	539.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
60.01604	0.7
61.98716	1.9
66.89633	0.5
69.35631	2.9
71.01248	0.5
74.02374	0.6
80.96410	0.8
134.48465	0.4
134.78696	0.5
139.07608	0.5
187.09578	0.5
191.05630	1.0
225.00888	0.5
270.59457	0.5
281.10126	0.5
298.83810	0.5
410.15482	0.5
435.29160	5.8
436.29434	1.1
478.38358	0.5
479.27951	8.4
480.28433	1.6
539.25354	1.1
540.26514	0.6
547.19702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	15.4
61.98708	41.2
70.28831	15.3
73.38419	4.9
78.95770	4.9
137.00032	5.8
181.20764	4.8
224.26183	5.0
224.28571	5.7
256.02692	6.5
258.19055	5.0
383.17154	5.6
435.25070	9.7
479.27960	100.0
480.28284	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.9
61.98702	100.0
71.01253	19.6
73.02838	1.8
78.95790	5.6
83.04908	1.9
87.00745	8.5
89.02318	46.4
96.95895	1.9
111.04420	1.7
111.30534	1.3
119.89335	1.4
124.18587	1.3
125.94701	1.3
134.01923	1.2
136.05190	16.0
148.05247	3.2
149.05998	2.0
150.06714	1.7
151.07582	1.3
152.99515	2.5
157.06479	1.6
159.04500	2.5
160.05249	4.0
162.06786	7.6
163.07567	10.9
164.04695	25.3
165.05182	1.6
165.09180	5.1
173.06041	4.9
174.06793	5.7
175.07565	19.7
176.08224	2.3
177.09193	2.7
178.56993	1.5
180.51070	1.2
197.11853	1.5
213.91866	1.4
235.38522	1.3
311.22351	4.3
341.66595	1.4
345.22821	27.5
346.23169	2.1
401.27283	1.4
406.27487	1.4
413.27148	3.1
414.27905	3.1
432.28580	1.4
449.28912	18.7
450.29523	3.1
495.29828	2.8
503.30188	23.9
504.30685	3.7
509.31195	16.0
510.31750	2.5
521.31244	29.5
522.31592	4.9
539.32538	61.4
540.26038	2.1
540.32959	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	540.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59622	0.6
59.01255	3.1
61.98705	100.0
69.39433	1.6
69.39859	3.5
73.83889	0.5
75.12562	0.5
94.64428	0.7
94.65997	0.6
96.32201	0.6
98.20096	2.6
374.32333	0.6
481.52280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89440	3.0
57.12902	2.9
59.00990	4.7
59.01256	52.3
61.49295	3.3
71.01248	36.6
71.53658	4.7
73.02814	22.8
85.02823	9.7
87.00795	4.9
89.02319	39.5
95.01274	4.6
97.06478	5.4
101.02322	16.5
113.02370	17.0
116.29283	3.0
119.03381	14.0
120.80377	3.3
123.70225	3.1
125.05956	13.4
137.09595	4.1
143.07048	67.2
144.07359	3.4
155.10680	93.4
156.10970	4.9
161.04387	6.8
179.05516	11.8
185.20341	3.3
191.05537	7.7
199.09700	56.5
215.30324	3.0
217.10779	86.6
241.10905	6.7
243.68144	3.2
259.11850	4.9
361.15002	4.6
379.16040	100.0
380.16406	8.9
421.17175	5.2
452.65045	3.4
541.21075	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	541.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02000	4.0
59.01260	21.1
64.50032	3.5
69.44785	4.2
71.01260	20.2
71.44501	3.6
73.02808	20.8
73.99624	4.1
76.93788	4.0
79.95617	9.1
87.04364	4.3
89.02321	24.3
93.03382	4.8
95.95051	4.5
96.95921	21.0
97.06484	6.0
98.92431	4.2
101.02299	12.9
102.47344	4.5
113.02339	7.3
119.03382	6.3
125.05936	8.5
137.09660	5.7
143.07034	67.5
152.41545	4.1
155.10696	56.3
173.07005	4.0
179.05510	7.6
191.05528	23.4
196.80659	4.7
199.09644	21.4
217.10756	100.0
218.11072	6.6
259.11868	5.7
305.06708	6.1
330.27341	4.2
361.09842	5.6
379.11295	7.1
379.16006	44.6
380.16437	7.5
440.54984	4.6
467.80713	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	541.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10989	0.4
59.01252	100.0
60.01581	0.8
69.29206	3.8
78.05570	0.4
98.19764	0.8
113.37994	0.5
174.27356	0.5
216.49464	0.4
228.22466	0.5
283.23810	0.5
365.70502	0.5
481.30121	0.6
543.93695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3175
Annotation	16-Deoxycucurbitacin B
Peak:m/z	Relative Intensity
51.33988	1.2
57.03301	1.1
59.01256	21.5
61.17794	1.1
61.98704	2.6
69.03307	1.8
72.99184	10.4
85.06947	0.9
95.63446	1.0
98.19795	3.4
98.24679	1.1
123.08031	1.3
123.46988	1.0
130.96236	1.1
131.99258	0.9
163.04849	1.0
229.79004	1.0
312.45071	1.0
351.23325	1.3
354.84500	1.0
393.24380	2.7
395.25943	3.8
397.27423	3.1
481.29599	100.0
482.29886	21.0
499.30652	80.2
500.31049	16.1
541.31921	21.6
542.32556	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3174
Annotation	16-Deoxycucurbitacin B
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.7
61.98691	4.5
69.41267	11.0
99.04395	3.0
115.26883	1.6
142.18509	1.5
228.82339	1.8
248.91519	1.7
379.26291	3.1
437.30661	13.8
438.31024	3.6
481.29651	15.0
482.29977	2.4
497.32822	9.9
498.33218	1.8
499.30600	32.1
500.30774	6.6
541.31708	11.8
542.32037	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	542.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.9
61.98711	100.0
65.98934	0.9
69.87502	2.7
69.87904	1.6
73.09007	0.9
78.44839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0454
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
50.98431	0.3
59.46780	0.3
71.54205	0.5
84.43542	0.3
85.02825	0.3
90.76530	0.3
90.84459	0.3
96.95872	0.6
107.01257	1.0
125.02287	0.6
133.02809	0.4
149.02301	0.4
151.00287	4.5
153.01846	0.7
163.00273	1.2
169.01422	0.6
174.03160	0.4
175.03856	0.5
178.99779	3.1
188.04666	0.6
190.02617	1.0
190.99835	0.5
191.05536	0.9
193.01247	0.4
203.03490	0.4
216.04196	0.7
226.02667	5.0
227.03400	2.2
228.03865	0.4
243.02948	11.5
244.03334	1.3
254.02168	6.3
255.03011	4.0
256.61212	0.4
271.02475	56.2
272.02963	6.5
273.03882	0.3
299.01874	0.5
300.02747	71.9
301.03369	20.5
302.03845	1.4
343.04535	1.0
426.08850	0.4
444.55911	0.4
463.08817	100.0
464.09119	14.1
464.15778	0.6
543.04492	11.5
544.04840	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3337
Annotation	Luvungin F
Peak:m/z	Relative Intensity
59.01257	100.0
68.91963	2.1
99.04407	10.9
109.75012	2.2
134.12643	2.3
170.61494	2.2
170.63011	2.6
184.16241	2.5
258.71414	2.2
331.07684	2.3
399.28979	3.2
483.31232	47.6
484.31564	9.6
543.25458	4.3
543.33289	60.7
544.33545	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	543.3335
Annotation	Luvungin F
Peak:m/z	Relative Intensity
50.93531	0.5
51.10769	0.6
51.40736	0.5
51.52052	0.5
57.03323	1.2
59.01257	17.1
60.35275	0.6
61.05822	0.6
72.99183	0.6
78.95782	0.8
85.44485	0.5
97.57408	0.6
108.20309	0.6
128.03499	1.3
128.93102	0.6
143.04527	1.1
171.51056	0.6
203.26031	0.6
246.52390	0.7
261.01306	0.6
276.83279	0.6
306.07852	0.7
340.50558	0.5
353.28323	0.9
366.62347	0.6
378.27634	0.6
397.27521	5.4
398.27814	0.7
437.30264	1.4
481.29233	0.6
483.31195	100.0
484.31525	20.4
484.36841	0.5
501.32272	58.2
502.32590	12.0
543.33270	18.5
544.33972	3.6
550.38165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23446	0.5
57.03333	3.4
59.01259	16.2
61.24836	0.6
61.39911	0.6
61.98689	0.7
78.95765	0.8
80.96373	0.9
96.41868	0.6
99.94410	0.6
111.31870	0.7
117.24429	0.6
128.03339	0.9
141.21233	0.7
203.04874	0.7
315.56165	0.7
324.76028	0.7
437.30490	1.5
438.30988	0.8
483.31198	100.0
484.31549	21.2
501.32291	39.1
501.38248	0.6
502.32593	7.7
543.33313	24.5
543.41669	1.3
544.33624	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	543.3329
Annotation	Luvungin A
Peak:m/z	Relative Intensity
59.01251	100.0
61.98692	1.6
78.95792	1.6
81.37907	1.0
84.60499	1.0
89.39351	1.1
99.04440	1.2
146.79939	1.0
191.30742	0.9
278.12354	1.1
394.89493	1.1
483.31277	5.8
484.31662	1.5
541.36884	1.1
543.33466	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	543.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
60.01592	1.3
61.98714	5.2
71.54194	0.5
78.95818	0.6
111.74477	0.4
152.99519	0.5
372.73483	0.4
456.76056	0.4
510.27557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	23.0
59.98243	0.4
60.01601	4.1
61.01680	3.2
61.38776	0.4
61.98709	100.0
65.81287	0.4
98.20561	0.8
127.80259	0.4
129.46100	0.4
192.57790	0.4
302.32263	0.5
321.28625	0.5
488.96365	0.4
505.64246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20318	0.2
79.95600	2.8
96.95889	100.0
97.95815	0.4
107.01308	0.3
109.18322	0.3
120.95618	0.2
121.02827	0.4
151.00281	1.1
151.07516	0.3
154.13197	0.3
178.99780	0.7
243.02887	0.6
255.02963	1.7
271.02438	3.0
272.02664	0.4
300.02750	6.2
301.03516	5.1
302.03769	0.3
447.09335	10.3
448.09613	1.2
482.85962	0.3
545.02509	0.3
545.10474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19845	0.9
53.54112	1.1
59.01237	2.4
69.46909	7.2
85.02828	8.3
87.00724	1.4
93.03320	6.7
99.52135	1.1
111.04407	2.6
115.18891	1.0
123.04420	2.1
127.03915	1.4
130.94113	1.2
131.87956	1.2
161.02382	1.5
165.71413	1.3
173.04424	2.1
179.26746	1.2
191.05547	100.0
192.05853	3.7
203.05536	6.0
239.71149	1.4
244.57069	1.1
347.34659	1.2
353.08865	10.8
354.09018	1.6
364.33667	1.1
446.66196	1.3
461.53870	1.1
520.91016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85126	0.9
51.20150	0.8
57.46490	0.8
59.01265	4.7
59.24869	0.9
69.03333	1.9
71.01243	4.8
71.53637	1.4
72.87483	0.9
72.99177	1.2
73.02822	7.7
74.95865	1.0
77.12225	1.0
81.03329	2.9
83.04904	10.5
85.02821	10.1
87.00731	1.3
89.02326	4.4
93.03342	30.7
94.03658	1.5
95.04890	2.8
95.84618	0.9
97.02822	1.5
98.31112	0.9
99.00749	3.7
99.04382	2.4
101.02324	1.5
105.03297	0.9
108.02065	2.2
109.02821	3.6
110.30394	0.9
111.04406	21.2
112.04691	1.0
113.02318	1.6
113.05965	1.1
119.03449	1.1
123.04413	49.3
124.04759	1.8
125.02328	1.8
135.04390	1.4
137.02353	4.6
139.03905	2.7
141.05470	12.2
143.03322	1.2
155.03462	5.6
158.08076	1.0
171.02832	1.1
173.04466	11.6
179.05560	1.9
185.04478	11.0
191.05515	10.4
203.05547	100.0
204.05824	3.9
204.08737	5.6
205.07103	1.0
341.10916	4.0
353.08792	1.3
371.11737	3.4
506.53522	0.9
551.99091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2758
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
57.03325	11.3
59.01250	31.3
61.98688	5.3
69.03312	1.8
70.59374	4.5
71.01261	15.6
72.99198	8.4
73.02814	3.5
75.00734	6.3
77.17982	1.6
81.03336	3.1
83.01281	2.4
83.04882	3.6
83.05663	1.7
83.33716	1.9
85.02810	7.2
87.00763	1.6
89.02307	10.7
93.03385	2.3
96.95872	4.3
97.06459	5.8
99.00761	1.8
99.04379	15.7
101.02309	12.8
103.00233	4.1
109.02813	2.1
109.06499	1.9
111.08029	22.8
113.02312	9.2
119.03371	3.7
139.07533	3.1
153.08990	1.9
161.04460	6.1
169.12234	7.4
179.05513	3.4
191.05463	3.8
197.11765	95.4
198.12077	6.4
199.13306	5.3
202.86914	1.9
211.13297	11.2
227.12863	3.3
253.09280	47.6
263.20084	5.8
265.18063	2.9
291.19617	30.5
292.20062	3.8
300.02710	3.6
301.03320	2.2
303.19540	3.3
309.20700	94.8
310.21085	6.5
343.19229	4.8
345.20694	3.8
367.22897	2.7
373.23541	1.9
379.22595	6.6
381.20639	7.3
383.22348	5.5
395.22339	2.4
397.23715	6.6
407.22147	6.1
421.27490	3.6
423.25421	2.2
425.22882	10.8
436.24637	2.2
447.09125	2.0
465.26266	6.5
483.27887	2.3
527.26593	5.3
528.25720	2.4
545.27527	100.0
546.27960	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	545.3486
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.33006	1.1
57.03312	3.2
59.01250	10.8
61.50718	1.1
70.43816	1.0
71.54317	1.2
74.94614	1.0
96.95866	1.1
99.04396	7.8
117.72199	1.0
130.57906	0.9
155.46738	0.9
172.06476	1.1
200.20282	0.9
224.20013	1.1
302.07181	1.4
383.29514	1.4
391.56039	1.1
401.30417	2.0
403.28564	1.4
457.33490	1.0
467.31766	11.6
468.32101	2.2
485.32782	16.3
486.32889	3.6
506.23193	1.1
527.33453	1.6
545.34845	100.0
546.35193	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	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80970	2.6
59.01254	40.7
69.45130	21.3
71.01263	34.6
73.02838	7.4
77.26717	2.9
83.21898	4.0
85.02401	3.0
85.02830	18.3
87.00760	11.4
89.02322	26.7
90.06118	3.1
95.01259	4.0
96.95911	7.5
99.00737	3.6
101.02318	33.1
109.06516	3.7
112.93972	2.8
113.02331	39.9
115.00274	6.7
119.03423	12.7
125.02389	4.4
125.06042	3.4
135.04462	5.0
135.11739	19.8
135.96698	3.0
136.01546	3.1
137.02307	3.5
143.03413	5.2
151.03925	4.5
159.08026	3.6
159.11719	4.8
161.04498	17.5
161.09656	13.7
173.04474	12.1
175.02432	13.2
175.11208	2.9
179.05554	13.3
179.10713	100.0
180.11050	5.0
191.05574	30.9
203.10738	8.3
207.13991	3.5
211.06085	7.3
221.06630	7.3
221.11771	8.2
223.09700	83.7
224.10086	5.1
265.10870	12.5
323.10025	4.4
325.12930	5.8
385.15350	15.9
503.28485	6.7
547.20880	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.3
61.98694	2.1
69.30697	2.9
69.31127	2.6
71.01251	7.6
72.99192	0.9
73.02805	2.5
83.01280	0.9
85.02820	10.7
87.00746	5.0
89.02316	5.5
93.03323	6.6
96.95905	5.3
101.02338	4.2
109.02833	5.4
111.04401	1.0
111.67145	0.8
112.98507	0.8
113.02317	2.9
113.34713	0.7
115.00232	2.5
119.03398	1.8
125.02301	1.5
127.03898	2.0
131.03369	1.1
131.57828	0.8
134.03629	1.0
135.04417	13.4
135.11658	1.8
136.04727	0.8
137.02354	1.4
145.02834	1.1
150.03322	0.7
157.12387	0.7
161.02299	1.9
161.04475	2.1
161.09619	1.2
171.02907	1.0
173.04500	6.2
175.02467	7.5
179.03348	1.6
179.05603	1.0
179.10678	12.8
185.02336	1.2
191.05534	100.0
192.05910	4.1
201.01784	0.9
213.01956	1.2
223.09721	12.6
245.04561	3.6
265.10696	1.2
323.05496	1.1
323.09488	0.8
353.08731	1.7
355.08347	7.9
356.08609	1.7
371.09753	3.0
385.15106	1.5
415.23334	0.9
503.28366	1.4
547.14160	2.6
547.21008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
61.98687	0.4
71.01260	0.9
73.02820	0.4
85.02806	0.3
87.00793	0.4
89.02320	0.8
93.03355	0.7
95.65410	0.3
101.02315	0.5
109.02832	2.6
109.84061	0.3
110.45404	0.3
121.02845	10.3
122.03645	5.7
123.04409	3.0
135.04440	1.6
136.05159	0.6
137.02356	1.2
137.05934	0.3
147.04431	0.7
149.05992	1.0
154.02615	1.2
161.05986	2.8
163.03940	2.3
163.07585	0.3
173.05896	0.7
177.05501	0.4
189.05510	0.7
190.06227	1.3
191.05473	0.5
191.07066	3.8
203.06985	0.4
205.08665	0.5
299.12854	1.2
313.10849	2.6
314.10864	0.4
327.12396	1.2
328.13165	31.0
329.13531	4.1
343.15503	100.0
344.15845	12.1
467.44305	0.3
547.30695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91317	0.9
55.01753	3.3
57.03313	3.3
58.00471	1.4
59.01254	70.7
61.98703	6.2
69.03329	0.8
71.01257	40.7
71.53873	1.2
72.99181	3.1
73.02442	1.3
73.02824	17.1
75.00764	7.5
83.01255	7.9
85.02827	24.3
87.00751	2.2
89.02314	6.6
95.01271	2.9
96.95875	4.4
97.02831	2.1
99.00766	7.5
101.02326	41.4
102.02660	1.1
111.00727	1.2
113.02333	17.4
114.02654	1.1
119.03402	2.0
125.02306	1.7
129.01804	1.4
131.03397	47.2
132.03697	1.3
133.82938	0.8
143.03394	2.4
149.04532	1.1
159.02876	3.6
161.04454	22.6
162.04803	0.9
191.05542	1.6
205.03366	2.1
212.80759	0.8
216.86594	0.8
253.09273	1.6
272.95752	0.9
293.17569	0.9
311.22363	1.0
355.21255	100.0
356.21539	11.0
376.41278	0.9
399.20190	2.3
487.25519	16.6
488.25735	1.4
547.29382	10.5
548.29614	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	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.9
57.03323	3.4
58.00462	2.4
59.01251	100.0
61.98706	9.8
64.39679	1.6
67.81278	1.3
71.01254	54.6
71.21488	1.6
72.99183	3.5
73.02829	15.0
75.00748	2.1
83.01265	7.6
85.02824	21.0
87.00772	2.2
88.50354	1.3
89.02319	42.7
95.01266	2.1
96.95894	6.3
99.00747	7.7
101.02322	42.8
113.02335	20.0
116.40582	1.4
119.03387	13.4
125.02335	1.9
129.01846	2.3
131.03404	52.0
131.22089	1.3
132.03690	1.5
139.54549	1.4
143.03374	4.0
149.04469	33.3
159.02859	3.8
161.04456	20.2
179.05486	6.1
191.05563	20.3
221.06601	1.5
251.07639	2.8
294.99689	1.5
311.22415	2.5
355.21262	58.3
356.21533	6.3
399.19897	1.4
487.25504	15.0
488.25836	2.6
547.29480	7.0
548.30200	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	547.2914
Annotation	Paliurine E
Peak:m/z	Relative Intensity
57.03337	1.7
59.01242	3.6
61.98691	2.0
69.31087	0.8
69.44707	5.1
72.99181	8.5
75.00747	52.2
77.11699	0.8
83.04901	4.2
85.02814	5.4
87.00761	1.3
95.04925	1.0
96.95886	2.3
100.63646	0.8
109.06484	9.8
111.04417	1.0
131.35484	0.8
164.30367	0.8
191.05481	1.1
211.13342	1.0
215.31534	0.8
293.21075	1.6
311.22153	2.4
317.17566	7.0
319.19354	1.2
358.49667	1.1
489.24969	2.8
547.29144	100.0
548.29468	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	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13761	1.2
57.96615	1.4
58.00431	1.3
59.01251	39.4
60.29501	1.3
61.98705	100.0
67.79517	1.4
71.01244	8.2
73.02823	3.2
77.25463	1.3
78.95754	1.6
79.12702	1.2
85.02821	2.2
89.02298	4.0
96.95843	1.5
101.02326	7.0
113.02339	3.7
119.03341	2.1
121.02818	1.3
150.26024	1.3
161.04440	3.7
164.03482	2.3
179.05534	1.9
243.80446	1.7
288.36884	1.8
292.19177	1.3
399.23907	4.6
441.25253	1.7
527.17755	1.4
529.93103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75466	0.8
52.79885	0.8
59.01244	2.4
65.00199	1.2
68.08060	0.8
71.01264	1.3
71.02477	1.8
73.02809	1.8
83.01231	1.0
85.02832	0.9
89.02329	1.4
101.02275	1.8
107.01270	3.0
108.02031	1.8
109.02823	1.8
111.76730	0.8
116.02518	0.9
121.02826	1.7
124.06526	0.7
125.02303	1.4
148.01631	1.3
151.00272	9.6
161.04559	0.8
163.00267	3.2
164.00938	0.9
169.01376	0.9
178.99776	4.6
181.12271	5.8
191.05533	1.5
200.92162	0.8
211.03955	1.7
225.11281	5.4
226.02553	1.2
227.03419	3.3
243.02953	13.0
244.03328	2.1
245.04597	0.8
254.02228	2.9
255.02972	32.0
256.03323	3.0
271.02472	68.0
272.02924	8.3
283.02371	1.5
299.01852	1.5
300.02737	100.0
301.03448	34.1
302.03885	2.9
459.21527	0.8
463.08871	3.4
464.09216	1.1
505.09866	52.6
506.10172	9.4
514.41998	1.2
549.29150	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	549.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31398	1.7
56.88326	1.7
59.01254	12.3
60.95590	1.6
65.00203	2.2
71.01266	9.2
72.99179	2.1
73.02818	7.0
74.98977	4.5
83.01236	1.7
85.02834	4.0
87.00740	2.8
88.98744	1.9
89.02337	7.7
93.03344	3.6
95.59735	1.7
96.95872	4.3
99.00791	2.0
100.54465	1.6
101.02335	8.0
107.01252	3.6
108.02008	1.6
109.02830	2.2
113.02339	6.7
119.03391	3.6
120.99540	2.1
125.02338	1.6
136.99092	4.6
151.00310	8.1
158.90799	1.8
161.04497	3.7
161.21204	1.8
161.28130	1.9
163.00249	2.1
163.11217	1.8
173.04468	3.0
178.99773	5.9
179.05650	2.1
181.12276	12.4
191.05589	6.2
211.03964	2.2
225.11293	14.8
227.03465	19.5
229.05023	3.8
243.02957	11.9
249.11559	1.7
255.02985	60.5
256.03430	7.1
257.04745	2.1
267.90656	1.7
271.02496	60.0
272.02844	7.2
277.10751	2.0
284.03275	45.3
285.03976	21.2
300.02777	100.0
301.03519	37.9
302.03867	2.9
311.10446	2.2
337.08539	3.2
357.52145	1.8
369.22266	2.3
387.14807	5.8
387.24054	2.9
463.08759	8.4
505.09940	73.1
506.09973	13.1
534.73846	2.2
549.12329	44.4
549.19543	2.8
549.28583	8.4
550.13049	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	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58137	0.2
59.01250	0.2
60.86850	0.2
64.33519	0.2
71.43426	0.4
77.03846	2.0
92.48519	0.2
95.43367	0.2
105.34113	0.2
121.02847	100.0
122.03176	4.0
131.14249	0.2
136.04259	0.2
137.02353	0.4
147.04451	0.5
165.01848	56.4
166.02173	2.3
180.05725	0.7
181.06535	2.9
197.06052	2.3
207.04448	1.1
223.03963	0.3
225.05478	1.4
257.09714	0.8
285.09027	0.3
288.56946	0.2
313.07166	1.7
357.06122	0.8
383.07562	0.6
417.09674	2.7
419.09717	0.2
505.11435	2.1
540.78491	0.2
549.10394	28.9
550.10712	5.0
572.84406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1253
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
57.39150	0.5
58.97279	0.5
59.01253	3.0
60.94016	0.5
61.98695	0.7
65.00194	0.5
69.03337	0.6
70.14275	1.7
72.99186	0.7
73.02824	1.4
83.01263	0.9
85.02817	1.4
87.00755	1.0
89.02299	1.4
93.03326	1.3
95.01260	0.6
96.95895	1.3
101.02317	1.7
107.01286	2.5
113.02320	1.6
123.04399	1.4
125.02354	0.7
132.02043	0.8
135.00829	1.2
135.04387	1.0
136.01573	0.8
136.04979	0.5
136.99054	0.9
139.03929	0.5
151.00276	2.4
151.03918	1.9
163.00256	1.0
163.11142	0.7
164.00972	0.6
166.02682	0.8
167.03372	0.9
169.01395	0.5
173.04459	0.7
178.99780	1.2
179.03510	1.0
179.10735	0.7
181.04974	1.1
181.12279	2.6
183.04372	0.9
185.06018	0.6
187.03888	0.8
191.05467	3.3
199.03964	0.8
200.04761	0.7
211.03949	1.4
212.04544	0.6
225.11319	2.9
227.03445	35.6
228.03728	3.1
229.05014	1.8
239.03354	0.8
255.02959	72.1
256.03436	8.0
257.04443	1.7
271.02429	1.4
283.02390	1.1
284.03256	100.0
285.03879	23.8
286.04312	1.4
300.02661	1.6
372.12143	0.6
387.14490	1.9
387.23767	3.0
399.07135	1.6
415.48203	0.6
417.08380	1.3
505.09583	0.7
549.12469	70.5
549.28925	2.5
550.12805	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	549.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	3.0
59.01263	39.7
61.98706	4.5
69.39990	17.6
71.01252	23.2
72.99176	4.5
73.02827	18.9
74.98999	3.8
80.33808	2.8
85.02850	8.6
87.00785	4.9
89.02331	25.3
93.03371	4.0
95.01258	4.5
95.04942	4.0
96.95904	7.5
101.02314	18.9
109.06522	4.2
113.02352	10.9
119.03398	7.0
120.99538	3.4
123.04398	3.7
128.86237	2.8
135.04391	3.6
136.39684	2.9
136.99016	3.3
143.03424	5.1
151.00333	6.2
151.03934	3.7
161.02345	4.3
163.11200	10.1
164.44551	2.8
179.05608	8.1
181.12268	68.5
182.12601	5.4
191.05579	12.5
192.05878	4.1
207.10252	5.8
225.11292	100.0
226.11597	7.2
227.03506	9.7
243.02954	6.3
249.11519	6.1
255.03020	25.9
267.11731	3.3
271.02478	31.2
272.03070	3.3
284.03259	14.8
285.03946	7.0
291.12457	4.1
300.02777	52.0
301.03378	19.6
327.14560	4.4
387.16446	9.9
413.87671	3.3
463.09409	4.5
505.09879	36.2
506.10696	5.0
531.27594	3.3
549.12445	11.9
549.21014	4.2
549.28998	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	549.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.6
58.00452	3.1
59.01248	39.2
60.00401	3.1
61.98697	4.9
63.96109	3.1
69.61549	6.3
69.61944	9.1
71.01257	34.1
72.99191	6.1
73.02833	18.3
75.00738	3.9
85.02829	12.6
87.00781	4.7
87.04406	3.8
89.02316	28.5
93.03348	4.6
95.01242	2.9
96.95874	6.6
97.04124	2.7
99.64572	3.2
100.78307	2.8
101.02323	24.7
109.06515	3.0
113.02341	17.0
119.03394	9.1
120.99479	3.9
123.04411	3.6
135.04434	4.2
136.99048	3.5
151.00366	3.2
161.04510	9.6
163.09976	2.9
163.11179	15.9
173.04439	3.3
179.05559	10.0
179.10732	5.3
181.12257	72.2
188.03557	3.0
190.35927	2.9
191.05534	27.9
192.05927	8.2
193.06026	6.2
205.12172	3.5
223.09779	3.8
225.11284	100.0
226.11534	5.0
227.03339	4.2
232.58632	3.4
243.02815	4.4
249.11357	7.4
255.02937	7.4
261.11295	3.3
269.74982	3.1
271.02454	17.6
278.24231	3.0
279.12335	4.7
297.13480	6.2
300.02713	28.0
301.03424	9.2
327.14584	5.8
369.15778	3.8
387.09222	3.9
387.16470	12.8
444.34790	3.1
505.09955	18.0
506.10129	3.6
549.21460	6.4
549.29236	13.0
563.67438	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20527	0.6
59.01255	4.9
60.76997	0.6
61.98714	1.3
69.03318	0.8
69.57127	0.6
71.01259	2.9
71.54838	1.0
73.02830	2.0
81.03334	0.8
85.02840	3.2
87.00760	0.7
89.02312	3.4
93.03326	1.2
95.01270	2.0
96.53497	0.6
96.95885	1.5
99.00765	2.8
108.02058	63.2
109.02854	30.5
110.03168	1.2
121.02847	23.0
122.03160	0.9
123.00805	1.8
125.02362	2.6
125.05971	1.2
131.03513	0.9
133.02806	1.0
134.03690	0.7
135.04430	6.5
149.02347	0.8
149.04462	0.7
151.03937	4.5
152.01060	84.6
153.01622	4.2
161.02354	1.0
163.03929	1.8
165.09113	1.6
173.04433	0.7
175.03938	1.1
179.03418	2.3
187.10995	0.7
187.13161	0.6
191.05530	1.5
191.10709	1.3
209.08154	8.0
235.09697	10.0
243.36642	0.6
283.09644	1.1
283.73105	0.6
311.09256	2.5
326.11560	2.1
329.22943	0.7
330.34814	0.8
341.13937	3.6
353.08792	1.2
375.10883	0.7
389.12372	1.1
389.25323	1.8
397.15112	4.1
419.09949	0.9
551.14038	100.0
551.31067	2.9
552.14325	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	551.3074
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
50.34818	1.0
53.62329	1.1
57.03331	2.1
59.01252	16.6
59.99905	0.8
61.98717	5.4
65.89730	0.9
71.01257	4.1
71.54517	0.8
73.02816	2.6
73.38174	0.8
83.04922	1.5
85.02846	2.0
87.04396	1.3
89.02337	3.5
96.95898	3.2
97.06466	1.2
98.75800	0.9
101.02344	3.9
109.06471	1.2
113.02341	2.4
119.00081	0.9
121.02840	1.3
123.08018	1.3
125.02335	1.6
135.08057	1.3
137.02339	1.4
139.11206	1.3
141.12788	0.9
149.04501	0.9
157.12251	2.5
163.13933	0.8
169.12286	1.9
177.01871	1.0
181.12173	0.9
185.11696	3.1
191.05496	1.1
215.12872	2.6
309.24231	1.3
311.22415	4.7
327.21848	2.9
327.25424	12.1
328.25693	2.1
329.23322	89.0
330.23639	10.6
331.61639	0.9
371.24380	2.7
389.25427	100.0
390.25797	10.3
391.49786	1.0
431.26514	2.5
551.30853	25.6
552.31775	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39488	0.7
59.01252	3.9
61.98699	1.6
64.88018	0.7
71.20359	0.9
71.20763	0.8
78.95778	30.9
98.20414	1.1
117.48518	0.7
122.51232	0.7
122.98431	0.9
126.64851	0.7
152.99525	4.3
168.04266	5.3
224.06879	10.6
226.23085	0.8
242.07954	3.2
253.21701	6.4
275.20285	0.8
277.21722	100.0
278.22058	10.8
379.87177	0.7
438.01959	0.8
478.29324	2.1
485.52655	0.8
502.29413	79.9
503.29752	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	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
60.99182	20.4
61.08144	2.2
61.98708	13.6
65.00216	2.6
71.01257	6.5
71.03338	5.9
85.02824	3.5
88.98683	85.5
89.02351	4.9
93.03333	2.5
96.95900	9.3
98.30472	2.2
101.02305	6.6
105.57841	2.3
109.02854	5.7
111.04387	3.2
125.26353	2.5
135.04416	3.9
151.00266	10.8
174.38654	2.5
178.99738	4.4
191.05537	5.2
198.54808	2.7
243.02992	8.4
246.29854	2.2
255.02927	17.3
262.54776	2.4
271.02484	46.8
272.03033	3.3
300.02786	76.2
301.03461	42.5
302.04053	4.6
463.08850	100.0
464.08984	15.0
507.15274	2.6
553.13739	3.3
553.23608	3.8
553.32275	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	553.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99258	0.4
56.05146	0.5
59.01255	11.1
59.89520	0.5
61.44025	0.4
61.98695	0.4
69.29520	3.7
71.01260	1.7
73.02824	0.6
83.01266	0.8
85.02811	1.2
89.02298	0.9
93.03358	1.5
96.95913	0.7
101.02328	0.9
101.58633	0.4
108.02090	2.2
109.02859	0.7
112.72482	0.5
113.02339	1.8
116.81310	0.4
119.04913	2.0
121.02847	7.7
121.06521	0.5
122.03668	4.3
123.04425	6.5
124.01549	0.9
125.02309	0.5
129.77061	0.4
132.02068	1.6
133.02847	3.6
134.03661	2.0
135.04440	6.0
136.01570	0.8
136.05211	18.6
137.06046	3.1
145.02885	0.5
147.04471	0.8
149.02354	18.0
149.05980	1.9
150.03142	61.9
151.03937	16.7
151.07518	3.1
152.04276	0.8
160.64096	0.5
162.03194	0.8
163.03871	1.2
164.04703	6.4
165.05496	35.1
166.05814	1.7
179.50552	0.5
180.04184	2.7
181.05014	8.7
182.05351	0.6
191.05595	0.9
194.05791	0.8
195.06570	45.1
196.06920	2.8
219.06635	0.4
237.07574	0.9
241.08685	0.9
254.09352	0.5
268.07602	0.5
269.08212	1.7
283.09787	6.9
284.10400	2.2
299.09323	1.1
299.12796	0.5
300.09958	1.0
311.09244	11.2
312.09680	1.2
316.09537	1.2
325.10748	1.2
328.62302	0.5
343.11871	82.6
344.12228	9.9
367.11948	3.9
369.99411	0.5
373.12985	1.2
385.13058	1.7
391.14001	100.0
392.14346	14.2
415.13782	1.4
433.15030	1.1
501.99402	0.5
535.14532	0.5
553.19513	5.5
554.19189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12468	2.5
58.00473	3.3
59.01252	85.9
60.69277	2.6
62.24093	2.6
71.01251	49.5
71.54245	3.4
72.99187	8.0
75.00759	3.5
75.85891	2.7
78.95758	3.3
79.95601	3.6
81.03355	6.2
82.31443	3.3
85.02834	11.5
85.11475	2.6
87.00753	3.7
89.02321	55.4
93.03351	7.1
95.01286	5.6
96.95892	41.4
101.02324	29.5
108.02057	4.2
113.02324	14.4
117.03360	4.8
119.03362	18.8
119.04955	4.4
121.02834	19.9
121.04926	2.8
123.00804	4.7
123.04401	29.7
133.02791	5.0
134.03624	26.8
135.04425	13.3
136.05153	22.8
137.05978	6.1
138.03127	7.6
145.02863	28.3
146.03653	20.3
147.04443	2.5
149.02388	27.2
149.05971	37.3
150.03136	33.2
151.03838	4.7
161.02412	7.4
161.04556	6.3
161.06012	9.8
162.03149	24.1
163.03925	9.0
164.04721	9.6
165.05496	19.2
169.01425	5.4
177.05527	13.8
179.05586	12.0
191.05562	6.6
193.05168	3.9
194.05768	17.3
195.06544	28.4
239.07147	10.6
245.08192	6.9
254.09555	9.6
283.09753	5.7
311.09286	7.1
343.11844	100.0
344.12131	16.4
355.11862	43.6
356.12619	5.8
553.12830	7.1
553.19525	94.7
554.20087	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	553.2065
Annotation	Physalin V
Peak:m/z	Relative Intensity
51.77114	6.0
59.01249	21.7
61.98685	8.0
69.61599	33.9
71.01255	15.2
87.38053	8.0
89.02322	17.9
96.95882	18.0
96.96880	6.7
101.02324	10.7
111.04417	9.9
135.04350	9.3
138.01540	6.6
140.19829	6.8
150.03162	13.7
162.75443	6.7
165.05493	9.5
191.05556	17.6
195.06499	12.6
335.27823	8.3
343.11923	11.9
373.09482	16.0
391.14066	8.0
553.13495	38.3
553.20667	100.0
554.13690	12.4
554.21399	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	553.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79786	1.1
59.01254	8.8
61.98711	8.5
69.22627	11.7
71.01272	7.3
71.44282	1.2
72.99189	1.5
73.02807	1.4
74.02341	2.4
75.00769	2.8
83.04917	1.5
85.02824	2.1
87.00754	1.6
89.02342	2.1
93.03362	1.9
96.17406	1.3
96.95894	4.0
97.02807	1.5
98.20667	2.2
101.02318	2.2
108.02033	2.0
109.02858	7.5
121.02882	10.5
122.03625	12.7
123.00783	1.3
123.04399	3.5
124.01532	1.5
125.02332	3.8
128.03404	2.7
134.03622	3.0
135.04449	3.1
136.01585	6.0
136.05205	2.3
137.02353	7.6
137.06000	5.8
143.04521	5.1
145.02855	3.2
147.04414	3.3
149.02350	2.5
149.05920	1.9
150.03104	2.5
151.03880	3.8
151.84085	1.3
154.02592	2.6
155.20847	1.1
161.02361	2.4
162.03122	6.7
163.03844	2.6
164.04669	1.9
165.05522	1.9
174.03116	3.0
175.03929	4.6
176.04715	39.8
179.03375	3.0
179.07024	8.6
191.05501	2.8
191.07057	31.2
191.34549	1.3
194.05769	2.1
209.05963	1.4
209.11732	4.6
222.09483	1.6
225.05592	6.5
240.10587	1.3
241.05049	9.6
252.04234	2.3
252.07600	1.6
253.05074	8.6
254.05516	2.2
256.07379	8.0
265.05075	1.6
266.05710	1.4
267.06488	5.7
268.07471	10.3
269.07932	3.3
271.09763	16.5
279.06461	2.0
280.07361	4.4
281.08124	5.6
283.09714	16.6
295.09778	16.2
296.10208	2.3
309.11276	5.2
311.09354	1.8
314.07916	2.0
322.08334	1.3
323.09222	3.1
324.09756	2.5
331.24228	1.8
341.10544	1.9
350.47888	1.3
353.39041	1.2
361.22391	1.4
390.25586	1.4
391.26385	1.4
417.15103	1.4
445.12964	7.7
448.15527	1.5
460.15289	12.1
461.15549	2.3
463.17621	44.7
464.17810	6.7
475.17627	100.0
476.17966	20.7
493.18698	12.7
494.19040	2.4
505.18713	17.4
523.19775	13.8
524.20178	2.9
535.19592	7.8
536.20068	2.8
537.21289	1.9
537.71393	1.7
553.19446	1.7
553.26331	2.7
553.33093	2.8
584.87433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2294
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
55.01743	2.6
57.03313	1.5
58.00471	1.5
59.01253	35.5
60.99178	1.2
61.98705	1.2
69.78548	3.0
70.41568	0.8
71.01257	24.1
72.99180	3.4
73.02814	5.0
75.00739	1.7
79.95567	0.8
83.01267	4.0
85.02830	9.3
85.99993	1.4
87.00771	2.7
88.98686	4.8
89.02327	13.5
93.03345	1.3
95.01263	2.4
96.95884	3.5
98.20521	1.9
99.00736	2.8
101.02327	16.3
108.02065	1.2
109.02849	6.5
111.00758	1.6
111.04426	1.1
113.02332	7.5
119.03399	5.1
121.02882	5.0
122.03651	1.9
123.04424	1.6
124.01524	1.3
125.02330	4.2
129.03329	1.0
129.05508	0.9
132.69522	0.8
134.03615	0.8
135.04408	2.7
137.02347	12.3
138.03183	4.1
139.03896	2.9
146.01012	0.8
147.04434	4.3
149.06076	1.1
150.03180	1.1
151.00285	1.3
151.03908	3.4
152.04700	2.3
159.02943	0.8
159.04341	0.9
161.04431	1.0
161.05957	2.5
162.03125	1.7
163.03908	2.6
164.04655	1.7
165.05481	6.5
166.06120	0.9
167.03326	0.9
170.01982	1.0
175.03925	1.5
176.04652	1.1
177.05489	3.2
179.03323	1.2
179.07047	3.0
180.04175	1.4
181.05023	7.5
185.11758	6.3
188.04768	0.9
189.05528	2.4
190.06163	0.8
191.05513	2.3
191.07132	1.4
194.05824	1.6
195.06557	9.6
207.06557	2.6
209.08122	2.5
232.40605	0.9
271.02396	2.1
300.02783	4.0
301.03522	2.3
301.10822	4.0
313.11017	1.8
314.11194	0.8
323.09079	1.0
328.13065	1.4
331.11835	3.8
343.11847	2.0
345.13260	2.2
358.14331	3.3
361.12863	6.7
362.13327	2.2
373.16336	4.1
373.26178	1.3
376.15222	12.5
377.15955	1.9
391.17639	71.1
392.17996	8.2
433.24512	1.3
437.18027	1.0
463.08884	4.5
538.20135	1.0
553.22943	100.0
553.31702	7.5
554.14569	0.7
554.23236	19.1
554.31854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.0
61.98691	0.8
78.95784	6.1
80.96399	0.7
152.99536	1.3
167.01677	1.2
168.04222	1.4
182.76430	0.5
191.05595	1.7
192.02533	2.3
192.99586	1.1
201.43436	0.5
209.11794	1.2
211.00674	0.7
224.06932	1.0
242.07970	2.2
266.75552	0.5
277.21872	0.6
279.23291	100.0
280.23627	10.2
303.26791	0.5
476.95990	0.6
504.30984	31.6
505.31305	5.0
554.27240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48866	0.4
59.01248	0.6
61.98696	1.0
62.64605	0.4
63.13421	0.3
71.01237	0.4
73.03556	0.4
78.95778	21.2
80.96391	1.1
92.33562	0.4
98.20668	0.8
123.74078	0.4
152.99515	3.4
154.36873	0.4
168.04268	4.0
191.05605	0.7
224.04869	0.7
224.06900	9.7
229.48807	0.4
242.07936	1.8
279.23288	100.0
280.23624	10.7
504.30972	64.9
505.31311	10.2
554.27094	2.0
555.27454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03405	0.2
56.84816	0.2
59.01252	21.0
59.38138	0.2
60.01581	0.3
63.67466	0.2
65.02311	0.2
76.56104	0.2
78.95776	18.5
96.96835	0.4
98.19765	0.4
113.65358	0.2
121.08609	0.2
122.98387	0.5
139.25804	0.2
147.86887	0.2
152.99490	3.0
153.33183	0.2
168.04221	3.2
194.05824	0.2
224.06892	7.7
225.07188	0.3
237.22198	0.2
242.07962	2.1
255.23265	100.0
256.23608	9.1
256.26340	0.4
410.92343	0.2
480.30936	59.2
481.31281	9.4
554.27216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94021	1.6
70.85148	4.5
93.03329	4.3
121.02843	15.8
122.03647	13.3
147.55855	2.2
149.02351	79.1
150.03145	99.6
151.03534	3.0
163.03949	4.2
164.04710	22.0
165.05490	100.0
166.05875	5.2
177.05519	2.2
180.04199	8.6
190.01141	2.0
195.06570	42.2
196.06818	2.3
199.05032	1.9
269.08194	5.7
269.12015	2.7
296.10739	2.9
297.11365	13.3
298.11722	4.1
299.09253	6.1
300.09955	3.9
303.41241	1.8
311.09204	6.5
311.12839	5.0
314.11554	9.9
315.12137	5.2
326.11594	3.7
329.13821	14.3
330.14224	3.1
341.14044	7.2
431.15039	8.0
433.16699	8.1
434.16772	2.7
461.15991	3.6
462.16528	6.0
463.17462	3.2
477.19055	23.8
478.19678	4.5
489.19128	2.6
492.18011	2.8
507.20251	99.9
508.20490	18.9
555.22510	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	555.2849
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.75682	0.5
51.43225	0.3
59.01237	0.6
61.98697	0.4
63.96115	1.1
64.98450	0.4
69.03324	0.6
69.51997	1.4
69.52415	0.9
71.01261	6.1
73.02836	2.0
74.28931	0.3
78.98467	5.3
79.95612	8.8
80.96401	60.6
81.03320	0.7
83.01251	0.5
85.02837	2.6
87.00763	1.9
90.59277	0.4
94.97972	14.5
96.95924	0.9
97.02842	1.4
98.01990	0.4
101.02335	2.7
106.97961	3.1
113.23586	0.4
122.97500	4.5
125.02367	2.5
127.03837	0.6
128.48346	0.3
134.97504	4.6
136.99081	1.2
145.54749	0.4
146.19926	0.3
148.99078	5.6
152.98566	6.2
153.55270	0.4
164.98578	10.5
182.99654	1.9
184.87230	0.4
206.99615	2.4
225.00726	16.1
226.01129	0.4
243.01802	1.7
255.23376	3.4
299.04468	3.1
305.36017	0.4
384.89337	0.4
509.79565	0.4
555.28479	100.0
556.28821	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	555.285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06208	0.9
69.56985	6.2
71.01257	9.0
73.02818	2.2
78.98479	6.3
79.95614	10.5
80.96398	71.3
85.02834	4.0
87.00745	3.0
91.34294	0.9
94.97967	16.5
96.95922	1.6
97.02828	1.4
101.02340	2.2
106.06656	0.9
106.97991	2.7
122.97462	3.7
125.02324	2.9
134.97476	3.0
138.97050	1.0
147.26112	1.0
147.65018	1.0
148.08290	1.0
148.99089	6.6
152.98550	6.0
156.66924	0.9
164.98549	13.9
179.25449	0.9
206.44804	1.0
206.99658	2.7
225.00694	18.1
255.23232	2.3
299.04449	3.3
393.97803	1.1
427.30231	1.2
555.28479	100.0
556.28735	16.5
559.27710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40574	1.2
59.01258	14.6
61.98692	2.9
71.62380	1.3
72.99195	1.5
75.00753	100.0
85.02265	1.4
110.26631	1.2
125.43948	1.2
128.03406	1.5
136.96729	1.4
137.60542	1.3
143.04526	1.5
147.30354	1.3
272.08707	1.5
379.52872	1.4
404.25323	1.4
504.29416	1.6
555.27594	1.7
569.86505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01591	1.2
61.80770	0.5
61.98697	0.7
65.10265	0.6
68.93653	0.5
83.04893	0.6
105.26134	0.6
126.78231	0.5
133.73689	0.6
134.10974	0.6
139.07571	0.6
143.98055	0.6
191.05418	0.7
329.21402	1.5
353.21359	1.6
415.26578	0.7
423.29187	0.8
433.27484	10.0
434.28098	1.8
451.28592	9.1
452.29074	1.4
477.26703	3.1
495.27878	1.7
583.23041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74189	0.3
59.01259	100.0
60.01596	1.0
61.98711	3.2
64.22165	0.3
66.50484	0.3
69.03345	1.0
69.82259	1.6
75.13603	0.3
78.29897	0.3
79.33265	0.4
80.78777	0.4
81.33878	0.3
86.84464	0.3
91.73734	0.4
97.02829	4.4
145.90251	0.4
218.45451	0.5
221.47452	0.4
252.68468	0.4
353.24921	0.8
451.28568	2.1
495.27786	1.3
555.30396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69172	0.2
59.01252	100.0
60.01590	1.3
61.98707	2.3
64.32091	0.2
64.54520	0.3
68.12315	0.3
69.78266	1.5
71.01272	0.3
92.38433	0.3
100.34985	0.3
107.44490	0.3
124.15039	0.3
174.90616	0.3
185.71028	0.3
237.82526	0.3
258.09772	0.3
409.23712	0.6
465.93930	0.3
495.27780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56052	0.8
57.62608	0.7
59.01253	100.0
60.01592	1.3
61.69510	0.7
61.98707	2.7
74.34447	0.7
86.62536	0.8
87.00800	1.0
121.02842	3.5
313.07446	0.8
327.37036	0.8
433.27496	7.7
451.28500	4.9
452.29031	1.4
477.26898	3.3
495.27689	7.0
496.27802	1.1
556.26007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.8
57.03320	0.7
59.01252	100.0
60.01589	1.3
61.98701	1.7
69.49145	2.6
71.01250	7.2
72.99171	0.8
73.02827	3.4
73.33780	0.4
75.00756	0.6
83.01278	1.2
85.02824	3.6
87.00769	1.4
89.02323	3.6
95.01279	0.6
96.95914	0.8
97.02837	0.4
99.00777	1.2
101.02320	7.0
101.02917	0.5
113.02320	3.4
119.03390	0.7
125.02341	0.4
143.03493	0.7
147.04388	0.5
159.02908	1.2
161.04463	5.9
163.17207	0.4
179.05611	0.6
333.24390	0.6
355.24988	1.8
459.09418	0.4
495.29626	14.9
496.30014	2.7
511.29529	0.5
526.93457	0.4
555.29193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93417	9.5
59.01254	66.1
61.98697	48.4
62.82898	9.8
69.65034	51.3
71.01242	36.5
73.02808	15.7
85.02824	13.4
89.02332	70.6
95.04911	8.9
95.18316	10.3
95.18912	9.3
96.95892	17.3
101.02327	27.3
108.29454	11.0
109.02875	12.6
113.02338	29.5
119.03381	31.3
135.04427	27.6
151.03880	10.6
155.67546	9.5
168.84897	12.1
179.05489	13.9
191.05547	100.0
193.59811	12.0
207.22682	11.7
283.09644	21.3
311.09311	54.2
326.11539	40.6
341.13934	65.5
343.83096	10.7
370.10391	10.7
448.43857	11.0
503.77225	11.3
557.17957	19.0
557.29565	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	557.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49456	0.7
57.03307	0.8
58.85974	0.7
59.01255	2.4
60.26365	0.6
60.99308	0.7
61.98696	2.7
69.50687	2.5
69.51103	1.7
71.01272	1.2
73.02839	1.1
87.00770	1.0
87.04372	0.7
93.03325	5.6
95.04935	0.7
96.95908	1.8
99.04378	0.8
108.02055	3.5
109.02835	6.4
117.91454	0.8
119.04906	1.4
121.02847	27.2
122.03642	18.3
123.04442	6.0
124.01593	1.1
125.02314	2.3
129.03394	1.4
132.02048	4.0
133.02859	18.0
134.03658	11.7
135.04460	3.4
136.01549	1.2
136.05234	1.1
137.02309	3.7
139.03845	1.0
139.07428	0.7
145.02861	9.9
146.03674	4.2
147.04420	15.9
148.05075	1.2
149.02353	35.9
149.05983	15.6
150.03137	82.5
151.03590	5.2
154.02658	1.8
160.05162	1.1
161.02361	2.2
161.05989	6.3
162.03123	3.2
162.06680	1.0
163.03911	1.7
164.04704	11.3
165.05489	94.2
166.05818	5.4
173.05882	0.8
175.07495	0.7
177.05469	2.8
179.07072	10.9
180.04242	3.8
180.07559	1.2
195.06575	22.5
196.06871	1.9
209.08156	0.8
223.09697	1.2
230.24773	0.7
245.25027	0.7
248.91440	0.7
270.08939	1.5
283.09729	1.5
285.11319	1.1
297.11270	1.5
298.12073	0.8
299.12943	1.3
310.72919	0.7
313.10913	1.3
315.12329	2.5
316.12970	0.8
317.13824	0.7
329.14102	3.5
346.14157	7.3
347.14960	13.4
348.15225	1.4
359.14816	1.2
360.15741	1.4
361.16583	58.9
362.16791	7.3
375.18015	1.1
403.73245	0.8
415.17624	8.1
416.17896	0.9
451.17661	1.5
461.19739	0.8
463.17618	1.2
509.21817	100.0
510.22110	20.8
521.21661	7.8
521.28186	0.8
522.22583	1.2
539.22614	5.8
540.23615	1.3
557.22528	5.3
557.30554	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15765	0.5
58.66825	0.5
59.01240	2.2
61.98706	1.7
62.64735	0.6
66.63058	0.5
71.43854	0.8
72.97475	0.5
72.99195	1.9
73.02823	1.7
75.00748	100.0
76.01093	1.2
113.96979	0.6
125.44998	0.5
157.52101	0.5
158.33035	0.6
181.38513	0.5
189.65202	0.5
209.11731	0.8
211.13474	0.6
332.74683	0.6
338.64719	0.6
456.64099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22578	0.4
56.42365	0.4
59.01252	100.0
60.01587	1.3
61.98697	2.4
71.09052	0.7
92.42316	0.5
125.09683	0.5
172.68750	0.4
435.07831	0.4
439.02130	0.4
577.59229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01590	2.1
61.98705	16.0
66.61542	0.8
69.78304	2.5
96.95903	1.0
110.35458	0.8
172.34840	0.6
177.73242	0.6
194.04839	0.7
237.13539	0.7
395.26190	1.0
420.17239	0.8
460.23221	0.7
497.29175	3.7
515.30975	0.8
540.38464	0.8
557.31458	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	557.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77501	0.6
57.03350	0.6
58.00468	0.8
58.98700	0.5
59.01257	100.0
60.01593	1.5
60.99180	1.4
61.98711	1.2
65.49915	0.6
73.02835	0.7
98.20667	1.3
103.22742	0.6
127.20837	0.6
146.71463	0.6
194.94099	0.6
199.22972	0.8
343.24918	0.7
375.27060	0.9
395.26093	0.9
401.23792	0.8
407.26190	1.0
417.28159	5.6
418.28207	1.3
433.27557	6.8
434.28030	1.1
435.29108	8.9
436.29642	1.9
453.30392	2.0
467.27838	1.1
477.26303	3.8
478.26727	1.3
479.28061	31.0
480.28265	5.6
497.29120	64.6
498.29489	13.3
557.30981	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	557.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94540	0.9
59.01258	100.0
61.98709	4.1
109.10300	0.9
162.71902	0.8
167.56920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3126
Annotation	23,24-dihydrocucurbitacin E
Peak:m/z	Relative Intensity
50.11093	0.1
59.01257	100.0
60.01586	1.2
61.98712	0.6
71.53661	0.2
75.35339	0.1
76.01656	0.1
111.04414	0.7
116.34750	0.1
175.90004	0.1
206.18115	0.1
209.11855	0.2
282.55356	0.2
333.34070	0.2
437.27411	0.2
453.30060	0.2
497.29129	5.3
497.36188	0.3
498.29602	1.2
513.73639	0.1
515.30139	2.0
516.30811	0.4
557.31091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.4
60.21692	0.1
61.98704	100.0
62.98398	0.2
66.52694	0.1
71.54337	0.1
71.54693	0.1
72.50087	0.1
78.95794	0.7
79.23849	0.1
99.05847	0.1
111.51225	0.1
145.33177	0.1
152.99512	0.4
182.73885	0.1
189.53839	0.1
191.05595	0.2
224.06963	0.1
255.23248	1.9
256.23602	1.0
257.23792	0.5
258.24133	0.3
409.23288	0.1
480.30927	0.9
481.31528	0.4
482.31552	0.2
483.31961	0.9
532.57269	0.1
557.32617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54913	0.7
59.01254	8.5
61.98706	100.0
69.48852	0.7
71.54356	0.7
72.82304	0.6
78.95827	0.8
152.99490	0.7
153.55664	0.6
200.02878	0.7
244.03401	0.7
261.62619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01252	8.9
61.98708	1.1
69.03325	0.3
70.88244	0.5
71.01258	1.3
73.02839	0.4
77.72069	0.2
78.92381	0.2
83.01266	0.3
83.04877	0.3
84.49638	0.2
85.02862	0.3
87.00764	0.9
87.04409	0.2
89.02300	1.7
93.03318	0.4
94.47652	0.2
96.95880	2.8
97.06489	0.2
101.02328	0.9
101.05975	0.3
111.00713	0.2
113.02338	0.4
119.03439	0.2
121.02849	100.0
122.03174	3.5
125.02346	1.4
131.03418	1.1
134.84521	0.2
142.17445	0.2
149.02347	0.3
149.04488	0.8
150.03137	0.4
151.00285	0.4
151.03416	0.2
161.04475	0.2
165.05540	0.4
167.88228	0.2
191.05548	1.0
195.06552	0.3
209.11787	0.2
241.22479	0.2
293.08807	0.5
377.14301	0.4
395.07553	0.3
397.18512	0.5
413.08246	0.3
462.07672	0.2
471.29242	0.5
515.32428	1.3
559.14929	0.6
559.23596	0.2
559.31293	1.8
560.16901	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	559.3277
Annotation	Cucurbitacin Q
Peak:m/z	Relative Intensity
59.01253	100.0
60.01587	0.9
61.98708	0.4
71.01259	0.3
78.95785	0.6
89.99748	0.2
98.19803	0.7
111.70805	0.2
122.09318	0.1
152.99551	0.3
198.76022	0.2
211.13309	0.8
347.12708	0.3
349.25333	0.2
351.27032	0.2
365.13693	0.2
393.24335	0.2
395.26117	0.4
409.27594	0.7
419.29800	0.2
421.27432	0.3
435.29132	1.2
437.30634	2.5
438.31207	0.3
456.32053	0.2
479.28024	1.0
481.29611	10.5
482.29965	1.9
499.30679	17.3
500.31055	2.8
559.33118	1.3
560.33215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00943	0.3
59.01254	100.0
60.01587	0.9
61.98708	0.9
72.99186	0.4
85.03544	0.3
143.10718	0.5
168.17928	0.3
197.11786	0.5
336.68829	0.3
435.99088	0.3
455.31891	0.3
499.30746	2.8
500.31271	0.3
534.80457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3278
Annotation	23,24-Dihydrocucurbitacin B
Peak:m/z	Relative Intensity
57.03282	2.5
59.01255	26.3
60.01549	0.7
61.01646	0.7
61.98706	16.7
62.80768	0.5
72.99183	11.0
81.78857	0.5
83.04857	0.9
99.04329	0.7
133.06409	0.8
158.53658	0.6
211.13223	0.7
212.84138	0.5
318.82346	0.7
334.72507	0.6
347.12372	0.8
373.28696	0.7
379.26389	3.0
391.30179	1.3
392.09488	0.6
395.25800	3.5
396.26205	0.7
397.27823	0.6
421.26746	0.6
435.29053	5.1
436.29645	1.0
437.30573	3.3
441.26447	1.7
453.29785	1.0
459.27560	1.1
481.29620	38.7
482.30026	7.7
499.30676	100.0
500.31033	17.6
517.31708	74.4
518.24359	0.8
518.31982	12.1
559.32788	29.6
560.33099	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	559.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00282	2.0
68.08350	2.1
70.60203	1.9
93.58308	2.4
97.06470	100.0
98.20193	16.1
135.04425	6.9
136.05186	4.4
137.05986	4.9
163.03873	9.2
164.04698	69.1
165.05309	9.7
196.03711	20.4
204.07785	2.1
461.32782	50.3
462.33444	72.9
463.34009	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	560.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47963	0.6
59.01252	2.4
61.98703	100.0
65.26110	0.5
71.53586	0.7
98.20101	0.7
130.05975	0.5
180.74356	0.6
189.97672	0.6
277.21954	0.5
278.22113	0.8
429.25247	0.7
458.30902	0.6
497.28949	5.3
529.04163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92924	1.7
59.01252	44.4
60.01574	6.8
61.01670	5.2
61.98705	100.0
96.95888	4.8
98.96783	1.9
104.40183	1.7
107.97104	1.7
191.05588	3.5
191.49350	1.6
219.52902	1.9
500.30762	9.8
518.32074	8.0
552.95203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
61.98704	100.0
87.00771	0.4
98.19762	0.5
140.65221	0.3
162.47539	0.2
268.47061	0.3
411.55643	0.3
482.29388	0.6
500.30276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43479	0.2
54.33463	0.2
59.01253	2.8
60.01582	0.5
61.01676	0.4
61.98704	100.0
65.59943	0.2
69.67201	1.1
78.95798	0.6
156.97453	0.2
183.51654	0.2
186.37434	0.2
199.13364	1.4
218.44504	0.2
243.05748	0.2
263.20291	0.6
279.19800	0.4
347.25833	0.3
365.26953	5.1
365.71103	0.2
366.27484	0.8
484.30807	0.3
502.31943	0.6
562.31238	1.1
563.32227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.7
60.43919	1.7
71.01250	7.8
71.53242	1.7
72.99178	5.0
73.02816	1.7
75.26095	1.7
81.03321	2.2
83.04874	2.5
85.02829	4.2
87.00757	5.6
89.02320	15.2
93.03346	5.6
99.00780	2.4
99.04433	2.3
101.02328	3.1
108.01990	2.1
109.02830	2.1
111.04404	4.1
113.02333	2.8
117.01820	5.3
123.04404	11.5
127.03881	4.2
129.01785	1.8
131.03409	4.3
133.01350	5.0
137.02327	2.0
161.04541	2.8
173.04472	5.9
179.05592	2.0
191.05565	12.8
203.05510	3.3
221.06621	100.0
222.06897	3.8
246.95323	1.9
327.94501	1.9
421.76575	2.2
503.16183	7.8
525.11230	2.1
591.19861	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.6
57.03333	2.1
58.00476	1.9
59.01258	77.9
61.98711	2.8
62.77505	1.1
65.38324	1.1
69.03334	1.2
69.55628	2.4
69.56043	4.8
71.01260	26.1
72.99181	4.5
73.02831	10.8
83.01245	5.3
85.02829	11.1
85.99977	2.9
87.00742	5.1
89.02334	5.5
93.03375	1.3
93.17976	1.1
96.33504	1.0
97.02864	1.3
97.15640	0.9
99.00777	3.5
99.47959	0.9
101.02323	17.2
109.02858	1.6
111.00761	1.8
112.01577	1.4
113.02357	6.9
118.68633	1.1
119.03378	1.4
121.02856	6.3
125.02386	1.8
127.50421	1.0
135.04483	1.3
141.01878	1.1
143.03419	1.6
145.02876	2.1
159.04424	3.4
224.04773	1.1
225.05589	1.1
227.07137	1.6
239.06979	1.6
240.04176	1.2
252.07753	1.7
254.05940	1.6
255.06612	2.4
264.08017	1.3
264.11591	1.1
265.08765	2.7
266.05795	2.3
267.06628	4.9
268.07266	6.0
269.05533	1.7
269.08148	10.3
270.08896	3.2
279.06662	1.2
280.07425	2.4
281.08191	19.9
282.08920	7.5
283.09735	10.1
284.10165	1.7
293.08337	6.7
294.08960	2.0
295.09848	6.0
296.10571	3.3
297.11353	1.6
299.09384	6.4
302.07834	1.2
309.11478	2.1
311.09268	8.1
312.09824	3.3
314.07971	4.0
314.11658	9.3
315.12180	7.1
325.11087	1.3
326.11600	18.2
327.12381	14.7
328.12860	1.4
329.13898	18.4
329.17639	1.5
330.14392	1.6
340.09598	1.8
341.13977	17.1
342.14243	3.2
343.11722	4.5
355.11920	7.9
356.12506	2.1
357.13525	1.2
369.13443	4.1
371.15460	1.4
383.14923	1.7
385.15155	2.5
411.14749	1.6
427.16016	3.4
443.12958	2.5
445.15277	1.9
455.13406	5.4
458.15790	8.5
458.61392	1.3
459.16385	1.6
461.14081	1.4
470.15918	6.8
471.16473	1.3
473.18411	56.0
474.18903	8.5
476.16837	12.4
477.17410	1.7
485.18222	75.3
486.18448	13.8
488.16965	9.3
491.19296	59.9
492.19586	8.9
503.19278	100.0
504.19681	14.7
515.15521	1.4
530.17517	1.7
533.20355	78.9
534.20709	12.4
545.20349	48.6
546.20801	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	563.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51295	1.4
57.03325	2.5
59.01255	100.0
61.98709	24.5
69.03320	3.3
71.01259	49.1
71.53951	1.7
71.54351	2.1
72.99191	4.4
73.02824	11.5
74.02342	2.0
75.00736	2.7
83.01272	5.6
85.02831	24.7
87.00740	3.2
88.98691	2.1
89.02323	35.6
93.03352	2.8
95.01262	3.4
96.02229	1.8
96.95908	10.2
97.02871	1.7
99.00745	4.9
101.02326	44.0
103.03847	1.6
113.02338	23.5
119.03395	11.2
125.02343	3.5
131.03404	40.9
137.41765	1.5
143.03391	5.3
143.04520	3.2
149.04448	3.5
159.02989	2.0
161.04483	16.3
189.05443	1.9
191.05638	7.7
207.79718	1.6
209.11794	2.7
211.13428	2.1
281.04144	1.6
306.07617	3.8
330.97971	1.7
338.86469	2.2
371.20752	99.2
372.20990	9.0
415.19760	2.9
469.11606	1.9
503.17136	2.9
503.25027	47.0
503.32486	1.7
504.25220	8.9
563.20319	1.8
563.29236	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	565.0476
Annotation	Udpgal
Peak:m/z	Relative Intensity
56.93550	0.8
69.74921	1.1
69.75336	3.1
72.23125	0.6
78.95775	100.0
89.23502	0.7
96.17251	0.6
96.96838	35.1
111.01886	9.4
120.96851	1.9
122.35571	0.8
128.18806	0.9
138.20967	0.9
138.97928	2.9
150.97908	3.9
158.92447	13.8
172.80588	0.7
176.93498	1.3
187.47937	0.7
192.99016	1.0
211.00064	5.2
218.09793	0.7
241.01144	9.0
272.95752	4.6
280.02393	1.6
305.01834	1.0
320.97781	2.2
323.02829	44.6
324.03152	2.6
384.98477	3.4
402.99612	1.0
476.80109	0.8
565.04730	12.1
566.05353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.1
61.98709	5.6
71.01252	3.1
71.54353	2.2
73.02837	2.0
78.00134	2.1
83.01244	2.9
93.03343	2.5
96.95882	4.3
97.24636	2.0
99.00799	2.1
101.06105	1.9
109.02853	4.8
115.99371	2.1
122.53813	2.4
124.01601	3.7
135.04445	4.5
137.02376	3.1
147.56323	1.9
151.00296	5.5
163.00301	2.0
173.04521	2.7
175.02332	2.2
178.99861	5.5
191.05530	8.2
214.02637	6.7
227.10588	3.5
239.11967	2.3
242.02132	6.1
243.03137	3.4
247.08199	2.0
259.02530	6.7
270.01755	7.4
271.02490	41.4
272.02841	3.4
277.12012	2.0
283.10974	9.8
287.01990	21.7
288.02441	3.1
309.08853	3.0
316.02246	100.0
317.02856	17.7
327.09778	5.3
341.11182	3.7
394.70807	2.2
403.11359	27.0
404.11441	2.7
521.09399	71.1
521.33350	2.9
522.09595	7.9
591.21863	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54608	0.2
59.01255	1.8
63.02260	0.3
65.00188	0.7
65.95898	0.2
68.25568	0.2
70.92510	0.2
70.92852	0.3
71.01258	0.9
73.02811	0.3
74.57660	0.1
83.01273	0.8
85.02856	0.3
87.00742	0.2
93.03348	0.2
99.00751	0.3
101.02339	0.5
107.01257	1.6
108.02045	1.7
109.02857	0.4
113.02356	0.5
121.02845	0.6
124.01539	0.2
125.02290	0.2
131.03392	0.7
135.00781	0.7
135.04456	0.3
146.26855	0.2
148.01540	1.5
148.02461	0.2
148.34608	0.2
151.00272	4.5
152.01067	0.2
159.04396	0.2
161.04485	0.2
163.00323	1.1
164.01038	0.5
169.01363	0.3
171.04401	0.3
174.03185	0.2
175.03955	0.2
177.01794	0.2
178.99783	3.1
180.00194	0.3
187.03883	0.3
190.99846	0.3
191.05540	0.5
192.00568	0.3
198.03120	0.2
199.03949	0.7
201.01970	0.2
209.00732	0.2
211.03914	0.6
215.03426	0.5
216.04245	0.5
221.34488	0.2
226.02707	1.6
227.03447	2.8
228.03854	0.3
228.48482	0.2
243.02974	11.4
244.03400	1.2
254.02184	2.2
255.02975	27.1
256.03326	2.1
271.02478	60.6
272.02902	6.7
283.02594	0.2
299.01996	2.0
300.02747	100.0
301.03247	13.6
302.03848	0.5
373.22226	1.7
415.06653	0.4
433.07819	0.4
505.26431	0.3
546.38672	0.2
565.11957	58.8
566.12317	11.2
566.21356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.6
61.98717	0.8
64.49876	0.4
69.42416	2.9
71.01253	2.8
72.99194	0.7
73.02843	1.1
76.06505	0.4
83.01301	0.4
83.02302	0.3
83.85723	0.4
85.02799	0.9
89.02312	2.9
90.89263	0.4
93.03358	0.5
96.95915	1.2
99.00800	0.9
101.02356	1.5
107.01304	1.7
108.02058	1.0
113.02352	1.0
125.02334	0.5
135.04391	0.8
137.02423	0.6
143.04939	0.6
148.01620	1.3
149.04449	0.7
151.00285	3.8
152.71181	0.4
161.02455	0.7
163.00348	0.8
164.01054	0.7
165.01613	0.4
169.01373	0.4
178.99786	5.6
179.03291	0.8
185.06015	1.0
191.05597	1.6
199.03912	0.7
211.03896	0.5
215.03514	0.7
216.04279	0.7
226.02628	1.5
227.03503	2.3
227.07066	6.3
228.07426	0.8
243.02971	9.8
244.03268	1.0
254.02200	2.4
255.02963	24.4
256.03296	1.9
271.02472	55.9
272.02896	5.6
299.01981	1.9
300.02737	100.0
301.03214	11.8
316.02011	0.5
373.12839	0.6
373.22232	0.6
385.12704	0.5
415.06573	0.5
505.26620	5.3
521.09222	0.8
565.11859	65.3
566.12213	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	565.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45631	1.0
59.01258	7.8
61.23071	1.0
61.98696	11.0
69.23584	4.3
69.24009	5.3
69.59971	1.0
71.01244	3.7
72.03755	1.2
83.01233	1.2
85.02824	1.3
87.00752	1.3
87.90061	1.1
96.95895	3.2
96.96843	1.3
98.20624	1.6
101.02336	2.6
109.02849	1.3
111.00764	1.3
113.02312	1.7
113.13271	1.1
119.03334	1.4
123.00796	1.3
125.02309	1.0
137.02341	2.4
151.00275	17.3
152.01083	9.4
161.04469	1.4
164.04752	1.6
166.02641	56.4
167.03409	12.1
179.07120	1.7
181.04979	68.0
182.05354	3.8
190.06271	7.9
191.05521	1.3
191.07054	7.3
192.07375	1.3
193.08728	1.3
205.08672	4.3
206.09439	3.0
211.54810	1.1
250.88914	1.1
265.44019	1.0
271.02585	1.2
300.02640	2.2
355.11819	4.4
359.14700	1.4
370.14151	3.1
373.12717	3.1
385.16507	2.7
388.15225	3.9
403.17630	100.0
404.17972	13.5
546.87128	1.4
565.29523	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	565.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.8
57.03324	2.3
59.01251	31.3
59.01538	2.2
61.98703	5.5
67.69228	1.2
68.39903	1.2
70.56272	3.0
71.01256	30.3
71.01614	2.1
72.99165	1.7
73.02820	12.5
83.01263	4.3
85.02815	14.9
87.00773	4.4
89.02312	8.4
93.03367	1.8
95.01275	1.6
96.95884	5.3
99.00774	4.5
101.02326	25.4
108.02065	1.7
109.02840	2.8
113.02332	13.7
119.03371	1.6
121.02853	3.2
122.03664	2.4
125.02361	3.1
131.03392	16.6
135.04448	3.2
137.02350	1.5
143.03467	1.2
147.04411	1.5
149.04535	1.5
151.00291	4.5
159.02899	3.1
161.04465	11.7
163.00240	1.9
165.05481	4.0
174.40309	1.2
178.99748	3.6
179.07088	2.1
185.05951	1.4
190.05034	1.8
191.05551	4.9
218.82686	1.2
227.03516	2.4
227.07025	12.5
241.09904	1.5
243.02975	9.2
244.03537	1.8
253.06067	2.1
254.02100	2.1
255.02954	23.6
256.03317	2.3
271.02490	52.8
272.02899	5.7
281.09286	2.2
283.10855	7.6
293.08752	1.5
299.01907	2.2
300.02744	100.0
301.03223	16.2
302.03891	1.7
309.08777	4.4
316.02142	3.8
317.02911	2.0
327.09894	4.5
353.07922	5.0
361.16632	20.9
362.16965	2.3
371.08771	3.9
373.22269	44.4
374.22723	6.0
403.11053	5.7
426.20648	1.4
484.87976	1.3
505.26563	51.9
506.26849	6.2
521.09052	3.8
533.14471	2.3
565.11047	60.0
566.11206	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	565.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.8
57.03324	2.3
59.01251	31.3
59.01538	2.2
61.98703	5.5
67.69228	1.2
68.39903	1.2
70.56272	3.0
71.01256	30.3
71.01614	2.1
72.99165	1.7
73.02820	12.5
83.01263	4.3
85.02815	14.9
87.00773	4.4
89.02312	8.4
93.03367	1.8
95.01275	1.6
96.95884	5.3
99.00774	4.5
101.02326	25.4
108.02065	1.7
109.02840	2.8
113.02332	13.7
119.03371	1.6
121.02853	3.2
122.03664	2.4
125.02361	3.1
131.03392	16.6
135.04448	3.2
137.02350	1.5
143.03467	1.2
147.04411	1.5
149.04535	1.5
151.00291	4.5
159.02899	3.1
161.04465	11.7
163.00240	1.9
165.05481	4.0
174.40309	1.2
178.99748	3.6
179.07088	2.1
185.05951	1.4
190.05034	1.8
191.05551	4.9
218.82686	1.2
227.03516	2.4
227.07025	12.5
241.09904	1.5
243.02975	9.2
244.03537	1.8
253.06067	2.1
254.02100	2.1
255.02954	23.6
256.03317	2.3
271.02490	52.8
272.02899	5.7
281.09286	2.2
283.10855	7.6
293.08752	1.5
299.01907	2.2
300.02744	100.0
301.03223	16.2
302.03891	1.7
309.08777	4.4
316.02142	3.8
317.02911	2.0
327.09894	4.5
353.07922	5.0
361.16632	20.9
362.16965	2.3
371.08771	3.9
373.22269	44.4
374.22723	6.0
403.11053	5.7
426.20648	1.4
484.87976	1.3
505.26563	51.9
506.26849	6.2
521.09052	3.8
533.14471	2.3
565.11047	60.0
566.11206	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19569	0.5
51.27374	0.6
59.01252	63.3
60.01598	1.0
61.98703	100.0
69.36305	3.5
71.01254	6.6
72.21355	0.5
73.02824	1.9
80.00226	0.5
82.02286	0.5
83.01263	0.6
85.02844	2.4
87.00766	0.6
89.02332	3.7
96.95879	0.6
101.02335	4.3
101.05988	0.6
104.76742	0.5
113.02341	3.9
119.03395	1.4
139.92938	0.5
152.24786	0.5
161.04520	1.7
246.73201	0.6
276.50156	0.5
331.25085	0.7
399.23819	11.0
400.24277	1.7
417.24969	10.2
418.25598	1.5
459.25937	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	567.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57250	0.5
57.03336	0.5
59.01252	1.6
61.54810	0.4
61.98707	4.6
70.85133	0.6
70.85462	0.6
71.01266	3.5
73.02818	0.9
81.03379	0.4
81.59191	0.4
81.85026	0.5
85.02842	2.1
87.00761	0.5
89.02329	0.9
93.03345	43.6
94.03682	1.5
95.01292	0.8
96.95902	1.5
99.00751	2.1
101.02335	2.0
108.02063	42.1
109.02905	6.6
113.02362	1.7
121.02865	0.8
123.00736	0.6
123.04420	0.5
124.15692	0.4
125.02377	0.5
125.32339	0.4
135.04449	1.0
137.02354	58.1
138.02670	2.7
151.03932	1.4
152.01071	81.4
153.01768	5.1
161.02393	0.5
161.04459	1.1
163.03937	3.5
177.01874	1.1
179.03419	0.7
191.05373	0.5
193.94905	0.4
207.03015	0.6
225.04150	0.4
234.65900	0.4
271.08206	0.5
315.07074	0.5
331.24954	0.7
429.10464	7.1
435.09491	0.9
447.11441	14.5
448.11813	1.7
462.08340	0.4
567.13562	100.0
568.13934	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	567.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64779	0.6
57.03321	2.6
58.00449	0.8
59.01253	11.5
59.08648	0.6
61.98699	1.8
62.05078	0.7
64.05602	0.6
65.00201	1.1
71.01258	8.7
71.54399	0.8
72.99189	0.9
73.02818	1.1
81.03332	9.5
83.01251	4.1
85.02842	1.4
87.00760	0.9
89.02321	13.2
89.02834	1.0
93.03323	6.6
95.01269	1.7
95.04929	0.7
101.02323	3.9
107.01263	0.9
111.04407	0.6
113.02330	3.0
119.03404	4.4
119.04917	9.7
123.04412	29.6
124.04748	1.2
125.02341	31.5
126.02680	1.3
131.03392	1.1
135.04437	1.6
136.17220	0.6
149.02336	3.2
149.96329	0.7
151.00296	2.1
161.04443	1.4
163.04066	0.8
167.03415	89.2
168.03734	4.1
179.03424	8.3
179.05499	3.1
189.05490	1.6
191.03523	2.0
197.22475	0.7
229.08626	1.0
255.06583	1.1
267.08804	0.8
269.08099	0.9
270.13107	0.8
273.07681	100.0
273.49686	0.7
274.08014	8.4
283.09811	2.6
297.07755	1.9
311.09247	7.2
325.10977	1.0
326.11584	6.7
327.12170	0.7
341.13947	9.0
342.14169	1.2
419.11972	3.3
567.17145	29.7
568.17401	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	568.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38370	0.3
59.01257	2.2
61.98703	100.0
62.60994	0.3
62.71606	0.3
66.02009	0.3
71.01257	0.6
71.54076	0.4
79.01770	0.3
84.95306	0.3
85.02805	0.3
89.02265	0.4
93.03332	1.3
94.03707	0.5
96.95886	0.6
101.02339	0.6
105.05133	0.3
109.02860	0.6
113.02313	0.3
137.02312	1.9
138.02737	0.7
152.01106	0.4
153.01816	0.6
161.04543	0.3
165.05508	0.3
167.18456	0.3
185.19656	0.3
311.18674	0.3
371.24512	0.8
406.14032	0.3
448.12164	0.4
568.14087	1.8
568.22461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
57.03321	0.8
59.01255	18.0
61.98381	0.9
61.98703	18.4
69.45329	0.7
70.87669	2.0
71.01253	7.9
73.02819	3.2
75.00745	1.9
78.95750	1.0
81.97997	0.7
82.37110	0.6
83.01259	1.2
85.02814	4.0
87.00755	1.1
87.04391	100.0
88.04733	1.9
89.02339	2.3
96.95876	4.8
99.00746	1.5
101.02328	6.0
113.02359	3.5
131.03384	6.7
134.62242	0.7
143.03452	0.7
161.04443	3.3
165.05493	0.8
191.05533	1.0
212.98508	0.7
238.58690	0.8
256.67374	0.6
339.07480	0.8
377.21762	16.2
378.22018	1.8
421.20627	1.3
451.23700	2.1
509.26141	6.7
569.30402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36380	0.3
59.01250	12.7
61.98705	18.8
69.03334	0.4
71.01246	3.2
71.54445	0.6
73.02805	0.9
73.16362	0.4
74.23329	0.3
75.00741	0.6
83.01250	1.0
85.02822	1.9
87.04392	100.0
88.04739	1.9
89.02318	1.5
96.95890	2.7
99.00759	1.0
101.02341	2.8
113.02325	1.3
125.02351	0.9
130.67798	0.4
131.03404	4.0
145.12262	0.4
161.04561	0.7
191.05592	0.8
234.97786	0.5
289.16632	1.7
307.17679	0.4
340.37460	0.4
341.23306	0.6
377.21838	10.2
378.22125	1.6
421.20917	3.5
509.25848	5.2
510.26666	0.6
569.26971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2895
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.32350	0.4
66.14786	0.4
70.45475	1.2
75.25983	0.5
78.26366	0.4
78.95786	67.0
96.96852	13.9
134.98384	0.6
150.97908	0.7
152.99509	61.3
153.99843	0.6
167.46846	0.5
171.00592	1.1
223.00037	2.0
235.50568	0.4
241.01181	32.8
242.01541	0.7
255.23302	72.1
256.23627	8.9
315.04898	9.5
316.05289	0.5
391.22559	5.7
392.22961	0.7
403.46112	0.4
512.07648	0.5
571.28943	100.0
572.29321	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01586	1.4
61.98710	2.0
62.35895	0.5
65.17022	0.5
69.77687	1.2
69.78097	2.0
71.01253	0.9
72.99187	0.5
75.00752	1.9
83.04925	2.0
97.06428	0.6
123.04458	0.6
171.10199	0.6
191.05603	0.6
209.11783	21.3
210.12170	1.6
227.12917	2.0
275.65103	0.6
289.45541	0.6
295.26038	0.5
351.19724	3.3
352.19922	0.7
358.93317	0.6
365.21417	0.9
391.22870	1.7
409.23926	1.4
423.25455	0.8
431.26108	0.9
441.26801	0.7
449.27045	3.7
467.27942	4.2
511.27353	0.6
529.28027	3.7
530.28601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65758	0.8
57.19211	0.9
59.01252	100.0
60.65975	1.0
61.98692	2.1
62.63372	0.8
70.69133	1.8
70.69456	1.2
72.99181	0.8
73.82316	0.8
75.00735	4.0
80.02564	0.8
83.04892	2.7
96.95914	0.9
109.63251	0.8
123.68043	1.1
163.11139	2.0
165.12790	1.2
165.14134	0.7
170.73141	0.9
171.10182	3.2
179.04535	0.8
179.70546	1.0
179.78836	0.8
191.05589	1.2
193.41119	1.0
209.11766	52.3
210.12085	3.6
227.12813	5.6
348.23767	0.9
372.24475	0.8
391.22739	2.3
405.24316	1.2
409.24078	1.0
424.24539	1.1
443.55621	0.9
449.26974	2.1
467.28107	4.7
529.28223	3.0
569.96259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40837	0.8
57.06455	0.9
71.41129	1.2
72.47059	0.8
93.03345	3.9
105.03289	1.0
121.02839	13.6
122.03642	12.3
123.04436	1.7
130.30342	0.7
133.02840	2.2
134.03590	1.1
135.04413	1.4
136.01559	1.3
147.04378	0.8
149.02347	49.8
150.03136	82.1
151.03545	3.4
164.04701	15.1
165.05489	100.0
166.06273	33.8
167.07034	4.0
175.03951	2.3
177.05426	0.9
180.04272	5.4
181.08617	26.7
182.08972	1.3
195.06561	83.5
196.06854	3.7
225.05382	0.8
254.77440	0.8
266.05560	0.9
267.06592	1.5
269.08279	2.2
270.08878	1.9
279.55475	0.9
285.07614	1.8
298.08435	1.4
313.10776	3.0
314.11569	6.6
315.11758	1.4
329.10501	2.3
329.13928	40.0
330.14288	6.1
343.11890	43.3
344.12033	4.9
377.16043	4.9
391.13858	2.6
510.19214	1.4
525.21307	37.8
526.21692	7.0
584.84192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97095	0.5
59.01255	100.0
60.01592	1.2
61.98711	3.3
66.81562	0.4
69.77579	1.9
69.89811	0.4
72.80399	0.4
75.00771	0.9
80.26981	0.3
84.70826	0.3
93.03325	0.4
96.95921	1.4
98.20052	1.1
110.96167	0.4
152.99458	0.6
191.05577	0.6
194.00539	0.4
197.11807	2.1
209.11829	1.4
264.80099	0.4
443.27203	0.4
458.59036	0.4
510.14420	0.4
513.29163	1.2
573.30933	0.6
602.82440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73637	1.2
52.93903	1.4
59.01254	100.0
60.01577	1.6
61.98707	47.7
69.03332	7.4
71.01257	4.8
71.53863	1.7
78.95774	3.7
85.02830	2.5
89.02277	1.8
93.03335	2.0
96.95880	3.0
97.02831	35.0
99.00715	1.4
100.92733	1.4
120.80101	1.4
120.91089	1.3
126.03091	2.8
146.99487	1.6
149.04462	1.7
152.99464	2.3
171.10236	1.4
185.11752	1.7
191.05490	4.1
210.12048	1.4
215.53812	1.5
240.62164	1.4
314.72504	1.4
353.24902	2.3
393.24231	4.9
449.26807	4.3
493.25864	1.8
495.27628	24.1
496.27936	5.1
513.28503	55.6
514.28986	11.2
560.81195	1.6
573.28558	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	574.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88325	0.6
54.49038	0.5
58.61756	0.4
59.01254	6.5
61.98704	100.0
69.36996	3.1
76.40771	0.5
78.95779	0.7
96.95898	0.6
111.08070	0.6
158.14345	0.5
191.05684	0.5
295.14078	0.5
340.66193	0.5
536.22174	0.6
574.30035	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	574.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84081	0.3
54.50418	0.3
57.95144	0.3
59.01252	3.8
61.98706	100.0
69.03345	0.3
69.24304	1.9
70.79188	0.3
71.01256	0.4
77.76519	0.3
78.95776	2.4
89.02312	0.3
93.03275	0.2
96.95893	0.7
97.02873	0.4
98.19751	0.5
98.20414	1.0
101.02341	0.4
109.69815	0.3
152.99512	1.4
161.02394	0.3
209.11865	1.2
211.13437	1.1
227.12938	0.3
254.19212	0.3
301.36761	0.3
347.12729	0.3
354.18875	0.3
363.12192	0.6
382.23581	0.3
434.38290	0.3
469.08243	0.3
496.27832	0.4
514.29132	0.9
515.29218	0.3
575.27142	0.7
596.09906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02393	0.4
57.03321	3.5
59.01252	100.0
60.01593	1.3
60.33871	0.3
61.98703	1.9
62.57882	0.3
63.15644	0.3
69.54244	0.3
69.87866	0.3
75.00760	0.3
76.59807	0.4
78.95794	0.5
96.95876	0.4
98.19782	0.9
98.28439	0.3
137.26329	0.4
139.11209	0.4
183.10175	0.9
231.17593	0.7
245.19144	0.7
257.19229	1.1
339.26910	0.4
365.25064	0.5
413.26663	0.4
441.30377	0.7
453.30255	1.1
471.31393	1.4
497.29163	1.8
511.26373	0.4
515.30145	40.9
516.30420	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	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35405	0.7
59.01256	13.7
65.06350	0.7
69.57294	0.7
71.01259	4.0
71.43628	1.0
77.52129	0.8
83.01289	0.8
89.02314	1.2
97.06480	4.1
101.02325	2.8
101.25820	0.7
113.02305	1.3
119.03416	0.9
121.78817	0.6
122.18297	0.8
137.06009	2.2
158.17439	0.8
161.04482	1.1
164.04698	7.8
165.05499	2.8
191.05519	1.2
196.03700	2.1
235.08124	1.3
243.00331	0.8
253.09288	12.2
279.23315	100.0
280.23618	10.2
375.25415	1.4
389.27295	1.3
459.31265	3.1
477.31982	3.5
478.32928	7.4
479.33762	1.1
575.39667	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24137	0.2
59.01254	0.5
61.98706	100.0
70.83340	0.3
70.83686	0.3
71.01272	0.8
78.98474	0.3
79.95615	0.6
80.96392	4.0
94.97981	0.9
100.03234	0.2
115.32249	0.2
122.97519	0.5
138.15053	0.2
152.98535	0.5
164.98567	0.9
206.99648	0.4
225.00795	0.7
277.21869	0.7
278.22122	0.9
279.22531	0.7
280.22559	0.5
323.07208	0.3
395.32550	0.2
533.11060	0.5
577.26898	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90488	0.3
59.01233	0.4
61.98702	100.0
65.25443	0.4
69.41575	2.5
78.95792	0.6
80.96379	0.5
81.32420	0.4
98.19829	0.8
147.04436	0.7
149.66086	0.3
189.77354	0.4
191.03458	0.9
211.60078	0.4
278.22177	0.8
342.07642	0.8
400.06140	0.4
408.64935	0.4
413.06265	0.5
431.07886	0.5
459.07394	1.6
471.11273	0.4
475.06955	0.4
489.11877	2.2
503.06195	1.7
518.08539	1.3
533.10895	11.5
577.10504	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80931	0.2
59.01251	24.8
60.01590	0.5
61.98693	0.5
69.97607	1.0
71.01266	0.4
78.95779	8.0
96.96874	0.3
98.20151	0.8
102.18214	0.2
152.99532	1.4
159.46646	0.3
168.04236	1.7
179.41875	0.3
216.20247	0.3
224.06856	1.0
224.81110	0.3
233.22708	0.6
242.07956	4.0
258.53333	0.3
259.20673	0.5
275.20059	0.4
277.21716	100.0
278.22073	11.5
278.24417	0.2
327.05960	0.3
342.07721	0.4
459.07065	0.4
467.24380	0.3
489.11728	0.7
502.29388	26.5
503.05582	0.4
503.29736	5.4
517.68036	0.3
533.10803	3.9
577.09888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85884	0.2
59.01251	29.2
60.45367	0.3
68.34645	0.2
69.03329	0.2
70.73488	0.7
76.47874	0.3
78.95777	28.5
83.04903	0.4
108.59249	0.3
122.98409	0.6
147.04321	0.5
152.99507	3.9
154.32811	0.3
156.80153	0.2
168.04233	4.2
224.06882	11.3
225.07230	0.4
233.22629	0.3
242.07990	3.0
259.20648	0.8
275.20187	0.5
277.21722	100.0
278.22055	10.1
319.82712	0.3
364.00174	0.3
479.28088	0.8
489.11722	0.6
502.29407	70.1
503.06192	0.3
503.29755	11.2
533.10852	2.8
577.09979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32296	1.2
58.02841	3.9
59.01249	3.7
61.98707	7.3
62.56988	1.1
69.72012	6.7
71.01250	2.6
72.00774	9.7
72.04408	2.5
72.99155	1.5
74.02345	100.0
78.19589	1.4
84.04420	6.5
93.03320	3.6
95.01266	1.5
95.04919	1.2
96.95873	2.5
96.96820	1.7
97.01587	1.7
98.02355	8.2
98.20563	1.6
101.02303	2.4
108.02036	3.9
109.02791	2.4
116.04952	66.8
117.05258	3.3
121.02846	15.3
122.03633	6.1
123.04420	14.8
129.05656	1.4
130.06454	1.5
131.03613	3.2
132.02054	1.9
133.02806	5.5
134.03635	18.5
135.03081	1.2
135.03313	1.3
135.04416	14.7
136.01526	1.8
137.02373	1.4
142.06520	14.9
145.02844	15.2
146.03435	1.3
147.04420	2.5
148.98386	1.2
149.02356	38.4
149.03542	2.2
149.04883	1.6
149.05995	33.3
150.03136	52.6
150.05385	2.4
150.06436	1.3
151.03928	33.7
153.28651	1.1
157.07555	3.1
159.09196	12.0
161.02301	4.4
161.04643	2.1
161.05934	1.9
162.03111	2.3
163.03911	4.1
164.04704	8.9
165.04140	1.5
165.05482	23.8
176.06998	1.3
177.05452	4.3
179.05757	3.0
180.04140	3.3
180.06569	5.0
181.04959	10.2
185.04663	2.4
186.05504	5.0
191.05589	2.1
193.07317	2.4
194.08109	6.3
195.06514	1.9
203.08200	94.3
204.08514	6.3
206.89986	1.1
208.09747	1.7
218.08090	4.8
218.88602	1.1
220.06036	1.7
220.09732	19.5
222.07562	1.4
234.07654	14.4
241.08946	1.2
251.07855	2.8
252.08739	4.6
266.10275	11.5
283.09747	3.5
306.09766	2.0
310.08380	1.8
311.09299	1.4
324.12622	2.5
325.10916	6.2
336.14667	1.3
337.15341	5.7
341.12531	2.5
343.12030	1.5
352.69461	1.3
368.11090	1.9
381.14578	14.7
395.16110	59.5
396.16733	7.4
400.13989	8.5
423.15439	1.4
435.15677	14.3
436.15881	1.4
448.16110	1.8
485.21243	1.9
529.19824	47.5
530.20221	8.3
533.10455	3.7
541.19775	21.8
542.20319	5.5
559.12274	1.6
559.20862	36.0
560.21143	7.9
577.21863	76.4
578.22406	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25328	1.0
52.79130	1.3
57.03311	1.8
58.00470	1.9
59.01253	48.3
59.02543	1.1
70.03891	1.2
71.01261	41.9
71.03198	1.8
71.03539	1.5
72.99193	2.0
73.02809	5.9
73.03176	1.2
79.50735	1.0
83.01294	2.1
85.02818	4.6
87.00763	2.4
89.02319	80.1
101.02328	39.0
113.02340	7.7
117.11298	1.0
119.03387	7.5
125.02359	6.1
131.02458	2.3
131.03410	29.6
142.53333	1.2
143.03433	1.9
149.04475	100.0
150.04808	2.5
161.04459	3.5
191.05533	19.4
223.55330	1.5
251.07533	1.7
293.08826	3.4
311.09805	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	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59578	1.7
55.01781	1.9
57.03304	2.9
58.00454	2.4
59.01248	75.9
69.23351	6.5
69.23774	8.4
71.01254	44.5
72.99165	4.4
73.02810	4.9
74.50215	1.6
79.86967	1.8
83.01272	2.6
85.02825	11.2
86.28182	1.7
89.02316	80.4
93.03352	1.8
98.20570	3.2
99.00750	6.9
101.02325	39.5
113.02316	10.0
119.03384	5.6
125.02345	7.1
128.54286	1.6
129.01804	3.4
131.03394	68.0
149.04456	100.0
150.04770	3.3
191.05544	54.0
192.05882	2.4
218.86311	2.0
221.06561	4.4
223.13406	4.6
235.13190	2.5
251.07698	5.5
281.08810	2.5
285.47443	1.7
289.07095	3.8
293.08731	2.5
311.09799	5.7
407.07785	3.8
517.05493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39227	1.0
55.01741	1.1
57.03307	1.0
58.00460	2.8
59.01253	87.1
68.16412	1.0
71.01256	61.1
71.02818	1.6
71.03152	0.8
72.01583	1.2
72.99176	3.4
73.02826	5.8
81.12421	0.9
83.01260	2.5
85.02825	9.2
87.00726	1.8
89.02320	100.0
90.02630	1.2
99.00779	4.9
101.02326	39.9
113.02336	11.1
119.03413	5.3
125.02325	3.7
129.01843	4.0
131.03397	67.3
132.03741	1.5
143.03497	1.2
149.04463	78.4
150.04773	2.4
161.04466	1.0
162.85590	1.0
173.04463	1.3
191.05551	37.6
192.05978	2.1
221.06589	3.8
227.92122	0.9
251.07935	4.4
258.24457	0.9
277.03979	0.8
281.08829	0.8
289.07050	1.2
293.08972	1.5
308.89920	0.8
311.09760	3.2
318.02740	1.0
352.50714	1.0
407.07532	1.0
437.74994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48485	0.4
59.01258	2.2
62.67279	0.4
63.96107	1.1
69.03310	0.5
69.45687	2.7
71.01256	6.9
73.02816	1.8
74.02353	0.9
75.10889	0.4
78.98463	6.0
79.95168	0.2
79.95607	9.4
80.96392	64.7
81.03342	0.7
85.02830	3.1
87.00748	3.2
89.02335	1.0
94.97964	15.0
96.95885	1.2
97.02835	1.8
101.02303	2.9
101.88763	0.5
104.94335	0.4
106.97967	4.0
113.02306	0.5
122.97464	5.6
125.02358	2.9
127.03931	0.7
134.97464	5.0
136.99031	1.3
138.41908	0.4
141.06618	0.9
148.99040	5.8
150.63573	0.4
152.98552	6.8
164.98557	10.2
165.80278	0.4
167.00063	0.6
182.99631	3.0
206.99571	2.3
225.00702	14.2
226.01112	0.6
243.01820	1.0
277.21741	3.5
299.04282	2.4
411.88495	0.4
446.65744	0.7
533.11029	1.0
576.76141	2.3
577.26862	100.0
577.76367	0.9
578.27216	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02258	0.4
55.01790	0.4
58.05762	0.4
59.01242	1.2
60.46428	0.4
63.96109	1.8
70.41213	1.2
71.01254	8.2
73.02825	1.3
78.98463	6.3
79.95608	10.6
79.96082	0.5
80.96391	74.3
83.01291	0.6
85.02806	2.9
87.00755	3.2
94.97959	17.2
96.95869	0.7
97.02823	1.5
99.00795	0.5
101.02330	3.0
106.97972	3.4
116.16827	0.4
122.97466	6.1
125.02345	2.6
127.03911	0.7
128.58403	0.4
134.97482	4.7
136.99123	0.7
148.99051	6.2
152.98550	6.6
164.98558	11.2
182.99643	2.4
199.71790	0.4
206.99603	2.6
225.00699	17.9
226.00986	0.6
243.01785	1.3
249.38487	0.4
277.21613	2.4
299.04456	2.3
380.10483	0.4
518.08380	0.5
533.10681	1.0
577.26855	100.0
578.27197	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84579	0.4
59.01260	4.3
63.96114	1.4
67.01809	0.4
69.03327	0.5
69.41689	1.1
69.42092	1.4
71.01263	7.9
73.02836	2.2
78.60812	0.5
78.95798	1.1
78.98474	5.9
79.95619	11.3
80.96400	72.1
81.03336	1.1
85.02818	3.5
87.00768	2.5
90.12325	0.4
90.78619	0.4
94.97976	16.6
96.95889	1.2
97.02853	1.7
99.00761	0.6
101.02310	2.7
106.97976	3.6
122.97485	6.6
125.02340	2.9
126.64057	0.4
127.03917	0.6
134.97513	4.4
136.99055	1.8
146.97528	0.6
148.99052	6.8
152.98549	6.9
152.99680	0.6
164.98567	10.7
167.00127	0.5
168.04269	0.5
182.99591	2.6
206.99654	3.1
225.00714	17.6
226.01042	0.6
242.07954	0.5
243.01784	1.5
277.21744	2.0
279.23315	21.5
299.04483	3.1
504.31082	6.5
577.26929	100.0
578.27228	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	577.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57788	1.7
59.01266	15.8
61.98721	15.3
71.01273	7.6
73.02815	1.8
78.95791	21.8
78.98475	5.6
79.95626	10.6
80.96400	74.8
85.02844	4.2
87.00761	2.0
94.97976	13.9
96.95917	1.6
97.02771	1.8
101.02326	3.3
106.97985	4.0
109.16064	1.3
120.30284	1.3
121.02905	1.5
122.97476	3.6
125.02349	4.4
134.97478	4.4
147.04431	2.2
148.99042	6.4
152.98502	4.0
152.99522	3.9
164.98541	9.6
168.04291	2.6
191.05679	3.8
196.03761	2.4
206.99504	2.1
224.06898	4.7
224.48944	2.1
225.00760	15.4
277.21631	3.4
279.23325	66.6
348.26917	1.4
379.28391	3.1
380.28809	5.4
390.69379	1.6
476.27942	4.1
489.12161	2.1
503.06165	2.4
504.31067	35.3
533.10944	15.2
534.10822	3.1
577.26935	100.0
578.27289	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.9
61.98704	28.1
63.99128	3.2
69.28634	3.7
71.01248	1.1
78.95786	5.8
78.98454	1.1
79.95610	2.2
80.96392	12.3
82.95965	0.9
85.02775	0.4
87.00700	0.6
94.97952	2.5
96.95897	0.4
101.02344	0.6
106.97997	0.5
121.97762	0.5
122.97517	0.5
134.97496	0.6
147.04456	0.4
148.98982	0.9
152.98511	1.2
152.99500	1.3
164.98544	2.0
168.04192	1.4
224.06888	1.8
225.00696	2.4
226.01164	0.5
242.07941	3.1
261.22150	0.6
278.21970	0.8
279.23285	100.0
280.23621	11.3
460.07318	0.8
490.12244	1.2
504.30969	30.3
505.31342	4.8
534.11298	5.4
578.27173	20.9
578.36340	0.8
579.26929	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.0
61.98695	0.4
63.88049	0.2
68.31962	0.2
69.24000	0.5
69.24414	1.4
70.16745	0.2
78.95777	21.6
79.36489	0.2
79.95596	0.5
80.96407	1.2
90.22347	0.2
92.84707	0.2
96.96864	0.4
98.20606	0.5
122.98454	0.5
152.98470	0.4
152.99510	3.0
164.98587	0.2
168.04243	3.6
194.05733	0.4
224.06889	9.7
225.07245	0.2
242.08031	2.0
247.69351	0.2
261.22235	0.4
279.23288	100.0
280.23627	11.3
280.26761	0.4
280.77130	0.2
353.97101	0.2
392.64917	0.2
403.06140	0.2
504.30981	55.6
505.31317	9.1
534.10974	0.5
578.27185	1.9
579.27002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1354
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
54.48805	0.7
59.01253	1.6
65.00222	0.7
69.38125	2.4
69.38552	2.4
75.91236	0.7
85.72524	0.7
93.03333	0.7
106.92899	0.7
107.01281	1.8
111.21384	0.7
117.03378	0.6
132.02072	1.2
135.00752	1.0
136.69624	0.6
143.04970	0.7
151.00285	3.1
163.00316	2.2
178.99739	1.5
183.04462	1.2
185.06030	1.4
187.03949	1.1
189.44157	0.7
199.03998	0.8
211.03958	2.6
227.03461	53.2
228.03870	3.3
229.05005	3.6
239.03470	0.8
255.02979	84.2
256.03473	11.8
257.04529	1.8
258.04745	0.7
280.91656	0.8
283.02466	1.9
284.03268	100.0
285.03937	29.8
286.04401	2.1
429.08331	1.8
459.09421	0.9
579.13568	56.5
580.13727	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	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40221	0.3
52.81862	0.3
56.85638	0.3
59.01242	1.4
65.00199	0.7
69.68370	1.5
71.01262	1.0
83.01251	0.7
85.02826	0.4
86.55090	0.3
89.02294	0.3
93.03397	0.3
98.19792	0.6
101.02344	0.8
107.01282	1.3
108.02055	1.6
109.02869	0.3
119.04946	0.6
135.00813	0.4
148.01549	1.1
151.00298	3.3
154.06012	0.3
163.00252	0.8
163.06033	0.3
164.01106	0.5
169.01517	0.3
178.99811	2.3
180.85118	0.3
187.03842	0.4
191.05658	0.3
192.00545	0.4
199.03894	0.8
215.03496	0.6
216.04169	0.6
226.02710	1.2
227.03458	2.8
229.01329	0.5
243.02963	9.2
244.03514	0.8
254.02225	1.7
255.02962	23.9
256.03333	2.3
271.02487	52.9
271.05737	2.0
272.02914	5.3
284.03165	0.5
299.01932	2.3
300.02747	100.0
301.03253	12.8
302.03625	0.8
303.04358	0.4
373.22314	1.1
429.08224	0.4
447.09259	0.7
519.28497	1.8
579.13550	57.4
580.13824	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	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40221	0.3
52.81862	0.3
56.85638	0.3
59.01242	1.4
65.00199	0.7
69.68370	1.5
71.01262	1.0
83.01251	0.7
85.02826	0.4
86.55090	0.3
89.02294	0.3
93.03397	0.3
98.19792	0.6
101.02344	0.8
107.01282	1.3
108.02055	1.6
109.02869	0.3
119.04946	0.6
135.00813	0.4
148.01549	1.1
151.00298	3.3
154.06012	0.3
163.00252	0.8
163.06033	0.3
164.01106	0.5
169.01517	0.3
178.99811	2.3
180.85118	0.3
187.03842	0.4
191.05658	0.3
192.00545	0.4
199.03894	0.8
215.03496	0.6
216.04169	0.6
226.02710	1.2
227.03458	2.8
229.01329	0.5
243.02963	9.2
244.03514	0.8
254.02225	1.7
255.02962	23.9
256.03333	2.3
271.02487	52.9
271.05737	2.0
272.02914	5.3
284.03165	0.5
299.01932	2.3
300.02747	100.0
301.03253	12.8
302.03625	0.8
303.04358	0.4
373.22314	1.1
429.08224	0.4
447.09259	0.7
519.28497	1.8
579.13550	57.4
580.13824	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.9
59.12587	0.5
63.96113	1.0
69.03333	0.5
71.01252	6.8
73.02834	1.6
74.27399	0.4
78.98460	5.4
79.95604	9.0
80.96391	63.4
81.03300	0.6
82.34135	0.4
85.02827	2.8
87.00257	0.6
87.00737	3.0
94.97961	15.7
96.95901	2.7
97.02837	1.4
101.02326	2.3
106.97948	3.3
122.97482	4.9
125.02339	2.9
127.03918	0.7
128.25047	0.4
129.38908	0.5
134.97499	4.3
136.99037	1.4
148.99052	5.8
152.98552	6.2
164.98546	10.5
182.99600	3.0
206.99596	2.6
225.00696	16.7
226.01097	0.6
243.01788	1.6
279.23242	2.6
281.24817	0.7
291.33670	0.5
299.04404	1.9
579.28430	100.0
580.28766	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	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07006	0.1
57.67497	0.1
59.01257	0.3
61.98702	100.0
62.98387	0.2
69.37673	0.6
78.95779	1.0
105.64725	0.1
152.99506	0.3
206.13000	0.1
224.06950	0.2
248.36185	0.1
277.21738	1.6
278.22040	0.6
279.22382	0.3
280.22720	0.2
502.29422	0.9
503.30267	0.1
504.30295	0.4
505.30487	0.4
535.11469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45067	0.1
59.01255	0.3
61.98709	100.0
62.98384	0.3
71.43026	0.2
78.95811	0.5
127.99142	0.2
143.83650	0.1
152.02380	0.2
152.99518	0.5
183.84648	0.1
221.45082	0.1
236.02780	0.2
252.93611	0.2
277.21747	2.0
278.21973	0.7
279.22632	0.5
280.22757	0.2
372.41345	0.2
435.28809	0.3
497.29318	1.5
498.29556	0.3
502.29626	0.8
504.30563	0.2
505.30750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47445	3.2
59.01257	32.9
61.98708	87.9
63.41872	3.2
71.01254	9.9
71.54710	3.9
73.02835	3.9
78.95769	7.9
87.00755	5.9
89.02316	4.9
96.95901	17.6
101.02290	6.0
110.73827	3.7
151.03868	3.5
231.10873	3.2
327.25604	8.7
357.22174	7.0
357.26456	100.0
358.26837	11.7
386.51544	3.5
409.22263	3.9
501.19147	6.1
507.26013	4.1
519.38904	5.5
561.21460	4.8
579.28131	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	580.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15342	0.3
57.65369	0.3
59.01250	4.2
61.98706	100.0
64.48219	0.3
69.74184	0.4
70.82935	0.9
71.01258	2.5
71.52562	0.4
72.01610	0.6
83.35641	0.3
84.54582	0.3
85.65116	0.4
87.80035	0.4
89.02309	3.8
90.02669	0.7
91.02771	0.5
93.03332	0.4
101.02348	1.2
102.02679	0.5
103.28991	0.4
131.03406	1.8
132.03755	0.9
133.03835	0.8
145.49745	0.4
149.04456	2.3
150.04810	0.9
151.04997	0.6
191.05525	1.7
192.05875	0.8
193.05994	0.6
201.18217	0.4
241.34944	0.4
270.14008	0.4
315.20288	0.4
330.22919	0.4
581.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1827
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.24881	1.5
59.01186	1.3
59.28191	1.5
71.01250	2.0
77.00311	1.3
78.95775	100.0
79.75215	1.6
79.93175	1.3
91.29482	1.3
96.95874	3.8
96.96847	5.2
97.59300	1.1
98.95461	2.9
99.92467	9.0
115.91968	33.8
116.92000	2.3
116.92737	26.7
142.94255	1.5
150.97899	3.6
151.08942	1.4
152.99483	21.1
153.07057	1.4
156.46896	1.5
163.89633	2.1
171.00546	12.2
172.95354	7.0
178.88393	2.8
179.89140	38.2
180.89955	29.6
181.90681	2.8
194.87689	1.6
196.89417	46.3
197.89413	3.5
205.90686	4.5
206.91470	3.9
219.92313	1.7
221.90157	4.1
234.91048	1.4
235.91809	8.6
236.92563	24.9
237.92818	2.0
245.04254	2.8
252.91812	3.1
253.21750	1.8
270.93259	1.5
276.95621	3.4
278.93704	6.0
289.18393	1.5
292.95316	2.3
295.93918	2.0
309.95502	3.1
310.96356	8.3
473.13852	4.6
481.25659	4.8
490.14328	6.2
491.14261	1.9
533.16089	3.1
545.15924	5.1
563.17236	7.1
581.18201	66.3
582.18591	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.3
61.98709	6.3
64.30817	0.5
65.03831	0.8
67.01734	0.9
71.01270	4.9
71.34108	0.8
73.02806	2.3
81.03327	15.5
85.02818	3.0
87.00733	1.3
87.63121	0.6
89.02303	1.2
93.03343	3.8
95.01260	0.8
101.02325	2.1
106.04129	1.5
108.02101	1.3
109.02863	1.5
113.02321	2.8
122.03626	1.5
123.04414	57.5
124.04728	1.8
125.02312	0.8
131.03412	0.7
135.04340	0.7
137.02292	0.8
138.03020	1.0
143.03400	0.9
159.93594	0.7
191.05568	2.4
227.07086	0.7
229.08664	70.5
230.08998	6.6
255.06641	1.7
273.07645	0.7
274.46155	0.6
363.99426	0.7
408.04944	0.6
419.10962	0.7
469.21951	0.6
581.18774	100.0
582.09680	0.9
582.19135	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52443	4.3
51.72706	3.5
53.26452	4.4
59.01252	83.3
60.21539	3.4
61.36777	3.8
61.98683	4.3
63.48415	3.9
71.01256	60.7
71.03540	8.8
89.02317	100.0
92.46685	3.7
101.02312	26.4
109.92417	4.9
113.02319	26.7
119.03401	38.3
131.03442	4.8
143.03384	7.2
161.04428	6.1
169.01430	3.5
179.05562	29.1
283.09793	15.6
311.09247	51.1
312.09390	5.9
325.10788	6.4
326.11475	36.5
327.11841	4.7
341.13901	55.5
342.14117	8.9
385.37894	4.1
588.92877	4.2
598.52106	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.31812	0.2
60.01591	1.0
60.85123	0.3
70.04444	1.1
71.01247	0.5
75.42154	0.2
89.89601	0.3
99.92464	0.3
113.02380	0.3
113.12426	0.3
113.99348	0.2
114.30408	0.2
116.12270	0.3
116.92743	2.0
117.92754	0.3
121.02846	1.7
135.04428	0.4
141.68800	0.3
147.04448	0.6
161.04510	0.3
166.56987	0.2
188.03783	0.3
240.04224	0.8
241.08601	0.3
255.10155	0.9
269.08218	8.0
270.08542	0.9
271.02432	0.4
271.09778	0.5
281.08194	0.9
283.09692	3.2
284.10062	0.6
286.03793	0.3
295.09702	0.4
296.10403	0.4
297.11038	0.3
298.12082	0.7
299.09262	5.6
300.09561	0.7
311.09238	7.7
311.12766	0.6
312.09653	0.6
314.11606	11.9
315.11853	1.3
316.02228	0.3
325.10986	1.2
326.11563	7.1
327.11926	0.7
329.13937	37.5
330.14258	3.6
341.13931	18.8
342.14319	2.8
397.82574	0.3
581.13403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17405	0.3
57.03334	0.3
59.01260	0.9
63.96109	1.1
69.03303	0.4
70.91353	0.9
71.01258	6.6
73.02825	1.4
78.95777	0.4
78.98468	5.1
79.95607	9.1
80.96392	60.9
81.03327	0.6
85.02824	2.3
87.00755	2.4
94.97961	13.4
95.01276	0.4
96.95887	0.9
97.02841	1.3
99.00748	0.9
101.02316	2.0
106.97968	3.1
113.46029	0.3
120.99562	0.3
122.97466	4.8
125.02357	3.2
127.03944	0.6
134.97491	4.1
136.99045	1.0
148.99052	5.2
152.98538	6.4
164.98549	10.9
167.00061	0.5
182.99603	2.2
191.05525	0.3
206.99670	2.2
210.18672	0.3
225.00699	15.7
226.00945	0.4
232.72943	0.3
243.01633	1.7
281.24936	3.4
283.26385	2.2
299.04382	3.1
315.78409	0.4
508.34036	1.2
555.43909	0.4
581.30011	100.0
582.30353	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	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.3
61.98703	100.0
62.98387	0.2
69.27438	0.1
69.27754	0.6
78.95777	0.9
96.96809	0.1
131.85744	0.1
152.99522	0.3
164.64548	0.1
195.17876	0.1
224.07039	0.1
279.23331	1.7
280.23593	0.8
281.23911	0.4
282.24371	0.2
339.26486	0.1
349.33670	0.1
408.74368	0.1
433.23962	0.1
504.30951	0.9
505.31558	0.2
506.31845	0.2
507.31870	0.7
581.32458	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	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42528	0.1
59.01236	0.3
61.98703	100.0
62.98420	0.2
69.59147	0.5
69.59562	0.4
71.92305	0.1
78.95782	0.3
80.96394	0.4
82.95959	0.8
84.95922	0.1
85.10677	0.1
98.19885	0.3
113.84777	0.2
128.21031	0.2
133.59995	0.2
139.69661	0.2
152.99536	0.4
215.84007	0.2
272.17999	0.2
279.23303	2.4
280.23648	1.0
281.24026	0.6
282.24423	0.4
333.57639	0.1
504.31055	0.8
505.31616	0.2
507.31866	0.4
581.27106	2.4
582.28015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89116	1.8
56.98050	1.7
57.49678	1.8
57.81307	1.8
59.01250	15.3
61.98704	37.2
69.45210	13.3
71.01261	6.0
73.02827	2.1
75.00736	2.1
78.95815	2.4
85.02827	4.5
87.00771	1.9
91.06425	2.1
95.04888	2.3
96.95890	7.1
96.96907	2.2
101.02302	3.5
113.02363	4.5
149.02351	4.3
150.03130	12.4
152.69432	2.0
165.05489	22.9
195.06543	10.2
207.54402	1.8
209.11806	3.0
271.06158	3.2
297.07474	2.4
311.26035	2.3
313.23837	4.3
327.19705	6.3
341.26801	3.4
345.20850	9.9
355.08173	7.6
359.28043	100.0
360.28552	13.1
363.21799	16.4
364.22281	3.4
370.10330	3.5
385.13031	11.3
436.00629	2.6
487.10315	2.4
533.18048	2.7
581.29767	35.4
582.30060	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	582.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02013	0.1
55.05011	0.2
57.03708	0.2
59.01251	0.6
61.98705	100.0
62.98419	0.2
63.77832	0.2
64.26562	0.1
65.50360	0.1
67.57484	0.1
71.01250	0.2
75.00753	0.6
79.27877	0.1
87.04410	0.3
89.11759	0.2
96.95913	0.3
98.19819	0.3
150.03163	0.4
165.05461	0.2
195.06577	0.3
364.22235	0.2
582.30426	0.2
583.28589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.2
59.43909	0.1
61.98705	100.0
62.37756	0.1
62.98410	0.3
69.27577	0.6
69.28004	0.6
71.01257	0.4
73.90984	0.1
81.35382	0.2
82.14622	0.1
82.32348	0.2
85.02797	0.1
88.79481	0.1
89.02312	0.3
93.03348	0.2
96.95920	0.3
98.00546	0.2
101.02323	0.2
121.02851	0.2
125.02354	0.2
137.02402	0.2
141.01645	0.2
149.02342	0.3
150.03119	0.8
165.05457	1.3
168.82292	0.2
185.82062	0.2
191.05589	0.6
192.13844	0.1
195.06497	0.9
341.10577	0.2
359.15155	0.4
371.15283	0.3
537.21631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98408	0.2
69.27433	1.1
71.01252	0.2
75.80766	0.1
85.42534	0.1
89.02335	0.2
107.40939	0.1
120.35139	0.2
191.05695	0.2
254.64746	0.2
262.82376	0.2
266.08881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
61.22020	0.2
61.98705	100.0
63.96395	0.2
69.24162	1.9
71.01260	0.3
75.00758	0.5
76.03711	0.2
95.32935	0.2
96.95911	0.6
96.96858	0.2
117.46703	0.2
120.72966	0.2
144.92479	0.2
155.20695	0.2
173.12947	0.2
187.61592	0.2
191.05708	0.4
197.19112	0.2
478.10645	0.2
613.79248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	4.7
63.67959	0.3
69.71933	1.0
69.72326	0.6
93.03339	4.6
95.01297	0.4
95.04900	0.7
96.95928	0.8
105.03300	0.5
109.02858	0.6
111.86382	0.3
121.02843	7.1
122.03634	12.9
123.04475	0.5
124.01506	0.4
125.02311	0.4
132.02089	0.5
133.02879	2.0
135.04401	0.4
136.01556	1.2
148.01546	0.5
149.02354	37.7
150.03137	96.6
151.03429	3.9
160.01534	0.4
163.03940	0.6
164.04706	8.0
165.05490	100.0
166.05830	4.6
171.67542	0.4
179.07083	1.2
180.04214	6.5
181.04817	0.4
195.06566	53.8
196.06885	3.2
204.34424	0.4
223.09529	0.4
226.08553	0.5
242.09529	0.7
257.11774	0.6
258.08768	0.5
266.06171	0.4
269.07791	0.4
270.08926	1.9
271.09488	0.7
283.09668	1.6
284.06955	0.6
284.10132	0.6
285.11374	2.0
286.08264	0.7
297.11102	1.0
298.08505	1.1
299.09137	1.7
299.12796	1.3
301.10681	0.7
310.08374	0.7
311.09280	1.3
313.10840	1.0
314.08286	1.8
325.10825	1.8
326.08035	0.8
326.11578	1.0
327.08731	0.6
327.12427	4.5
328.09354	0.7
328.13101	8.3
329.10266	6.1
329.13644	0.6
330.10818	1.2
339.12732	0.5
341.10342	7.5
341.14005	0.7
342.10690	0.8
343.11722	0.6
343.15515	1.5
344.12585	7.8
345.13022	1.7
355.11734	0.4
356.12646	2.6
357.13254	1.0
359.14999	19.3
360.15408	1.8
371.14978	13.7
372.15210	1.5
461.15930	1.6
462.16214	0.4
463.17984	1.7
492.17841	1.3
507.20215	8.4
508.20389	1.6
519.20203	1.2
522.18768	0.6
537.21332	39.1
538.21655	7.7
585.23218	3.0
586.23730	0.5
589.60980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24011	0.3
59.01258	2.4
61.98706	7.6
69.34924	2.3
71.01250	1.0
81.03388	0.4
87.00740	0.6
89.02291	0.6
93.03338	5.2
96.95885	1.7
100.80606	0.4
101.02290	0.7
109.75774	0.4
113.02322	0.6
114.87644	0.3
121.02854	3.7
122.03641	13.0
123.04319	0.5
125.02347	1.6
130.11761	0.4
133.02870	1.5
134.03699	0.5
136.01526	1.3
137.02344	1.0
149.02345	19.1
150.03133	88.3
151.03479	3.9
156.56700	0.4
160.01509	0.6
164.04677	3.2
165.05487	100.0
166.05833	5.2
180.04187	6.3
191.05521	1.5
193.45615	0.5
195.06561	71.1
196.06921	3.8
210.64011	0.4
214.62645	0.4
223.09731	0.5
242.09398	0.5
257.11795	0.5
269.08109	0.5
270.09000	2.0
285.11365	1.4
286.08597	0.6
295.09631	0.5
298.08453	0.5
299.09207	1.2
313.10815	0.8
314.07959	2.1
324.09949	0.5
325.10678	0.9
326.07755	0.7
326.11288	0.6
327.11978	0.4
329.10321	6.0
330.10583	0.5
330.66135	0.4
341.10233	5.9
342.10480	0.8
344.12616	6.1
345.13174	0.7
356.12650	2.0
357.13214	0.6
359.15009	19.1
360.15448	2.3
371.14990	14.0
372.15292	1.8
376.09326	0.4
393.19006	0.6
423.20032	0.8
507.20074	0.6
519.20276	0.4
537.21155	2.5
585.23846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47372	2.0
59.04127	2.1
63.69555	2.1
65.12871	2.1
69.58929	10.1
71.71188	1.9
73.02814	2.9
85.02832	2.5
98.20541	2.8
112.80339	1.8
191.05539	100.0
192.05972	3.4
233.10271	5.8
303.26746	2.0
339.20923	2.3
353.08817	13.5
354.09372	3.4
415.22424	2.2
574.38739	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	587.308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09084	1.0
59.00992	1.6
59.01260	17.8
61.98703	4.2
71.01263	7.3
78.67244	1.0
83.01273	2.2
85.02834	2.1
87.00780	1.8
89.02329	5.6
96.95902	3.1
101.02320	6.4
101.44909	1.2
113.02337	3.3
119.03419	1.7
125.02336	1.4
126.44614	1.2
131.03395	2.7
142.10612	1.6
149.04507	2.6
154.74863	1.1
157.08591	2.4
161.04454	1.7
165.12799	16.2
171.10207	8.9
191.05574	1.5
197.11835	8.5
211.13333	2.5
225.11317	1.1
226.31616	1.1
233.15456	21.4
234.15636	1.9
247.20724	8.5
253.09264	16.8
273.18579	4.5
291.19696	100.0
292.19974	9.6
333.20636	1.3
355.13275	1.3
373.03531	1.3
434.88892	1.3
518.35077	1.2
527.28876	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	589.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
59.01254	100.0
60.01583	1.2
61.98706	12.9
71.01269	1.5
71.54232	0.8
72.99202	1.4
73.16414	0.6
75.00746	4.5
79.05460	0.8
83.04921	2.6
85.02829	1.1
87.00763	3.1
96.95914	2.7
99.04422	1.5
107.04947	2.6
125.05981	1.1
139.07564	2.8
143.10741	3.0
159.10242	0.8
174.61523	0.7
209.11880	2.5
211.11313	1.9
211.13403	2.2
227.12846	1.2
228.08154	1.1
268.02704	0.7
291.17682	2.4
308.63132	0.8
321.22385	2.5
331.20505	0.8
335.16635	1.8
341.21164	1.3
347.23972	2.4
357.21008	1.0
361.18155	1.9
363.23453	1.5
365.21213	18.5
366.21735	2.6
367.22910	0.9
381.24329	15.3
382.24844	1.9
383.22241	12.5
384.22900	1.7
391.22833	25.5
391.27725	1.5
392.23444	2.5
397.24149	0.9
409.23853	43.1
410.24252	6.2
421.27875	1.8
423.25650	1.7
425.23932	1.2
427.24860	3.6
441.26648	3.2
449.27222	1.9
451.25259	1.0
467.28201	2.7
485.29163	1.4
529.28033	3.5
530.28729	1.2
547.29462	4.6
548.29736	1.0
589.30573	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	589.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
60.01592	1.0
61.98720	2.1
69.44376	2.8
72.53143	0.5
72.99179	3.3
73.33545	0.4
96.95940	1.0
104.56930	0.4
143.10710	1.1
148.40172	0.5
193.23969	0.5
209.11882	0.4
227.12944	0.7
270.35883	0.5
286.67554	0.6
365.21387	0.9
376.69604	0.5
419.25922	0.9
465.26596	1.3
493.26227	0.7
511.26984	0.7
529.28247	4.6
530.28674	0.8
530.76019	0.6
567.70361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.0
72.99176	2.2
75.00750	100.0
75.55578	0.6
76.01092	1.5
78.95784	0.8
86.63333	0.5
105.11398	0.6
220.16516	0.6
277.21753	1.7
335.00446	0.7
389.51501	0.7
505.26089	1.0
534.18250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
68.99690	4.3
69.58790	1.9
69.59183	3.6
72.99176	13.3
74.71967	0.9
83.25685	1.1
96.99198	1.6
98.20006	1.8
100.98715	1.3
112.97980	1.1
112.98707	9.9
124.98698	12.8
140.98199	55.7
141.98985	100.0
142.99777	36.0
162.06129	1.1
168.29039	1.0
191.81813	1.1
199.12943	1.0
227.56955	1.0
395.02753	0.9
464.99527	1.0
572.91846	1.0
589.34241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24376	0.8
56.31420	0.7
60.99189	1.2
61.04174	0.9
68.99691	3.6
71.53740	0.9
72.99187	7.8
79.02881	0.8
79.31863	0.8
96.99195	1.2
100.98705	1.3
112.98687	8.5
124.98701	7.2
140.98210	46.3
141.98985	100.0
142.33856	0.9
142.99780	26.0
143.50714	1.0
144.00079	1.0
195.97876	0.9
220.98851	0.9
545.24329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87162	1.3
55.01760	2.8
55.33580	1.4
57.03316	5.4
58.00462	3.4
59.01257	100.0
61.98713	29.3
64.30720	1.5
69.03339	2.0
71.01261	85.1
72.38878	1.3
72.99197	7.5
73.02825	14.2
74.70564	1.4
74.76871	1.4
78.95776	4.9
80.52148	1.8
83.01253	6.7
85.02833	28.6
87.00758	5.2
89.02327	65.4
92.13711	1.4
93.61395	1.4
95.01263	3.9
96.95893	7.3
98.66992	1.6
99.00746	9.1
101.01695	3.2
101.02335	54.4
102.02622	1.8
109.02851	1.6
113.02341	32.2
119.03414	15.9
125.02364	4.4
131.02475	2.6
131.03418	52.0
143.03452	7.7
143.04419	1.6
149.04474	29.4
152.99474	4.0
159.02853	3.4
161.02383	2.1
161.04474	29.3
179.05560	15.1
191.05548	25.3
203.66139	1.4
243.47194	1.7
251.07623	2.7
293.08945	2.2
369.26538	1.9
399.23907	73.9
400.24332	10.2
421.70038	1.7
504.57092	1.7
531.27747	34.6
532.28699	5.2
575.83868	1.9
591.28223	6.4
609.87274	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	591.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99979	0.7
53.07220	0.7
55.01764	1.4
59.01249	12.1
61.45490	0.7
61.98705	37.9
65.03830	0.9
67.01778	0.8
69.03324	1.0
69.40231	2.8
69.40659	2.7
71.01254	9.9
73.02822	18.2
78.95782	1.6
81.03342	2.5
83.01305	1.1
83.04902	5.8
85.02825	6.6
87.00755	1.3
89.02335	3.7
90.27866	0.7
93.03336	45.8
94.03658	1.1
96.95879	4.8
98.20528	1.4
99.00759	5.2
99.04408	5.4
101.02329	5.8
106.44101	0.8
109.02851	1.5
111.04411	16.7
113.02320	2.6
119.03421	1.0
125.02358	1.5
129.01816	2.1
131.03352	2.7
135.04446	0.9
137.02351	11.8
143.03453	3.5
146.32178	0.8
149.04417	1.8
155.03401	9.4
161.04469	2.7
171.10164	1.3
173.04474	100.0
174.04869	4.2
191.05547	2.7
191.32246	1.0
201.11279	1.2
237.14954	1.1
267.15924	1.1
369.22769	1.2
399.23853	12.0
400.23865	0.9
420.95560	0.8
434.09027	0.8
531.27863	6.1
583.43915	0.8
591.16058	1.4
591.27051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	20.4
70.02847	20.8
71.76266	8.5
73.30011	9.1
93.03296	9.1
93.80850	8.6
94.12277	7.9
108.22604	8.1
109.02837	36.9
119.45153	7.8
123.04392	14.5
125.02347	100.0
137.02357	19.5
149.02357	14.9
151.03928	20.4
170.88853	8.8
177.01868	99.0
187.03909	11.7
218.76883	9.5
245.08186	9.4
247.05992	8.6
255.02950	15.6
266.21368	8.4
282.55630	9.1
289.07156	36.0
318.22803	8.6
407.07541	25.1
408.07776	11.1
425.09186	11.4
463.77396	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	593.1514
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
59.01245	0.4
60.99910	0.3
61.98730	0.5
63.02266	0.4
65.00201	0.4
69.32392	2.4
83.01274	0.5
85.02814	0.3
93.03357	0.5
93.90168	0.3
96.95866	0.4
107.01234	1.4
108.17125	0.3
110.15788	0.3
110.60107	0.3
117.03336	0.4
132.02090	0.9
135.00768	0.9
137.02405	0.4
151.00299	2.5
159.04430	0.4
161.76125	0.3
163.00262	1.3
165.01834	0.3
169.01396	0.4
178.99763	0.4
183.04446	0.5
185.02196	0.5
185.05956	1.2
187.03906	1.3
191.05530	0.4
195.04494	0.4
199.03889	0.5
210.03461	0.4
211.04060	1.5
213.05489	0.9
227.03445	31.7
228.03743	1.8
229.04993	4.5
230.05363	0.3
239.03360	1.0
240.04034	0.3
241.04979	0.5
255.02960	57.8
256.03479	6.3
257.04523	2.8
269.04468	0.5
283.02509	0.7
284.03253	74.8
285.03976	32.3
286.04385	2.2
293.08575	0.7
299.02271	0.4
299.05753	0.4
300.02734	0.4
313.28476	0.3
327.05130	1.0
415.64063	0.3
593.15106	100.0
594.15411	15.5
610.93341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59299	0.5
53.68952	0.5
63.02269	1.0
65.00200	0.9
69.37807	2.5
69.38216	1.2
69.94901	0.4
76.59283	0.5
78.13882	0.5
83.01266	0.6
86.09568	0.5
91.01786	0.7
93.03326	1.5
107.01254	2.5
109.02847	1.4
110.52985	0.5
115.60184	0.5
117.03327	0.6
132.02040	1.1
135.00757	2.1
143.04924	1.6
145.02864	0.6
145.06412	0.7
151.00278	2.6
153.01808	0.7
154.04144	0.7
157.06537	1.1
159.04434	1.2
163.00298	1.6
169.06509	0.8
171.04315	0.7
178.99707	0.6
183.04459	1.4
184.05132	0.6
185.05989	2.6
187.03906	4.2
189.05473	1.1
190.36502	0.5
195.04446	1.4
197.05954	1.0
199.03923	0.9
201.05457	0.6
211.03935	4.4
212.04790	0.8
213.05533	2.0
227.03452	42.7
228.03816	3.1
229.05011	12.7
239.03426	2.5
240.04205	1.1
241.05083	2.4
243.02858	0.5
247.39743	0.6
255.02972	67.2
256.03488	8.1
257.04507	8.7
258.04861	0.6
267.02884	1.4
283.02563	0.9
284.03262	60.7
285.04022	93.6
286.04391	7.4
327.05350	0.6
329.93219	0.7
593.15118	100.0
594.15430	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57988	0.9
57.03302	1.1
59.01252	13.6
60.99178	16.1
61.98703	20.4
71.01254	4.3
71.54311	1.0
74.98976	1.4
78.95782	1.2
83.01250	1.2
85.02858	2.0
87.00731	1.5
88.98678	100.0
89.02317	2.3
89.12006	0.9
89.99014	1.4
93.03335	2.2
94.44389	0.9
96.95906	6.6
99.00730	1.1
101.02310	3.1
104.36076	1.0
113.02343	1.9
120.99553	1.2
121.02851	1.7
124.69945	1.1
135.04384	1.0
136.99054	1.8
137.02341	1.9
142.75784	1.0
173.04437	1.3
191.05507	1.6
229.95392	1.0
285.07672	4.4
299.01755	2.3
351.27197	1.0
371.24234	2.7
399.23615	1.5
417.25009	2.6
459.25937	1.1
507.14429	1.6
538.66272	1.3
581.21075	1.2
593.17810	1.7
593.28784	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
50.40234	0.6
51.18143	0.6
59.01250	1.2
61.98704	7.9
63.96102	1.2
70.02853	2.0
70.33518	0.7
71.01260	5.9
73.02822	1.9
78.08452	0.7
78.95764	1.1
78.98450	5.2
79.95609	34.1
80.96392	57.4
83.01315	0.7
85.02814	2.0
87.00746	3.2
94.97961	14.2
96.95908	1.4
96.96885	0.7
97.02840	0.9
98.20280	1.4
101.02316	2.1
104.89091	0.7
106.97954	3.0
122.97472	5.0
125.02336	2.3
127.03925	0.9
134.97450	3.4
136.99036	1.7
143.03471	0.7
145.21085	0.7
148.99054	4.4
152.98552	5.7
155.00066	0.9
164.98521	7.7
175.73798	0.7
182.99638	2.1
189.08646	0.7
206.60019	0.7
206.99655	3.4
225.00719	16.6
241.00102	1.1
243.01714	1.9
293.21124	0.8
299.04434	3.1
315.03711	0.8
357.20471	1.1
371.06461	0.9
385.08206	1.1
386.01978	0.8
399.09732	1.3
413.11206	1.1
427.12958	0.9
433.92783	0.8
455.15958	2.5
495.18872	2.5
523.18427	1.5
593.26343	100.0
594.26709	18.5
624.34393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30561	0.6
56.30301	0.6
59.01253	1.0
59.78652	0.6
67.68645	0.5
69.82986	2.8
78.95779	64.3
96.96843	12.2
98.20531	0.8
124.81441	0.6
125.11198	0.5
150.97923	1.0
152.99495	100.0
153.99872	1.3
171.00594	2.5
175.70564	0.6
184.48610	0.6
223.00101	11.9
241.01158	23.1
241.03593	1.2
242.01527	1.0
259.02240	1.7
259.20877	0.7
277.21741	42.7
277.83429	0.6
278.19257	0.7
278.22055	3.7
315.04874	15.6
333.06027	0.8
368.97702	0.6
593.27338	79.7
594.27686	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25621	0.5
78.95777	67.4
89.11002	0.7
96.96840	13.8
120.49213	0.6
121.02864	0.8
150.97881	0.6
152.99490	100.0
153.32051	0.6
153.70892	0.7
153.99835	2.1
171.00595	2.5
196.30670	0.6
223.00085	9.7
231.03355	0.7
241.01154	24.1
242.01501	1.1
259.02203	1.5
261.20923	0.7
277.21719	49.4
278.22012	5.1
315.04877	19.7
333.05829	1.0
341.90466	0.6
593.27307	91.4
594.27698	15.9
596.15259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1304
Annotation	Peltatoside
Peak:m/z	Relative Intensity
69.41329	3.4
70.42693	0.5
97.09543	0.7
101.58528	0.5
103.20316	0.6
107.01282	0.8
108.02054	1.0
122.33231	0.5
135.00781	1.0
143.35165	0.6
148.01569	1.5
150.52594	0.5
151.00258	4.7
164.01089	0.8
164.04170	0.5
178.99739	2.8
199.03931	0.8
215.03337	0.6
216.04294	0.6
226.02597	1.1
227.03406	1.6
243.02957	7.6
244.03578	0.8
254.02190	1.4
255.02982	20.2
256.03375	2.1
271.02472	40.0
272.02805	4.6
273.03915	0.6
299.01913	2.2
300.02744	100.0
301.03320	17.0
302.03870	1.5
505.63718	0.6
595.13031	75.3
596.13458	10.3
610.16650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1668
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.10467	1.1
53.58987	1.4
68.99698	2.4
69.34931	2.1
69.35264	10.3
71.01247	2.3
79.01761	2.1
83.01276	5.5
85.02782	1.4
87.47407	1.7
93.03357	9.5
95.01264	3.0
95.04911	1.8
97.02819	4.6
107.01261	10.6
107.04901	2.2
108.31216	1.2
109.02813	5.1
111.00727	1.5
111.04370	3.8
113.02333	2.3
113.51998	1.4
117.03343	1.8
119.04920	52.0
120.05254	3.4
121.02853	5.2
123.00739	1.6
123.04439	3.1
125.02358	12.0
130.04222	1.7
133.02831	3.0
135.04411	4.9
137.02324	7.9
139.03935	7.9
143.04909	8.4
145.02870	9.9
147.04399	4.0
149.02325	4.9
150.03075	2.7
151.00354	6.5
151.03899	2.0
161.02324	2.2
161.05980	3.4
163.00302	4.5
163.03906	3.4
164.01039	2.7
165.01869	7.8
167.03386	13.6
175.03931	1.9
177.01831	5.7
177.05412	1.9
178.02588	1.6
179.03423	5.3
187.03955	7.8
189.05620	1.9
191.03438	4.1
191.05518	1.5
193.01370	10.9
193.05043	2.3
197.04456	4.4
199.07574	3.0
205.01360	12.9
206.02071	1.5
207.02872	5.7
209.04485	5.8
219.02933	4.3
221.04425	2.3
223.02493	1.9
227.07166	1.8
235.02431	15.8
239.05432	1.9
241.08769	2.6
249.04034	2.7
261.04007	3.1
265.03513	5.0
267.06668	1.7
269.23248	1.5
271.06149	4.9
283.06183	3.8
283.09671	1.8
295.04773	1.6
300.02725	1.8
313.07190	22.0
325.07129	8.8
343.08212	8.2
355.08224	100.0
356.08575	13.2
367.08200	6.2
369.09616	1.9
385.09277	82.3
386.09607	11.7
397.09378	6.3
399.11002	1.5
415.10355	23.5
416.10577	3.7
427.10281	2.3
428.20770	1.5
457.11407	14.2
458.11697	2.3
475.12515	45.7
476.12973	6.8
487.12424	7.1
505.13638	13.4
506.14114	2.2
551.35248	1.9
559.15369	1.9
577.15692	5.7
578.16180	1.8
595.16736	98.8
596.17035	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.26625	0.6
54.48816	0.8
57.97602	0.7
70.30753	2.7
72.13707	0.7
78.95778	72.7
87.00769	0.8
96.96844	12.5
98.90443	0.7
124.87000	0.8
150.97945	1.4
152.99492	100.0
153.99773	1.2
168.76070	0.8
171.00568	2.4
179.99809	0.8
190.37036	0.7
209.11526	0.7
223.00069	10.9
241.01166	25.6
259.02081	1.0
279.23288	59.1
280.23608	7.9
310.45453	0.7
315.04886	17.0
333.05911	1.5
442.19254	0.8
455.12674	0.7
595.28882	90.1
596.08923	0.9
596.29126	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	595.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59937	1.8
59.01256	18.5
61.98705	81.9
67.33193	1.5
67.39941	1.6
69.25262	4.6
69.25685	9.7
70.20767	1.6
71.01270	3.8
78.95776	1.9
83.01280	1.6
85.02822	3.0
87.00739	4.2
89.02341	3.0
93.03338	2.4
96.95896	13.5
97.06457	1.8
98.20577	2.8
101.02302	2.9
108.02050	1.9
113.02269	2.2
119.45309	1.6
149.05975	15.0
151.00244	4.8
171.10257	3.8
178.99800	4.9
179.10715	4.4
191.05582	3.7
197.63533	1.7
209.08131	36.3
210.08501	2.7
243.02975	12.6
254.02264	3.0
255.02972	21.2
271.02481	54.5
272.02853	9.2
273.03799	1.9
296.14392	1.7
299.01892	2.4
300.02762	100.0
301.03326	16.4
355.24722	2.1
373.25925	58.2
374.26312	6.1
435.33655	1.6
533.10571	2.3
595.13031	57.6
596.13287	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40417	0.4
51.06353	0.4
57.03329	1.0
59.01249	1.6
61.98710	0.6
68.99692	1.6
69.03339	1.2
69.33292	1.5
69.33695	2.1
71.01260	2.4
73.02828	1.0
74.05103	0.5
75.00742	3.4
78.51039	0.5
81.03335	9.4
83.01247	6.2
83.04913	0.8
85.02822	1.4
93.03337	5.9
93.43794	0.4
95.01271	2.3
95.04903	5.1
97.02830	5.0
99.00774	0.9
99.04392	3.0
107.01250	0.7
107.04920	1.8
108.02075	0.7
109.02834	3.6
109.06472	0.8
111.00806	0.9
111.04406	2.8
113.02340	1.7
115.00223	0.6
118.94950	0.5
119.04913	9.5
120.99564	0.8
121.02833	3.3
121.06504	1.3
122.03629	0.8
123.00784	1.3
123.04420	16.8
125.02336	11.0
125.05901	0.5
131.04953	0.8
132.61731	0.4
133.01263	0.7
133.06439	0.8
135.04420	4.7
137.02356	5.5
137.05998	6.7
139.03926	10.5
141.05479	0.8
144.74144	0.5
145.06458	0.7
147.04451	3.4
149.02338	1.8
149.05980	2.0
150.03207	0.9
151.03897	3.3
151.07547	0.5
153.05492	1.2
155.03424	1.2
161.02391	0.8
161.06017	2.1
163.03905	3.7
163.07549	1.4
165.01817	2.6
165.05482	7.5
166.02652	1.4
166.05890	0.5
167.03415	30.1
168.03798	0.8
175.03920	0.7
177.01967	0.5
177.05560	2.4
179.03430	8.3
179.07042	1.5
180.04163	0.7
181.04997	3.4
189.05481	9.3
191.03464	3.0
191.05206	0.7
191.07100	1.3
192.04048	0.5
193.04970	4.1
197.04521	5.5
198.99948	0.5
205.01514	0.5
205.05083	1.2
206.02277	1.0
207.02798	0.6
207.06621	1.6
209.04500	30.6
210.04846	1.4
214.03482	0.5
217.05241	0.6
219.02963	1.7
219.06580	1.1
221.04520	5.4
223.06027	2.3
229.08733	1.4
231.06590	0.6
233.04504	1.6
235.06126	1.2
237.07701	0.6
239.05588	12.3
240.05762	0.6
247.09619	0.5
249.03859	0.6
251.05576	6.3
263.05603	2.3
269.06631	2.5
271.02496	0.8
273.07663	4.7
274.08023	0.7
275.05582	0.7
281.06656	1.4
285.07761	2.3
301.03186	0.8
302.03497	0.7
313.10703	0.5
315.08743	18.5
316.09000	1.7
327.08704	8.9
328.09094	1.0
339.08600	0.7
341.10287	1.6
345.09735	8.1
346.10260	0.7
357.09793	100.0
358.10168	10.4
369.09756	4.5
385.09448	0.7
387.10858	74.2
388.11172	8.9
390.11194	0.5
399.10791	3.4
411.10873	0.6
417.11917	22.3
418.12369	2.9
429.12030	1.3
430.12192	0.5
441.11923	1.5
459.12943	8.9
460.13388	1.1
471.12939	1.3
477.14011	17.0
478.14575	2.4
489.14075	6.3
490.14246	1.2
507.15076	2.3
579.17334	1.6
597.18756	7.4
598.18628	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	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20936	0.5
57.03324	1.7
59.01262	1.0
61.02129	0.4
63.49982	0.5
67.01782	0.5
68.99694	1.4
69.03336	1.2
69.84856	2.5
71.01266	0.9
72.91333	0.4
73.02818	0.6
81.03332	10.5
83.01247	4.1
83.04892	0.4
85.02821	0.6
93.03348	5.2
95.01252	2.2
95.04906	8.6
96.95905	0.6
97.02815	4.7
98.19817	0.8
99.04392	5.3
104.60934	0.4
105.03333	0.7
107.04894	1.2
109.02831	1.2
111.04404	1.4
113.02325	1.0
119.04913	7.0
121.02837	1.1
121.06532	0.6
123.04414	14.6
124.04771	0.7
125.02336	27.7
126.02673	1.0
131.57521	0.5
135.04407	2.3
137.02336	4.7
137.05978	11.2
138.03154	0.6
139.03906	3.5
141.05434	0.8
147.04422	1.4
149.02344	2.2
149.05995	1.4
151.00320	1.1
151.03911	1.8
153.01843	0.5
153.05507	0.7
155.03423	1.7
163.00285	0.7
163.03926	1.9
163.07608	0.5
165.01854	1.4
165.05507	8.9
166.02638	2.5
167.03416	60.1
168.03758	2.6
175.03952	0.7
177.05510	1.4
179.03421	11.1
180.04105	0.9
181.04964	2.8
189.01880	0.7
189.05513	4.2
191.03435	3.2
191.05498	1.8
193.04991	2.1
197.04500	8.9
203.03447	1.3
205.05011	1.4
207.03096	0.6
209.04497	21.1
210.04840	1.0
210.51234	0.6
219.02788	0.6
221.04517	4.4
229.08539	0.8
231.06633	1.1
233.04486	2.0
239.05553	2.8
251.05583	0.8
271.09680	0.8
273.07678	10.4
274.08096	0.8
285.07617	3.1
286.08252	0.8
287.09299	0.6
297.07666	0.7
313.07199	0.6
315.08746	100.0
316.09085	8.7
327.08868	2.5
329.09195	0.9
339.08774	2.1
345.09802	28.0
346.10120	2.8
357.09796	1.7
359.09863	0.8
369.09811	1.0
387.10861	1.1
399.10983	0.5
417.11746	1.1
435.12787	0.6
477.14026	59.1
478.14352	7.9
507.15085	25.2
508.15677	3.0
519.15173	1.6
549.16199	0.6
561.16144	1.0
579.17065	2.1
597.18494	2.5
599.38538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.9
61.98694	6.4
64.99332	0.6
71.01250	1.7
71.54922	0.7
72.99162	1.1
75.00748	29.3
81.03332	13.0
83.04899	43.3
84.05239	1.5
89.02312	1.4
93.03319	1.4
94.10120	0.6
96.95903	1.1
100.07565	5.9
101.02345	0.8
108.04484	0.8
123.46121	0.9
124.59083	0.7
129.77611	0.8
163.03912	0.8
173.04462	1.6
191.05533	1.4
199.18060	8.0
225.16022	9.7
225.18106	1.2
243.17113	18.3
244.17403	1.8
269.14987	1.6
300.02774	0.8
301.03287	1.1
309.21881	1.7
353.20792	6.5
370.99442	0.7
388.45428	0.8
451.32733	2.7
469.33994	12.9
470.34052	1.9
579.37720	2.4
597.13770	2.5
597.38696	100.0
598.38910	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32916	0.1
61.98705	100.0
63.99141	0.2
67.09206	0.1
69.41793	0.3
69.42220	0.6
74.35899	0.1
78.10625	0.1
96.95905	0.4
111.95125	0.1
121.33937	0.1
185.05325	0.1
266.22958	0.1
373.25925	0.2
476.30402	0.1
599.28259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98708	26.9
69.20504	29.2
69.20930	63.9
70.69054	9.3
71.01250	68.7
72.99191	16.4
89.02315	68.4
96.95903	15.4
98.19753	22.0
101.02332	37.1
103.08730	9.1
113.02325	23.2
118.02242	10.4
119.03396	40.2
143.03384	16.4
153.81328	9.8
162.03108	24.1
177.05453	15.6
179.05531	33.7
236.79933	9.6
237.20694	10.9
257.03430	13.7
287.02045	13.0
301.03113	13.9
302.03342	26.5
304.03885	13.0
425.29907	11.0
465.96829	10.2
599.13940	49.9
603.66357	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	599.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83865	0.3
58.56237	0.3
59.01238	1.0
61.98692	1.4
71.01272	0.3
71.07624	0.5
71.07961	0.3
79.95611	2.7
80.96401	0.3
81.51015	0.3
92.86577	0.4
94.97965	0.9
95.95087	0.3
96.95891	100.0
97.95813	0.5
138.97008	0.6
155.48494	0.3
165.97397	0.3
171.10118	1.4
185.11761	0.5
209.11803	1.0
249.91743	0.3
259.01270	3.4
309.24463	0.8
327.25424	4.4
328.25787	0.4
332.12067	0.3
339.25412	1.7
344.07196	0.3
357.22989	0.3
357.26431	17.1
358.26819	1.9
407.21231	2.7
437.22150	30.5
438.22580	3.2
479.23114	0.6
502.94299	0.3
558.12616	0.3
599.27423	62.8
600.27716	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	599.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42105	0.2
58.14349	0.3
59.01252	100.0
60.01589	1.0
69.45008	0.2
71.54356	0.3
82.98569	0.3
86.86066	0.3
124.35417	0.3
148.84334	0.2
157.44052	0.3
174.50597	0.3
183.71259	0.3
210.18680	0.2
248.98918	0.3
274.61560	0.3
304.29172	0.3
343.59076	0.3
390.31305	0.3
501.31906	0.3
539.30566	0.3
586.78290	0.3
589.90674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00356	0.5
51.66083	0.5
58.05554	0.4
59.01255	1.7
61.98705	100.0
71.01281	0.9
79.95612	1.0
96.95895	16.5
97.95852	0.6
98.95476	1.1
101.02374	0.5
107.51492	0.5
125.02289	1.0
125.77829	0.5
135.04375	0.7
171.10182	3.8
179.10786	0.7
191.05588	1.8
209.11760	2.4
210.12202	0.7
215.09094	0.5
243.06607	0.8
267.83124	0.5
350.36877	0.5
391.17514	2.5
520.32245	1.4
599.27594	1.9
600.27301	8.5
601.28662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94334	0.1
53.95612	0.1
59.01241	0.2
61.98709	100.0
62.98404	0.3
70.94074	0.3
75.82929	0.1
96.95923	0.3
113.42148	0.1
132.94066	0.1
165.05504	0.1
191.05585	0.2
319.19016	0.2
341.30521	0.2
375.27649	0.2
439.53421	0.1
600.27899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39789	0.5
55.49327	0.5
69.77221	1.6
69.77632	0.9
78.95778	53.0
92.14682	0.6
94.33270	0.5
96.95917	21.8
96.96843	100.0
98.19802	0.6
106.43033	0.7
110.68511	0.5
113.82234	0.6
199.63678	0.5
259.02261	1.3
503.15976	1.1
601.14124	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	601.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87621	0.3
62.96281	0.3
70.22990	0.6
70.23381	0.5
71.01256	0.5
78.95779	60.1
93.03352	0.3
96.95937	11.8
96.96844	100.0
136.76634	0.3
138.97932	0.3
259.02267	2.2
372.18478	0.3
394.30768	0.3
419.75369	0.3
439.08301	0.4
503.16202	0.5
505.02863	0.3
601.13782	3.0
602.13861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
61.98704	1.9
69.46282	1.6
71.01251	0.7
73.02825	0.3
78.95791	0.8
79.95604	2.7
85.02834	0.4
86.04833	0.3
86.05405	0.2
86.83219	0.2
89.02318	0.6
90.93762	0.2
96.95892	100.0
98.95483	1.3
98.96344	0.2
101.02319	0.5
113.02382	0.4
113.87808	0.3
125.02362	0.3
138.96989	0.6
191.05547	0.6
223.09753	0.3
231.73354	0.3
259.01300	2.6
313.23810	1.6
341.26840	1.6
357.26367	0.5
359.28024	17.5
360.28351	1.6
439.23691	25.0
440.24020	2.9
445.91870	0.3
459.25906	0.3
521.33179	1.5
572.06207	0.3
601.28961	62.3
602.29254	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	601.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95755	0.3
59.01252	100.0
60.01590	0.8
61.98717	0.3
65.08425	0.3
66.86240	0.3
75.98690	0.3
77.64436	0.3
78.10813	0.3
78.95798	0.4
96.38123	0.3
98.19780	1.1
115.91980	0.8
150.32524	0.4
166.38388	0.3
225.12317	0.3
391.90411	0.3
499.30743	1.0
541.31812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15646	0.6
59.01254	1.5
61.98715	1.3
68.39577	0.5
69.51163	2.9
71.01227	0.8
78.30898	0.6
93.03350	4.2
94.55833	0.7
96.95908	2.1
109.02867	1.3
119.01250	1.3
119.04905	1.3
121.02850	19.4
121.03674	1.3
122.03651	12.7
124.01534	0.6
133.02847	2.4
133.82761	0.7
134.03607	1.2
135.04428	2.1
136.01563	2.1
137.02325	3.9
138.03050	0.6
145.02827	1.1
147.00801	0.8
149.02347	37.5
149.06006	1.7
150.03137	86.9
151.03474	3.8
153.05487	0.9
156.11273	0.7
163.03914	1.7
164.01086	0.9
164.04713	10.4
165.01862	14.4
165.05489	100.0
166.06267	65.5
167.06749	4.7
177.01875	1.2
177.05438	1.7
179.03441	10.5
179.07002	1.7
180.04193	15.0
181.05017	1.7
181.08623	36.9
182.08955	1.4
191.03574	0.7
191.05553	1.9
194.05789	3.5
195.06564	93.6
196.06866	4.9
205.04918	1.7
207.06590	0.6
210.05260	0.8
225.07619	8.2
249.21442	0.7
285.07806	0.9
297.07660	0.8
299.09213	1.9
301.10773	1.8
328.09686	1.0
329.10294	12.5
330.10605	1.5
343.11819	5.1
344.12589	10.6
345.13132	1.3
359.15030	40.2
360.15366	4.6
373.12900	44.9
374.13251	4.2
403.14044	1.0
407.17053	3.2
421.15002	9.8
422.15274	0.7
447.09586	1.1
461.98700	0.7
470.27008	0.8
471.12836	0.9
555.22388	15.7
556.22852	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01407	0.5
59.01249	1.4
61.98699	1.9
65.11874	0.5
66.31753	0.5
69.47092	1.0
69.47509	2.4
71.01244	0.8
74.74463	0.6
93.03323	4.2
96.95881	3.0
98.20525	1.1
109.02858	1.0
115.80897	0.6
117.03429	0.7
119.01228	0.6
119.04920	2.2
121.02859	7.8
122.03632	12.6
122.06002	0.6
123.00755	0.8
125.02299	1.2
133.02843	1.4
134.03641	0.8
135.04413	1.3
136.01552	1.8
137.02327	2.7
145.02878	1.6
147.00735	1.3
149.02351	25.0
150.03134	83.7
151.03433	3.6
153.05412	0.9
163.03868	1.6
164.04704	5.7
165.01857	8.7
165.05479	100.0
166.06239	15.4
167.06773	1.0
179.03419	6.1
180.04189	11.5
181.05008	8.2
181.08617	8.8
182.05614	1.0
191.05496	1.7
194.05746	1.7
195.06563	90.2
196.07066	8.0
197.08003	1.2
210.05183	0.9
211.09653	5.7
212.47572	0.6
225.07664	5.0
285.07703	1.0
313.10880	1.0
329.10272	8.5
330.10699	0.8
343.11847	8.0
344.08673	0.7
344.12628	8.4
345.12781	0.6
359.15002	31.2
360.15329	3.6
373.12894	1.8
378.13120	0.6
391.13748	1.2
407.17065	2.6
421.14633	0.8
524.20251	1.5
555.22296	7.0
556.22858	1.3
603.16895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51129	2.2
55.91566	1.9
59.01250	6.3
60.99181	10.0
66.40231	2.0
71.54046	3.2
71.93926	2.0
80.02295	2.3
87.00748	3.0
88.00289	10.7
88.98682	59.4
89.02321	100.0
91.33141	1.9
96.95880	7.0
97.24348	2.6
107.00075	2.5
212.08861	2.3
230.77939	2.3
277.21967	2.4
341.10815	2.6
481.82562	2.4
594.96759	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	604.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.2
69.03316	2.6
70.02850	3.4
71.01271	5.7
71.19207	2.3
71.53596	3.7
72.81651	2.1
74.09230	2.1
78.95790	8.0
85.02826	49.1
87.04379	5.3
88.51928	2.1
89.02303	2.9
93.03356	7.3
94.82642	2.1
96.04430	100.0
96.96878	16.1
97.02850	7.2
98.95429	2.9
98.97311	2.7
99.00770	4.1
112.03995	4.0
115.03884	3.2
116.57493	2.4
128.03426	6.1
129.01842	9.7
135.04478	2.6
137.02344	3.9
140.03473	4.9
141.01810	4.0
142.01324	15.1
158.04512	38.2
162.01505	2.4
169.86307	2.2
177.27969	2.6
179.03577	2.4
191.05519	20.1
202.03514	18.8
219.05009	4.7
246.68793	2.4
248.15414	2.6
249.01671	2.6
260.72519	2.5
262.05676	56.0
263.05798	3.0
286.25958	2.5
322.34720	2.3
353.08810	18.9
431.12079	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2413
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.57589	0.3
89.15451	0.3
96.41422	0.3
131.59251	0.3
162.05556	0.3
173.63547	0.4
339.73312	0.3
342.03735	0.3
394.11707	0.4
395.12585	0.4
415.15768	0.9
416.16412	0.7
427.19467	0.4
429.17282	0.9
430.18057	1.3
443.19348	0.7
444.19250	0.7
457.20920	2.0
458.20993	0.9
459.17859	3.3
460.18506	0.5
461.23691	0.9
470.20816	1.2
471.18167	1.9
472.18961	0.9
473.19843	5.7
474.20166	1.4
475.21695	0.6
485.18427	1.4
485.23831	1.2
486.20837	3.3
487.21567	1.6
496.19180	1.2
499.17825	2.8
501.22757	2.8
502.20148	0.5
511.21439	2.8
512.21637	0.6
513.19366	2.6
514.20013	8.6
515.20557	1.4
517.19183	0.8
518.19818	1.9
528.21710	0.6
529.22516	100.0
530.22845	22.1
532.21307	1.4
533.21924	2.2
534.22314	0.5
546.22522	0.5
561.25250	0.8
573.21631	1.2
605.24133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29306	0.5
69.81620	2.5
114.62095	0.6
288.03812	0.6
357.31671	0.6
417.17163	0.6
429.17130	1.3
430.17813	1.7
443.19162	0.8
457.20346	1.6
459.17932	3.2
470.21286	0.6
471.18359	2.2
472.18942	0.7
473.19693	4.8
474.20175	1.4
485.19751	1.7
485.24225	1.2
486.20544	4.4
487.20874	1.3
496.19193	1.5
499.17435	2.9
500.18268	1.5
501.23978	3.1
502.21603	0.6
511.21426	2.1
513.19159	3.1
514.20135	8.4
515.20355	2.4
518.19220	1.4
528.21606	0.7
529.22485	100.0
530.22815	20.9
532.21222	1.7
533.22064	2.3
561.24878	1.0
573.21838	1.3
599.77246	0.6
605.24396	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	607.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18797	11.6
57.18394	13.3
59.01253	88.8
61.98697	54.7
67.40368	11.5
69.34409	100.0
71.01257	48.2
72.68761	12.1
73.02810	17.9
75.77499	13.2
89.02304	18.5
94.54441	13.9
96.95871	43.3
101.02395	17.5
125.02403	15.4
137.02469	13.0
156.66351	12.0
161.02200	16.3
177.01839	21.3
185.23335	13.1
199.43428	13.3
210.78705	13.3
316.37531	16.9
395.62076	16.0
404.68491	13.4
427.51257	14.7
462.07275	14.5
473.18106	33.6
485.18405	42.2
491.19308	34.6
503.19171	34.3
533.20239	85.9
545.20160	44.9
563.16388	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	11.4
59.01244	1.9
69.86974	8.4
81.03329	1.7
83.01274	1.8
83.32001	1.5
87.00755	2.2
93.03352	4.7
95.04948	1.8
96.95338	1.5
96.95865	7.7
97.02872	2.0
98.19884	2.9
105.01818	13.7
109.02834	9.7
111.04415	3.1
121.02845	4.8
123.00798	2.3
124.01531	2.2
125.02346	100.0
126.02678	4.6
133.02840	1.7
135.04422	2.5
137.02344	25.1
138.29250	1.5
139.03909	11.5
149.02374	8.0
151.03917	3.9
159.04489	1.8
161.02394	2.0
163.03981	2.8
164.01059	3.2
165.01845	11.3
167.03421	12.5
175.03969	6.7
177.01868	79.6
178.02255	2.3
179.03470	8.6
187.04076	3.3
191.05540	3.8
193.48157	1.5
199.03970	2.0
203.03427	2.9
204.04155	1.7
211.03941	2.6
219.06612	6.9
221.04532	4.1
227.03534	2.3
229.05040	5.3
243.02988	6.5
246.03806	1.6
255.02975	18.6
256.03625	6.4
257.04379	4.1
261.04120	4.3
267.07190	15.2
269.04553	3.4
273.04004	5.8
283.02560	10.4
285.03970	3.5
297.03882	7.6
303.05084	6.5
305.06680	76.0
305.10236	3.7
306.06982	6.1
315.04895	1.6
355.08319	2.4
423.07217	80.0
424.07593	11.7
441.08350	19.1
442.08456	3.8
483.09427	5.5
484.89203	2.2
511.14560	5.2
609.12762	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	609.1251
Annotation	Prodelphinidin B2
Peak:m/z	Relative Intensity
57.03313	10.9
69.98669	10.4
81.03315	4.4
93.03350	4.8
95.01203	3.4
96.95887	8.0
98.19836	2.5
109.02866	16.4
119.53849	3.3
121.02822	7.3
123.00770	6.0
125.01445	5.6
125.02337	100.0
126.02686	5.1
136.61319	2.3
137.02356	28.7
139.03900	14.6
149.02345	10.2
151.03873	6.6
164.01003	4.8
165.01846	16.3
167.03427	12.8
175.03865	8.0
177.01865	73.9
178.02280	3.9
179.03459	9.0
187.03972	4.8
203.03394	2.9
211.03827	4.5
215.03325	5.7
217.05162	2.6
219.06567	9.9
221.04469	4.7
233.14537	2.9
243.02951	9.5
255.02985	22.3
256.03699	3.8
261.03903	3.5
261.07837	3.5
283.02423	10.0
285.04178	3.4
288.02881	3.2
297.04059	5.3
303.04944	6.1
305.06650	42.6
306.07077	4.0
410.27072	2.8
423.07291	47.4
424.07355	5.1
425.68082	2.7
427.12936	3.2
441.08234	9.4
470.08740	3.3
609.12244	4.6
638.13837	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63474	0.7
56.46217	0.6
65.00185	1.7
69.45978	2.8
69.46384	1.5
75.08845	0.6
76.79990	0.6
107.01252	3.3
108.02062	1.1
109.02845	1.6
121.02832	2.2
135.00777	1.0
141.01387	0.6
143.45442	0.8
148.01569	1.3
151.00273	12.9
163.00262	2.9
164.01074	0.7
178.99777	6.4
192.00487	0.7
199.03850	1.4
211.03812	1.1
226.02553	1.2
227.03491	3.0
228.04041	0.7
229.04991	0.8
243.02950	10.8
244.03268	0.8
254.02231	2.1
255.02962	28.1
256.03363	2.3
271.02481	64.2
272.02921	6.6
273.03906	1.8
278.08072	0.7
283.02435	1.0
299.01959	1.5
300.02740	100.0
301.03439	35.5
302.03940	2.5
317.94678	0.7
609.14624	52.1
610.14960	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	609.1463
Annotation	Cyanin
Peak:m/z	Relative Intensity
59.01245	3.3
61.98704	34.5
65.00204	1.5
69.34561	5.9
85.02848	1.2
87.00758	2.0
95.01307	1.0
96.95894	1.3
105.22694	0.9
107.01266	4.0
108.02079	0.9
109.22432	0.8
121.02840	1.0
134.90346	0.9
135.00726	1.4
148.01590	1.6
151.00285	7.2
152.01018	1.1
163.00296	2.4
171.04436	1.6
175.03914	1.1
178.99779	3.2
183.04405	1.1
187.03957	1.1
191.05603	1.1
199.03911	3.5
202.32680	1.1
206.53149	1.0
210.27895	0.9
211.03963	1.2
215.03453	2.6
226.02711	1.9
227.03432	7.2
239.03566	1.0
242.02135	1.9
243.02982	17.9
244.03400	1.9
254.02171	1.5
255.02969	22.3
255.05490	1.8
256.03400	2.8
257.04547	2.3
264.28806	1.1
270.01706	1.6
271.02472	88.1
272.02927	8.8
283.02493	3.3
284.03036	1.5
285.03998	3.9
286.04547	1.4
299.01968	63.2
300.02725	87.6
301.03372	18.0
302.04095	1.0
314.04309	19.2
315.05078	38.3
316.05460	3.2
339.47128	0.9
357.06299	1.0
609.14630	100.0
610.14832	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	611.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02234	0.7
63.39425	0.6
65.00198	2.0
67.01790	0.7
71.01234	0.6
78.01343	0.6
82.45107	0.6
83.01263	1.1
95.01270	2.1
107.01275	2.2
109.02856	2.0
109.99974	7.2
111.00812	4.2
116.83324	0.7
121.02910	0.7
123.00767	3.6
124.01550	2.7
124.98687	0.9
125.02303	1.7
133.02724	0.7
136.01605	0.9
136.03595	0.7
136.98665	2.2
137.02345	1.3
137.99490	2.4
139.00302	6.9
146.03645	1.2
148.01547	1.7
148.77899	0.6
149.02359	1.4
149.99503	0.6
151.00270	10.0
152.01086	5.7
155.04837	0.8
159.04420	1.7
161.02341	1.4
163.00285	1.9
164.01050	2.0
165.01839	0.7
165.99007	8.0
166.99835	3.4
168.72122	0.7
171.04474	1.2
174.03125	1.4
175.03864	1.1
176.01080	1.0
177.01947	1.1
178.99786	12.3
180.00380	0.7
183.04449	1.1
185.02400	1.0
186.03238	0.9
186.43047	0.7
187.03978	3.0
188.04688	0.6
189.01868	1.8
190.99823	0.7
191.05478	1.1
193.01405	0.8
193.98576	0.8
194.99300	1.4
198.03236	1.0
199.03932	3.6
201.01851	2.1
202.02531	0.7
203.03459	2.5
211.03931	1.0
214.02533	3.1
215.03423	4.0
216.04094	0.8
217.01399	1.0
219.02925	0.8
226.02754	1.7
227.03412	6.2
228.03801	0.6
229.01401	0.9
231.02898	3.8
232.03679	0.9
241.01393	1.5
242.02159	4.3
243.02956	9.2
244.03636	2.2
255.02969	5.9
259.02493	4.6
260.03110	1.4
270.01706	7.3
271.02472	41.5
272.03024	6.4
273.04129	2.1
281.01031	0.8
287.01950	14.8
287.04947	1.1
288.02670	7.6
289.03348	1.3
298.01117	1.9
299.01959	43.7
300.02499	4.0
300.20874	0.8
301.03528	1.2
315.01535	4.2
316.02216	100.0
317.02838	25.0
318.03268	1.6
461.07306	1.2
475.10767	0.7
593.11487	1.9
611.12500	80.0
612.12842	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	611.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00179	0.5
69.23817	1.3
69.24239	1.7
83.01242	0.5
84.06921	0.4
87.20208	0.4
93.03368	0.5
98.20506	0.7
107.01261	1.2
124.01562	2.3
125.02340	0.3
135.00810	0.5
135.04395	0.5
136.01563	0.4
137.02344	1.3
151.00284	5.6
152.01060	0.7
163.00267	1.3
164.01071	1.3
173.04478	0.4
178.99785	6.6
180.01904	0.3
187.03880	0.6
191.05548	2.6
192.00470	0.3
193.70374	0.3
203.03476	0.9
204.04160	0.8
214.02650	5.8
215.03358	0.8
227.03494	0.6
241.01476	0.3
242.02145	5.4
243.02885	2.8
244.03583	0.8
259.02463	6.3
260.02805	0.5
270.01675	6.7
271.02463	36.8
272.02914	2.7
287.01974	20.8
288.02502	3.5
289.03192	0.4
299.02200	0.4
315.01508	1.9
316.02216	100.0
317.02719	13.9
343.69781	0.4
611.12506	50.8
612.12891	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	612.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15564	0.2
59.01250	0.4
59.31100	0.2
61.71255	0.2
61.98704	100.0
67.96620	0.2
71.54331	0.3
80.29691	0.2
89.02321	0.3
91.81027	0.2
94.93488	0.2
96.95897	2.3
106.77477	0.2
120.12888	0.2
135.04462	0.4
150.03012	0.2
158.59097	0.2
159.04501	0.2
177.01878	0.2
179.03459	0.5
181.12228	0.2
191.05544	0.9
195.06638	0.2
220.09999	0.2
224.04555	0.2
225.11209	1.0
300.02731	0.2
353.08734	0.8
387.16876	0.4
465.08044	0.2
612.14691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3179
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
61.98703	1.0
71.54518	0.8
75.05286	0.7
116.44390	0.8
121.02847	100.0
122.03184	2.7
128.03427	0.7
129.03929	0.8
132.01753	0.8
143.04543	0.8
171.10065	0.8
180.05721	2.1
181.06540	8.1
182.06804	0.9
209.11829	1.4
214.18604	0.9
225.05603	6.8
239.11996	0.8
277.21701	0.8
313.07205	15.7
327.92813	0.8
357.06110	8.9
388.25858	0.7
425.35028	0.9
465.56906	0.7
584.45398	0.8
612.31757	49.7
613.32196	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	613.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.4
61.98708	8.9
71.01242	1.2
71.09576	1.2
72.99176	1.0
75.00748	21.9
78.95797	1.0
79.95602	4.7
80.96400	1.8
85.02830	0.9
88.98687	2.6
89.02322	1.0
93.03347	1.3
95.04966	0.8
96.95894	26.0
108.02039	1.5
109.02842	28.9
109.03587	1.6
121.02854	2.2
121.43427	0.8
123.04415	13.5
125.02348	1.9
133.02847	0.9
134.03732	0.9
135.04445	2.4
135.45067	0.8
136.01523	0.7
137.02341	3.8
139.03893	1.8
144.03261	0.8
145.02855	1.0
150.03172	1.0
151.03931	12.0
161.02321	4.2
163.03992	1.2
165.01865	7.6
167.03375	0.9
169.02802	1.0
171.10234	1.1
177.01831	7.0
179.03436	2.6
180.04152	4.0
187.04070	1.2
189.01872	14.8
190.02599	1.5
191.03438	2.5
191.05559	2.5
195.06569	7.5
201.01892	1.1
202.02660	1.4
203.03473	2.4
210.05348	0.8
214.02727	1.5
215.03442	14.0
216.00696	1.8
216.03842	1.4
217.01366	11.7
217.04742	0.9
218.01907	1.8
219.02921	3.1
225.07631	3.8
229.01494	3.8
229.04916	1.1
231.02873	3.8
234.01669	1.3
239.03380	1.0
240.03973	0.8
241.01395	1.3
242.02211	7.4
243.02945	7.1
244.03387	1.0
245.04582	1.0
255.03117	1.5
265.04959	0.9
269.00964	8.0
274.01202	6.9
281.04712	1.4
284.03098	1.9
299.05527	0.9
307.05981	1.3
309.04056	6.0
310.04395	0.9
311.05594	0.8
323.05490	4.8
324.06091	1.1
337.03494	1.0
339.05060	1.5
341.06671	31.2
341.23618	1.3
342.07080	3.9
349.07294	1.3
351.05060	4.0
352.05881	1.9
367.08231	3.4
371.24417	5.0
375.27591	6.5
379.04553	5.5
381.06439	1.6
384.05069	1.1
387.14444	1.1
393.06161	33.6
394.06647	4.6
409.05518	0.9
451.10330	1.9
451.19833	4.7
461.08865	7.0
503.09857	100.0
504.10190	17.9
519.09406	1.2
530.03156	1.0
533.29712	2.7
556.55444	0.8
565.20618	3.7
613.13538	33.5
613.25385	25.8
614.13788	7.4
614.25342	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	613.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60191	0.8
59.01255	1.8
61.98704	7.9
71.01234	1.1
75.00741	3.8
78.95773	1.1
79.57573	1.0
79.95612	1.1
93.03344	1.0
94.91486	0.8
96.53670	1.0
96.95900	13.1
108.02080	1.8
109.02843	34.8
109.20818	0.9
110.03184	1.7
117.03365	2.2
121.02862	1.3
123.04417	17.1
133.02882	1.9
135.04395	2.3
145.02855	6.8
147.04376	1.8
150.03177	1.3
151.03937	11.4
159.04442	1.3
161.02362	4.2
163.03825	1.1
177.01859	7.6
187.03946	1.4
189.01875	14.9
190.02603	2.6
191.03424	3.0
191.05458	0.9
201.01807	1.3
202.02684	1.2
203.03465	4.2
214.02614	2.0
215.03477	12.4
216.00571	1.9
216.03925	1.2
217.01399	14.6
217.04942	1.3
218.01892	1.9
219.03029	5.9
229.01381	3.8
229.04958	1.3
231.02956	2.9
234.01678	3.6
239.03513	2.3
242.02155	8.1
243.03009	7.7
245.04628	1.1
246.01758	1.0
251.13077	1.4
255.02859	2.9
257.04523	2.2
269.00876	8.5
274.01126	9.1
284.03323	3.5
297.04224	1.2
299.05627	1.5
307.05975	1.5
309.04056	5.6
311.05301	1.2
323.05545	4.4
324.06323	1.5
335.78360	1.0
341.06680	37.0
342.07059	3.3
349.07083	1.1
351.05222	2.1
353.06754	1.1
367.08099	1.9
375.27570	1.3
379.04593	4.7
384.05121	1.6
393.06189	37.6
394.06372	5.3
451.10324	12.0
451.19354	1.1
452.10699	2.6
461.08804	4.0
503.09888	100.0
504.10272	18.4
613.13483	25.3
613.25098	5.8
614.13800	5.2
614.24792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30277	0.9
58.02840	2.9
59.01232	2.2
61.98379	1.5
61.98703	23.1
69.78121	2.0
69.78511	2.2
71.01242	1.0
73.03936	4.6
74.02338	1.1
78.95747	1.4
79.95602	1.0
82.02852	1.2
82.06483	1.8
84.04422	4.2
94.06465	1.0
96.95898	17.0
97.03948	2.4
98.02326	1.5
99.40345	0.9
102.05486	38.2
115.05026	15.4
115.08665	11.9
125.02324	1.2
128.03432	100.0
129.03780	2.5
129.10226	4.8
130.08629	19.2
131.09001	1.4
137.02312	1.6
137.07071	2.4
138.05536	1.8
139.08675	1.5
140.07106	5.5
146.03369	1.8
146.04504	30.9
150.03194	2.5
153.05344	2.2
153.10266	1.5
154.09775	11.8
155.11797	2.4
161.02299	1.3
161.49762	0.9
165.01810	4.4
165.05493	2.0
166.83531	1.2
171.14952	6.3
172.10794	7.3
179.03313	1.8
180.04036	1.0
183.14911	2.3
191.05711	1.1
195.06558	4.9
195.14894	1.1
196.10838	23.4
197.11218	1.6
197.12914	2.2
197.16508	1.3
199.18094	2.0
207.15044	2.0
208.13272	1.2
210.16153	1.4
211.14438	1.7
214.11920	12.6
215.13962	3.6
225.07602	2.2
225.16055	4.3
228.17213	1.7
242.18701	2.6
243.17079	2.4
273.07605	1.2
280.24033	2.4
284.23489	2.4
298.24902	5.5
299.09137	1.5
313.89938	1.1
328.22388	3.2
342.24103	1.1
355.27005	1.3
389.16086	2.0
427.29245	3.4
441.27225	36.4
442.27478	4.6
453.21573	3.9
467.29028	1.3
485.29776	8.8
486.30145	1.5
504.10715	1.3
526.32715	1.9
567.22186	3.4
570.31415	90.1
571.31714	16.7
596.33099	2.3
614.34045	70.9
615.25702	6.5
615.35132	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	615.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
61.98706	7.6
67.01767	0.9
68.96274	0.9
70.90448	0.8
78.91750	4.1
80.91537	1.4
88.98708	1.0
89.02298	1.2
93.03344	1.1
96.95895	7.1
98.19815	1.6
101.02350	1.1
104.83651	0.9
105.43440	0.9
109.02825	1.2
121.02803	1.1
123.04399	0.9
125.02363	2.4
136.01570	2.6
137.02347	21.5
139.03777	0.9
149.02336	3.4
150.03119	9.8
151.03818	3.6
163.03976	1.1
164.01035	3.6
165.01845	100.0
165.05487	10.8
166.02129	4.4
171.10089	1.5
179.03415	28.3
179.07004	1.2
180.04210	59.8
181.04604	3.7
191.05539	1.4
191.07056	1.5
194.05768	3.8
195.02834	2.5
195.06560	89.5
196.06889	4.4
210.05286	14.5
225.07637	76.3
226.07965	4.2
235.38860	0.9
283.09918	1.1
299.09253	2.0
314.07980	2.1
326.11475	1.6
327.12299	2.3
328.13025	4.9
329.10294	3.9
329.60388	1.0
330.10876	1.2
341.10461	5.0
341.13971	1.5
344.12631	6.2
345.13092	1.4
356.12589	3.2
359.15009	20.7
360.15234	1.5
371.14966	14.8
373.25604	1.7
375.14725	1.0
389.15906	5.1
522.67297	1.0
537.21600	7.5
538.21277	1.1
552.20447	1.5
567.22369	56.6
568.22742	9.1
615.25269	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2506
Annotation	7,7'-bis(dehydro-O-methylisopiline)
Peak:m/z	Relative Intensity
57.03332	0.8
59.01252	10.4
61.45715	0.6
69.88001	1.9
71.01256	14.2
72.99173	1.3
73.02821	6.3
78.95749	0.7
83.01264	1.6
84.76158	0.6
85.02822	6.1
87.00739	2.6
89.02322	7.0
95.01243	0.7
96.95911	3.2
96.96833	1.6
97.02820	1.0
99.00768	1.4
99.08045	14.6
101.02325	13.0
113.02324	5.4
115.03879	0.7
119.03381	3.0
125.02358	1.9
129.01982	0.7
130.91191	0.7
131.03394	2.7
132.57523	0.7
143.03392	2.9
143.10791	0.7
145.04962	1.1
145.08614	29.3
146.08922	0.8
146.60368	0.8
155.10663	0.8
159.02879	1.4
161.04485	7.2
179.05550	1.6
187.09741	0.7
191.05516	2.4
199.09818	1.0
205.07063	2.2
221.06613	3.5
247.08130	1.1
263.25104	0.6
287.20062	0.8
334.80362	0.7
367.12485	12.8
368.12784	0.9
546.24469	0.8
608.88684	0.7
615.25067	100.0
616.25311	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	615.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01247	1.1
61.98707	3.3
69.44961	1.4
69.45383	0.9
71.01256	0.6
72.11393	0.4
73.02828	0.8
79.95611	13.4
80.96394	7.1
81.03326	0.4
93.03348	0.4
95.95108	0.7
96.95893	89.8
98.20573	0.8
98.95451	0.6
109.02843	0.4
111.08051	0.4
113.02289	0.4
119.04925	0.4
123.04409	0.6
125.02308	0.9
125.09607	1.3
127.11173	0.5
129.07909	0.4
129.92737	0.4
135.04405	0.9
137.09595	0.7
153.09085	0.4
155.10643	0.6
165.05487	0.6
167.03378	1.2
171.10205	4.0
179.03444	0.5
189.23648	0.4
191.52405	0.4
194.88014	0.4
195.06522	0.5
208.32942	0.4
209.04283	0.4
234.87216	0.4
254.46394	0.4
273.07892	0.6
299.47147	0.4
313.65759	0.4
315.08734	2.8
341.10312	1.2
343.25232	0.5
345.09805	1.3
355.24725	1.3
371.24347	1.3
373.25931	29.9
374.26300	3.5
406.19482	0.4
453.21613	36.4
454.21909	5.5
495.12781	1.3
535.31458	3.0
581.66040	0.5
615.26892	100.0
616.27222	20.0
616.37476	0.7
626.82666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.8
61.98706	4.1
70.92503	0.5
71.01265	1.1
78.81264	0.5
78.95778	0.7
79.95612	3.9
89.02318	0.9
96.95895	100.0
97.95825	0.6
98.95463	2.6
101.02309	0.8
113.02267	0.6
127.38163	0.5
169.12291	0.6
173.04501	0.9
185.11855	0.6
191.05533	1.0
259.01270	2.4
277.43970	0.7
306.66687	0.5
329.23303	1.3
357.26541	2.3
373.25903	1.9
375.27515	24.5
376.27588	2.6
402.01913	0.6
455.23157	28.6
456.23373	3.3
537.32837	2.9
617.28448	76.9
618.28809	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	617.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.2
61.98700	0.7
71.01253	3.1
71.33535	0.4
72.99168	0.5
73.02831	0.7
80.02558	0.9
81.03345	0.8
83.01265	0.8
83.04897	3.6
84.02039	0.8
85.02827	1.2
87.00758	0.5
89.02324	2.2
92.00973	0.3
95.04906	0.4
96.95882	0.6
101.02316	2.9
109.06523	0.3
113.02367	1.5
119.03358	0.7
125.05977	0.4
125.09600	1.4
127.11168	1.9
127.59361	0.3
135.08054	0.4
136.77782	0.3
145.04980	0.4
153.09125	0.4
161.04482	0.8
163.11218	3.2
164.11542	0.3
165.12706	1.8
171.10185	100.0
172.10522	5.1
179.05470	0.3
181.12283	0.8
191.10661	0.9
197.11623	0.3
209.11775	90.4
210.12128	5.8
227.12851	12.1
227.15138	0.5
228.13130	0.7
231.34573	0.2
235.08205	2.9
253.09270	7.7
254.09575	0.3
318.44223	0.3
345.20728	0.4
407.19153	1.0
445.20709	0.8
463.21436	0.3
581.29572	0.5
617.34802	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	618.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.5
61.98709	100.0
62.98412	0.2
70.52529	0.7
79.95607	1.4
81.95163	0.2
86.80460	0.2
86.95702	0.3
89.02313	0.3
95.95104	0.6
96.95901	5.0
96.96889	0.2
98.20474	0.2
98.95552	0.4
110.97486	0.4
123.90190	0.3
136.99077	0.3
155.60689	0.2
167.00137	0.8
171.08072	0.2
195.06496	0.3
340.12112	0.3
376.28094	0.2
453.20920	0.2
617.27502	0.3
618.28186	1.3
619.18420	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28763	1.6
63.94182	1.5
70.44671	4.6
78.95770	6.2
79.85337	1.6
85.74182	1.7
90.90332	1.6
152.99478	3.1
178.40869	1.6
188.30481	1.8
213.51472	1.5
248.52792	1.5
255.23315	3.5
305.73953	1.9
401.14133	3.1
415.15552	2.1
416.16425	10.7
430.18118	4.0
431.18625	2.1
459.18268	91.5
460.18549	17.1
473.19861	14.2
474.20111	4.8
487.17392	1.7
504.18182	2.2
517.18365	1.8
518.11798	3.3
518.19562	50.2
518.27008	3.4
519.19769	7.5
532.20880	8.6
533.21948	100.0
534.22314	17.1
543.20636	1.9
587.23175	6.9
619.25653	80.9
619.35925	3.9
620.26105	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	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.32014	0.9
78.95762	2.0
89.06734	1.0
98.19773	2.0
109.32437	0.9
138.22678	1.0
143.90523	0.9
152.99487	1.6
196.41304	1.0
221.41402	0.9
251.22774	0.9
255.23274	2.9
401.14096	2.5
415.15628	3.6
416.16470	12.1
417.16858	2.5
429.17325	1.4
430.18021	2.8
431.18750	2.1
458.17630	1.4
459.18256	98.8
460.18600	19.5
473.19769	15.7
474.20541	7.1
487.17184	1.4
499.17279	1.3
501.19516	2.2
503.17361	2.6
504.17538	1.6
517.18616	1.5
518.19586	48.4
519.19781	9.6
532.21277	9.1
533.21912	100.0
534.22253	20.1
543.19849	1.3
587.22815	7.1
588.23486	1.9
619.25592	84.0
620.25946	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10022	0.4
55.01751	3.4
57.03327	2.9
58.00476	2.2
59.01252	100.0
60.01558	1.0
61.98708	2.5
62.92313	0.4
69.21366	0.9
69.21767	2.8
71.01255	53.0
72.01595	1.0
72.99174	3.8
73.02823	11.5
73.74638	0.4
75.00763	0.6
77.76122	0.4
78.95782	0.5
81.03342	0.6
81.46156	0.4
81.88541	0.4
83.01262	9.8
85.02822	22.7
86.03165	0.6
87.00749	4.2
87.04373	2.0
88.98657	0.5
89.02320	30.4
93.03355	1.9
95.01257	4.2
96.95883	3.3
96.96830	0.6
97.02811	2.4
99.00753	5.0
99.04441	0.5
99.48324	0.4
101.02323	43.0
101.05956	0.9
102.02672	0.9
111.00771	0.8
111.04430	0.7
113.02335	26.6
114.02689	0.6
119.03387	12.3
125.02334	5.1
131.03398	1.1
137.02303	0.7
139.00298	0.4
143.03389	4.9
149.04460	1.3
155.03387	1.0
159.01581	0.5
159.02892	1.4
161.04460	12.0
162.04901	0.7
171.10175	0.6
173.04416	2.6
176.99512	0.4
179.05556	6.2
194.38008	0.4
203.05484	0.7
243.12289	0.5
255.19719	1.7
360.87149	0.4
373.25894	0.9
393.67822	0.5
399.23816	9.9
400.24304	1.2
417.24933	23.2
418.25253	2.1
459.25940	8.7
460.26392	1.1
561.29193	9.8
562.29657	1.8
572.88086	0.4
577.32635	1.9
579.30194	94.9
580.30573	16.3
580.40027	0.6
621.31348	27.1
622.31738	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	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17089	0.8
55.01758	5.0
57.03327	6.2
58.00464	2.5
59.01253	100.0
60.01600	1.4
61.98698	4.2
67.01762	0.9
69.03331	6.3
69.44673	2.7
69.45097	3.1
71.01255	70.9
71.04887	1.2
72.99180	4.8
73.02824	14.7
75.00768	2.0
78.95770	1.0
81.03336	2.1
83.01263	12.6
85.02827	49.6
86.03188	1.6
87.00749	12.3
87.04393	25.7
88.98695	1.1
89.02320	38.5
93.03336	2.5
95.01255	6.6
96.95888	6.1
96.96823	1.4
97.02818	9.1
99.00759	5.3
99.04417	1.8
101.02328	51.4
111.00781	1.2
111.04428	1.5
113.02332	34.7
115.03899	2.4
116.92727	1.4
119.03383	15.5
123.00813	1.8
124.01549	10.2
125.02342	35.4
126.02740	1.1
126.37984	0.9
129.01862	1.1
131.03453	1.9
137.02246	0.8
143.02350	1.9
143.03412	23.2
143.04541	1.4
145.04967	2.6
149.04407	1.9
159.02916	3.9
161.04472	25.8
161.19421	0.9
167.10637	1.4
169.12279	2.0
171.10260	0.9
173.04469	4.0
179.05550	13.6
179.14326	1.9
183.13933	2.1
185.04544	1.2
185.15393	3.0
235.08218	25.1
255.19653	42.2
256.20056	3.4
258.35828	0.9
305.08725	1.6
325.20255	2.1
363.21725	9.2
381.22937	1.0
390.39319	0.9
399.23856	7.8
417.24930	22.0
418.25290	3.0
459.25885	5.8
561.29181	16.0
562.29291	4.0
579.30212	59.2
580.30347	10.4
621.32184	6.0
622.32318	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	623.1618
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.87029	0.4
52.61348	0.4
57.58785	0.3
62.14482	0.4
63.02276	0.5
64.82071	0.4
65.00212	1.1
69.98019	1.8
83.01269	0.8
100.50648	0.4
107.01275	1.5
108.02010	0.4
109.02776	0.5
141.03259	0.6
143.04904	0.7
145.02911	0.7
151.00279	6.6
155.04951	0.8
159.04449	0.8
171.04384	0.8
178.99765	1.0
183.04475	1.9
185.02348	0.4
187.03925	1.1
189.02022	0.6
199.03915	7.0
200.04362	0.6
201.01817	0.8
203.03296	0.7
204.04065	0.5
211.03992	1.0
215.03477	2.8
226.02660	0.7
227.03421	6.8
228.03932	1.0
242.02202	4.2
243.02953	32.4
244.03476	3.6
254.02237	0.5
255.02979	15.4
256.03424	1.0
257.04507	3.8
258.04736	0.4
259.06186	0.5
270.01703	5.2
271.02469	45.8
272.02954	5.8
285.04068	7.6
286.04584	3.4
287.05634	1.6
299.01959	60.8
300.02649	21.9
301.03195	1.3
313.03546	1.2
314.04312	46.8
315.05054	38.5
315.09006	0.6
316.05386	2.8
357.06122	1.3
358.95090	0.4
621.13782	0.6
623.16150	100.0
624.16614	17.3
624.27106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18068	3.2
56.86539	3.7
59.01252	4.1
59.72034	3.5
69.45325	21.7
70.72167	4.0
71.01286	5.8
75.00761	11.4
87.00755	7.0
105.01843	13.2
119.04928	30.8
133.45386	4.1
135.04442	7.8
149.04486	26.6
149.43037	3.4
163.03935	39.3
165.03981	100.0
191.05576	4.5
221.31946	3.6
243.02859	4.1
311.07669	29.9
439.50995	4.3
623.15387	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02508	39.0
70.30420	98.5
70.30785	87.6
83.66650	41.8
115.97229	39.6
119.04912	84.5
125.26760	41.1
162.24611	45.8
163.03925	100.0
165.03944	67.8
191.05542	89.0
214.29590	49.4
224.57153	44.9
237.37624	46.2
273.94797	40.8
311.07776	56.3
327.08823	47.7
403.87936	49.9
538.18054	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28930	1.1
59.01257	3.3
59.01613	1.1
60.32631	1.1
61.98710	7.2
62.18078	1.0
71.01266	2.1
71.53909	1.2
73.02834	1.3
78.95781	100.0
80.02540	2.5
81.03336	2.0
83.04897	7.2
85.02827	1.4
88.98693	3.5
96.95890	1.4
96.96839	11.7
101.02362	1.3
104.33040	1.1
109.53979	1.1
110.25205	1.1
134.98438	1.3
135.08096	1.5
152.99506	56.0
153.99832	1.2
163.11237	5.9
165.12738	2.7
171.10173	1.8
176.73485	1.0
195.10159	2.0
199.13306	1.2
209.11778	97.4
210.12083	5.7
225.11354	1.1
227.12863	12.3
363.12143	27.5
364.12665	2.7
381.13367	9.5
387.21759	3.1
395.14667	6.2
396.15173	1.5
405.22839	2.4
413.15857	3.1
419.77368	1.5
591.25775	36.0
592.25879	6.2
623.28320	26.8
624.29187	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57050	1.6
59.16631	1.7
65.00190	2.6
69.77892	3.3
69.78278	9.1
75.48744	1.8
83.91149	2.0
95.01213	2.2
96.95859	2.6
101.58622	1.8
101.62880	2.2
109.02834	4.7
109.99961	7.4
111.00759	3.7
123.00780	3.3
124.01495	2.1
136.98711	2.7
137.99417	2.0
139.00279	10.3
149.02408	2.2
151.00249	14.0
152.01062	6.5
163.00310	4.7
164.01006	2.2
165.98973	7.6
166.99710	6.1
175.00296	2.0
175.03900	2.7
177.01802	2.0
178.99773	12.4
179.01094	1.9
192.00478	2.7
199.03889	6.2
201.01909	2.5
203.03513	2.4
206.99286	2.6
214.02629	3.7
215.03436	4.8
216.04007	2.3
227.03360	5.0
231.02985	3.2
242.02176	5.1
243.02882	10.7
244.03499	2.1
245.04564	2.5
255.03056	9.1
259.02509	5.4
270.01709	6.7
271.02475	51.5
272.02850	8.1
287.01993	17.7
288.02618	9.1
290.86862	2.0
298.01404	2.6
299.01965	39.9
300.02396	9.1
301.03366	3.8
316.02243	74.5
317.02942	32.8
398.36362	2.0
489.12387	2.7
569.24854	2.1
625.14044	100.0
626.14246	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
51.04821	0.3
56.37870	0.3
60.44284	0.3
65.00202	0.5
70.87639	0.6
70.87975	0.4
74.22616	0.3
82.99239	0.3
83.01263	0.4
107.01283	0.9
107.05988	0.3
109.02821	0.4
124.01564	1.3
125.02339	0.2
137.02348	1.6
145.02765	0.3
148.01585	0.4
151.00275	4.5
151.58377	0.3
152.01054	0.9
163.00266	0.8
164.01041	0.9
165.01820	0.4
178.99782	5.5
192.00609	0.4
203.03482	0.5
204.04189	0.6
214.02684	4.2
215.03162	0.4
227.03424	0.9
232.03662	0.4
242.02148	3.7
243.02876	2.3
244.03542	0.4
255.03018	0.7
259.02475	4.3
260.02939	0.4
270.01715	5.6
271.02478	27.4
272.02823	2.5
287.01978	13.5
288.02515	2.3
299.02008	0.4
300.02661	3.1
301.03348	0.8
315.01361	0.8
316.02240	78.5
317.02844	16.0
318.03354	0.7
625.14105	100.0
626.14435	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2667
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
61.98710	1.3
64.60669	0.8
69.22452	6.8
80.64837	1.0
94.16147	0.9
134.05983	1.5
197.26389	1.0
211.08760	1.2
211.13097	1.1
213.10283	8.4
215.11847	1.7
251.45752	1.0
299.14044	2.5
316.02197	1.7
327.09863	0.9
328.10977	1.0
342.12128	1.9
356.14221	1.0
370.15668	1.0
389.49307	0.9
398.15103	1.5
407.20758	0.9
418.10440	1.8
420.16583	2.5
432.12128	2.0
433.12970	5.8
434.13425	2.8
435.14273	1.7
439.20999	2.0
447.14517	5.6
448.15408	13.6
449.16144	8.3
450.16556	1.3
461.12259	1.3
463.17761	24.3
464.18295	4.6
465.19055	1.7
477.19302	3.4
478.19873	4.1
479.20822	17.5
480.20978	3.9
490.16257	1.3
491.17221	34.4
492.17599	7.0
505.18591	4.7
506.19485	9.6
507.19772	4.5
520.21063	2.6
523.19928	3.4
537.21631	1.1
538.13965	1.8
538.22217	36.8
539.22626	13.5
561.21008	1.4
593.23975	11.0
594.24310	2.6
611.03027	1.0
625.26599	100.0
626.27026	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
60.99184	15.8
61.98708	2.7
69.53159	2.4
70.39310	0.5
71.01244	0.8
72.19991	0.4
72.99191	2.2
74.88281	0.4
75.00754	0.5
85.02811	0.6
87.00757	0.9
88.00285	2.2
88.98687	100.0
89.02330	5.5
89.99030	1.3
90.01864	0.5
96.95909	1.7
98.19794	0.9
107.54619	0.5
113.02306	0.5
125.02322	0.8
136.57529	0.4
137.02368	0.5
151.00307	0.6
173.04355	0.5
188.88921	0.4
191.05598	0.7
271.02490	1.2
301.03406	0.5
316.02332	1.1
371.24374	1.9
373.25940	4.5
374.26382	0.9
477.96313	0.6
569.05408	0.5
625.14612	2.1
625.24622	0.7
626.14825	0.7
626.25366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.5
55.68170	0.4
59.01257	1.6
63.02266	1.8
65.00199	6.4
67.01768	1.1
68.99696	2.1
71.01255	3.0
72.99173	0.4
73.02831	0.7
79.01775	1.0
83.01276	2.3
85.02850	1.0
86.71706	0.6
87.00767	1.0
89.02324	1.2
93.03328	1.1
95.01249	3.1
96.95860	0.8
96.99190	1.2
99.00780	1.8
101.02313	1.0
105.03340	0.7
106.00492	2.9
107.01277	5.1
108.02061	1.0
109.02837	8.0
110.00005	2.6
111.00762	7.7
113.02316	1.0
116.31745	0.5
117.03382	0.8
119.04917	0.6
120.99210	1.5
121.02837	2.2
123.00768	7.6
124.01601	2.8
124.98711	2.2
125.02309	2.8
131.03419	1.1
131.04910	1.0
133.02850	2.9
134.00017	1.3
135.00780	1.7
135.04437	3.8
136.04868	0.5
136.98700	1.4
137.02353	2.2
137.99509	0.9
139.00267	9.2
139.03929	1.3
140.01047	1.0
141.01831	1.3
143.04944	2.3
145.02838	1.9
147.00787	0.8
147.04420	2.6
147.81865	0.5
148.01578	2.8
148.05200	0.7
148.98732	1.6
149.02362	3.8
149.99480	5.3
151.00284	15.1
151.03899	0.6
152.01132	3.0
153.01883	3.4
153.99039	2.0
154.99776	4.3
155.04868	0.7
157.02882	0.9
158.03683	0.7
159.04422	5.4
161.02364	5.4
162.02983	0.5
163.00346	3.3
163.03914	1.8
164.01051	1.6
164.98257	3.2
165.01845	1.2
165.98991	3.4
166.99770	5.4
168.00571	4.0
169.01370	2.8
169.02745	0.6
170.03497	0.6
171.04437	3.5
173.02362	2.0
174.03114	2.1
175.00304	1.5
175.03923	7.5
176.01056	1.6
176.04443	0.6
176.98253	0.7
177.01869	3.4
177.05598	0.7
177.98996	7.8
178.99791	23.2
179.03319	0.9
180.00310	1.6
181.01321	0.8
181.98480	1.9
185.00890	0.6
185.02374	1.8
186.02892	0.6
187.03937	10.3
188.01009	0.6
188.04428	1.3
189.01851	5.8
189.05527	0.8
190.02567	2.0
190.99768	1.7
191.03441	2.3
191.05585	2.0
192.00612	3.4
193.01361	2.3
194.99266	3.7
197.00739	0.6
197.02324	0.7
198.03091	1.1
199.03961	4.5
200.01007	0.7
201.01848	3.8
202.02678	1.6
202.99911	0.5
203.03450	11.9
204.04126	2.8
204.97754	1.5
205.01320	2.6
205.04962	1.2
205.98544	0.9
206.02130	1.3
206.99339	1.8
207.02817	0.9
209.00842	1.6
213.01881	1.9
214.02592	2.2
215.03471	7.1
216.04094	1.2
217.01404	3.6
217.04958	1.2
218.02217	0.7
219.02953	2.6
220.03712	0.7
221.01088	0.5
222.01382	0.5
222.98781	2.3
225.01895	1.4
226.02681	1.2
227.03468	2.7
229.01341	3.0
230.02080	1.8
231.02927	7.6
232.03709	9.5
233.00906	1.5
233.04477	4.4
234.01476	0.9
241.01378	2.2
242.02187	2.8
243.02968	11.7
244.03368	1.5
245.00876	2.2
245.04509	1.6
246.01622	1.3
247.02423	2.8
248.03041	0.7
253.01422	0.7
254.01982	0.6
255.02951	2.7
257.00656	1.1
258.01569	3.4
259.02457	8.7
260.03186	3.3
261.00101	0.7
261.04034	2.7
269.00815	1.6
269.04385	0.7
270.01563	1.1
271.02484	23.1
272.02850	2.5
274.21472	0.6
275.01920	0.6
283.02432	0.9
286.01251	3.6
287.01971	37.0
288.02612	10.8
289.03433	4.4
297.00485	5.3
298.01086	0.9
299.01971	4.9
300.02713	9.4
301.03464	5.6
302.03665	0.9
303.01465	2.2
304.02234	2.4
305.02988	1.1
314.00687	5.3
315.01462	100.0
316.01871	10.5
317.02844	2.0
326.04214	1.1
327.05261	0.7
331.01016	1.0
332.01709	16.9
333.02469	9.6
334.02988	1.0
447.09348	10.3
448.09818	1.0
473.10751	2.3
475.10941	1.3
487.10760	3.6
491.10269	3.4
492.10687	0.9
527.13892	5.8
528.14453	1.1
555.13574	1.4
583.13239	3.5
599.12335	1.9
601.45227	0.6
609.10956	6.1
610.11615	1.3
627.12036	26.0
628.12531	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	627.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.2
59.01260	1.8
64.43237	0.6
67.01768	1.3
69.03318	0.5
70.24667	0.5
70.85387	1.2
71.01264	2.1
73.02823	0.7
81.03341	2.7
83.01251	1.1
83.04890	0.8
85.02820	15.5
87.00752	5.0
93.03333	9.9
95.01275	0.7
95.04910	0.6
97.02815	1.2
99.04385	1.7
109.02848	2.3
111.04392	2.6
121.02819	0.7
125.02348	9.6
127.03897	3.6
137.02341	5.5
149.02371	0.6
155.03416	0.5
165.01877	4.4
167.03435	5.7
167.04816	0.9
171.02916	1.5
173.04492	4.0
173.05910	1.2
177.01859	0.7
182.03636	0.8
183.04469	1.1
185.05991	2.1
187.04033	0.8
191.05545	100.0
192.05888	4.2
195.04439	1.2
196.05164	1.6
197.06046	6.7
198.03235	1.4
199.03944	1.2
201.01765	0.9
201.05443	1.0
207.04445	0.9
211.03951	2.8
212.04712	2.3
213.05521	6.7
214.02615	5.2
214.05898	0.7
215.03308	1.1
215.07040	4.9
217.04997	1.6
223.03970	3.6
224.04761	1.0
225.05524	9.2
226.02693	4.0
226.05908	1.0
227.03404	6.5
228.04333	0.8
229.01392	17.6
229.05051	1.7
230.02046	2.6
233.06116	0.6
235.03868	2.7
236.04800	0.7
237.05582	1.1
238.06186	0.7
239.03516	2.5
240.04245	4.6
241.05023	27.8
242.02229	3.0
242.05399	1.7
243.02983	1.5
243.06596	6.0
249.05583	0.5
251.03476	7.2
253.05011	9.0
255.02972	1.3
263.03510	5.3
263.06311	0.7
263.07196	0.7
264.04315	3.2
265.05069	3.1
267.03027	8.1
268.03363	0.6
269.04535	16.2
270.04819	1.7
271.06070	1.3
272.03235	2.4
272.17606	0.6
275.07153	1.3
277.05121	1.3
279.03003	1.7
279.06610	2.0
281.04587	2.2
282.04788	0.6
287.05679	2.5
289.05008	0.8
291.02887	0.9
292.03802	1.1
296.03531	0.7
297.04080	11.3
297.07343	1.2
298.04282	0.9
301.05167	1.1
302.05768	1.2
303.06564	3.0
304.07224	0.8
305.04590	1.9
305.08163	0.8
307.06140	1.1
309.04065	2.0
313.05176	0.8
315.04971	3.6
317.08072	1.3
319.06171	0.8
321.07651	1.5
325.07224	0.6
327.06360	0.6
331.06119	2.6
345.07703	2.3
346.08014	0.9
347.05655	0.9
347.09430	1.0
347.13657	0.7
349.07236	2.8
363.08524	1.8
371.05768	1.4
373.07159	3.1
386.49435	0.6
389.06668	5.8
390.07101	0.8
391.08276	3.6
392.08926	0.9
399.05026	2.0
407.07693	1.1
409.09265	2.3
417.06165	7.5
418.06671	1.2
435.07196	28.9
436.07449	4.3
453.08252	7.2
454.08627	1.0
459.09384	0.6
461.10910	0.9
489.03818	0.8
489.10413	10.1
490.10757	1.6
501.09894	0.8
512.59155	0.6
609.12817	2.8
627.13531	48.4
628.14014	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	627.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59726	0.5
55.61391	0.5
56.96627	0.5
63.02261	2.3
65.00200	2.6
68.27280	0.6
70.87668	0.8
70.88003	1.2
82.40088	0.5
83.01291	1.9
85.02821	0.6
93.03330	0.8
96.95901	1.1
99.84196	0.5
107.01289	7.1
108.02129	1.4
109.02850	2.4
121.02866	7.4
124.90437	0.5
125.02357	1.2
135.04433	6.5
148.01585	1.2
149.02353	1.0
151.00288	29.8
152.00681	1.4
159.04454	0.9
161.02339	0.7
163.00310	4.1
163.03853	0.8
164.01076	0.8
165.01794	0.7
166.00423	0.6
169.01341	1.7
173.04474	0.6
173.06038	0.6
178.99803	15.1
179.03377	1.4
180.00124	0.9
187.03920	1.3
191.05548	3.7
192.00557	0.8
199.03943	1.8
201.05536	1.6
210.32335	0.7
211.03963	1.6
215.03485	1.3
216.04321	0.7
226.02737	0.9
227.03505	3.1
228.04042	0.7
229.01486	0.6
229.05025	1.4
230.02324	0.6
239.03400	0.8
241.05098	0.9
243.02982	8.5
244.03326	0.6
245.04509	2.5
254.02135	2.1
255.02986	19.2
256.03430	2.6
257.04520	0.9
266.02289	0.6
269.04547	0.8
271.02512	42.2
272.03040	4.5
273.04083	2.9
283.02582	2.0
285.03668	0.6
299.02045	5.9
300.02777	91.2
301.03540	100.0
302.03946	8.8
313.03506	2.0
435.07040	0.6
437.08832	0.9
447.09366	83.6
448.09720	11.0
463.06711	13.7
464.07040	2.3
481.07813	15.5
482.08316	2.0
627.13550	19.7
627.24103	1.1
628.14124	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	627.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23623	1.2
57.03334	2.1
59.01250	7.6
61.98695	2.2
71.01266	5.4
71.54459	1.5
73.02772	1.6
75.00734	1.4
81.03350	1.9
83.01270	2.1
83.04883	1.0
85.02834	13.5
87.00779	2.7
89.02326	4.3
93.03342	12.2
96.95905	1.4
99.04417	2.2
99.08034	3.1
101.02323	2.8
109.02852	2.1
111.04414	3.0
113.02324	1.6
117.03365	1.9
119.04910	4.8
121.02814	1.4
125.02346	11.2
127.03926	3.0
135.04404	2.1
137.02357	4.8
145.02875	12.3
145.08641	12.7
151.00327	1.2
155.03355	1.3
157.06595	1.0
161.02357	2.1
161.06068	1.4
163.03963	5.2
164.01242	1.1
165.01891	5.4
167.03441	7.7
169.06430	1.4
171.04401	1.3
173.04535	5.6
173.05862	1.5
177.01837	1.5
179.03470	1.3
185.05992	2.2
187.07581	1.1
189.13824	1.1
191.05557	100.0
192.05933	3.5
196.05338	1.4
197.06071	6.5
198.03166	1.6
199.03990	1.5
201.01912	1.1
201.05403	1.1
211.04053	2.5
213.05539	4.6
214.02605	3.7
215.03310	1.9
215.07082	5.9
217.05028	1.9
223.03932	1.2
225.05537	8.5
226.02667	2.4
226.06078	1.4
227.03487	4.4
228.03983	1.4
229.01390	15.4
230.02005	3.1
235.04057	3.0
239.03476	2.5
240.04239	3.5
241.05035	25.9
242.02246	2.3
242.05173	1.8
243.06645	8.0
251.03433	5.4
253.05046	8.3
255.06534	1.5
262.06384	1.3
263.03561	5.1
264.04276	3.4
265.04898	2.0
267.02884	6.0
269.04547	16.8
271.05969	1.4
279.03036	1.8
279.06549	1.4
280.03818	1.3
281.04538	2.6
283.06207	1.5
287.05597	4.8
297.04083	8.0
303.06537	2.3
305.08218	1.8
307.13989	21.0
308.14197	1.4
309.04147	2.9
315.05002	6.7
319.08313	7.9
321.07513	2.4
331.06183	2.9
337.09622	1.6
345.07718	2.1
348.06348	1.3
349.07138	1.7
363.08850	1.9
373.07068	4.0
389.06738	6.2
391.08267	4.5
399.05136	2.3
409.09372	5.3
417.06342	10.1
418.06720	1.4
435.07230	27.9
436.07559	3.8
437.08945	1.8
453.08316	14.7
453.17783	6.8
459.09055	1.4
465.13947	1.9
489.10474	11.8
490.10999	1.6
522.04028	1.1
542.07892	1.2
583.14313	1.7
609.12488	3.0
610.13666	1.8
627.13525	51.0
627.23169	12.7
628.13971	9.1
628.23254	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	627.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73125	0.7
59.01247	3.3
61.98689	0.9
69.03343	0.8
70.59808	1.8
71.01258	2.9
73.02801	0.8
78.17567	0.7
80.06509	0.7
83.04902	0.8
85.02816	1.0
89.02318	1.3
95.01237	0.7
101.02332	2.6
113.02308	1.7
128.22121	0.6
143.40956	0.7
153.12740	1.6
161.04536	1.1
169.12263	5.2
174.39212	0.8
181.12311	0.8
183.13835	7.6
185.11732	1.5
191.05595	1.8
193.12300	1.3
197.11765	100.0
198.12112	5.5
211.13338	93.6
212.13710	6.3
220.87389	0.7
235.08191	2.9
253.09264	8.9
265.37561	0.8
269.35065	0.7
373.23846	1.7
386.88522	0.8
391.25162	1.0
433.20883	3.5
447.22455	3.9
609.33313	1.9
627.33929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.13720	0.4
61.39993	0.4
71.01242	0.5
83.49110	0.4
85.02805	0.5
98.19814	0.9
113.02287	0.5
147.56793	0.4
148.58182	0.4
161.04384	0.5
222.23038	0.5
229.23619	0.6
285.39221	0.4
301.08032	0.4
323.67160	0.5
353.25024	0.8
405.31580	5.3
406.32126	1.1
423.32678	28.5
424.32919	4.9
449.30597	8.9
450.30914	1.3
467.31644	100.0
468.31967	17.5
470.25598	0.5
509.32816	1.5
510.32892	0.7
527.76440	0.5
629.36932	6.4
630.36871	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	631.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79424	0.9
61.98673	1.4
65.00187	0.9
65.33904	0.7
66.45972	0.7
69.03305	0.8
70.02982	2.2
74.16038	0.7
83.01276	0.9
98.19846	1.1
107.01290	1.3
107.60830	0.8
107.79320	0.7
108.02067	1.7
133.02705	0.9
151.00266	5.3
163.00252	0.8
178.99832	4.0
180.15192	0.8
191.05498	3.2
211.07518	1.0
226.02596	0.9
227.03391	2.1
243.02951	6.3
254.02219	1.8
255.02968	18.2
256.03247	2.2
271.02475	41.2
272.02966	3.6
273.03824	0.9
299.01904	3.9
300.02750	100.0
301.03290	16.9
413.13797	0.8
437.20923	0.9
594.61188	0.8
595.13037	87.1
596.13330	14.8
632.13287	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	631.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86210	1.0
52.98385	0.9
59.01252	100.0
60.01590	1.4
71.54160	0.8
72.88834	0.9
75.64447	0.9
87.00754	2.0
88.98659	1.6
121.06477	0.9
191.01231	0.9
193.06511	1.0
208.69475	0.9
277.71411	1.0
318.81958	1.0
363.23407	1.1
365.21060	3.5
381.24265	3.9
383.22354	7.7
391.22595	1.6
421.27530	4.6
422.27667	1.2
423.25357	2.2
435.21793	1.5
439.28366	1.2
441.26453	2.4
449.26392	1.3
453.22519	1.4
471.23877	1.1
529.28003	10.2
530.28394	1.8
576.43652	1.0
611.74255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3851
Annotation	Rubuside F
Peak:m/z	Relative Intensity
58.00486	0.3
59.01249	1.8
60.63944	0.2
70.74406	0.3
70.74714	0.3
71.01278	0.7
77.25275	0.2
85.02835	0.5
89.02323	0.6
95.01322	0.2
101.02346	0.4
113.02308	1.1
161.04405	0.3
207.70551	0.2
270.64935	0.2
331.61896	0.2
407.33221	0.8
425.34262	45.5
426.34592	7.7
451.32162	6.5
451.38211	0.5
452.32535	0.9
469.33209	100.0
470.33551	15.5
483.34616	1.4
511.34125	2.6
512.34534	0.4
552.75403	0.2
631.38483	8.5
632.38843	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	631.3861
Annotation	Rubuside D
Peak:m/z	Relative Intensity
58.00495	0.3
59.01258	3.3
71.01260	2.4
85.02865	1.1
89.02360	1.2
95.01299	0.5
98.19766	0.7
101.02384	0.8
113.02345	3.0
155.06506	0.4
161.04506	0.3
306.71576	0.3
338.54459	0.3
376.24033	0.4
407.33322	1.1
425.34311	48.9
426.34671	8.0
426.40466	0.6
439.35919	0.3
451.32251	9.6
452.32510	1.5
469.33258	100.0
470.33636	17.2
470.40482	0.6
483.34924	3.8
511.34341	8.7
512.34650	1.3
631.38531	20.4
632.29639	0.5
632.39032	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	631.3856
Annotation	Rubuside D
Peak:m/z	Relative Intensity
59.01247	1.7
71.01249	0.9
78.95750	0.6
113.02329	1.5
333.81268	0.5
375.66052	0.5
425.34085	1.5
451.32227	10.0
452.32523	1.3
469.33215	100.0
470.33582	15.5
483.34848	1.5
511.34378	3.2
547.72650	0.6
572.89459	0.6
631.38184	5.5
632.38843	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	633.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01888	0.9
57.03307	4.8
57.32786	1.1
59.01259	7.8
61.98689	4.6
69.03318	1.3
70.52686	3.3
71.01250	8.3
73.02820	1.8
78.95782	1.4
79.09081	0.9
80.02527	1.7
81.03348	1.1
83.01244	1.3
83.04881	4.0
85.02815	2.1
87.00758	1.8
88.98691	1.9
89.02274	4.4
95.04887	1.9
96.95870	2.5
97.06473	15.2
101.02332	6.5
113.02302	3.0
116.92685	1.4
119.03428	1.2
123.08052	9.5
125.02309	3.7
125.09615	100.0
126.09944	5.1
129.69804	1.1
145.04993	1.2
149.05905	1.1
161.04407	2.4
163.11224	2.5
169.08582	2.5
171.10193	8.9
173.04442	1.5
174.62785	1.0
185.95442	1.1
187.09682	67.3
188.09935	1.5
193.10457	1.1
209.11775	51.9
210.12038	3.2
225.11346	1.8
227.12849	6.3
235.08228	1.7
236.50516	1.3
253.09213	4.6
405.17719	8.0
423.18817	18.2
424.19131	2.3
522.74347	1.0
614.18958	1.3
615.30048	8.5
616.30859	1.6
633.31256	95.6
634.31787	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53076	0.5
57.91941	0.5
69.18429	0.9
69.18837	3.3
71.01236	0.5
79.95612	10.0
89.48979	0.5
95.95092	2.4
96.95890	100.0
99.41759	0.4
103.13291	0.4
110.97464	7.2
149.02332	0.6
150.03119	0.5
151.03914	1.1
151.94601	0.4
165.05516	1.4
273.04315	1.2
278.30399	0.5
285.11304	0.5
298.08405	1.0
312.09955	0.8
313.10742	3.1
314.11542	1.3
315.12463	0.8
327.12457	1.0
328.13022	2.4
329.13766	0.6
334.61429	0.5
340.13126	0.5
341.14056	0.7
390.08020	0.7
393.06491	2.6
394.07254	0.7
395.08078	1.1
407.07895	1.3
408.08823	4.9
409.09518	2.2
409.14523	0.5
421.09589	0.5
429.84393	0.6
437.09015	0.8
438.09695	0.7
451.10693	2.5
452.11380	0.9
465.12054	0.7
635.18011	60.1
636.18311	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	637.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.2
57.03316	1.6
59.01252	10.5
61.98700	2.0
65.03838	2.8
69.03320	2.1
69.82635	0.8
69.83031	1.0
71.01253	9.8
72.99186	1.1
73.02802	2.1
81.03334	1.1
83.01261	1.2
83.04874	1.5
85.02816	2.7
86.00043	0.4
87.00748	5.2
89.02322	4.5
90.67344	0.4
91.05399	1.6
93.03347	0.8
95.01285	0.7
95.04897	1.8
97.02824	0.5
97.06458	2.7
99.00757	0.5
101.02319	7.7
105.06976	1.1
107.04909	0.7
109.06470	2.0
111.08021	0.8
112.13808	0.4
113.02355	4.1
115.05415	2.2
117.07014	0.5
119.03369	1.2
119.04919	0.7
121.02849	0.5
123.08046	1.5
125.02355	1.1
125.09621	10.4
129.07010	0.5
133.10066	0.5
135.08052	1.8
137.05952	0.8
137.09555	0.5
145.04985	1.4
157.10161	0.7
161.04463	1.8
161.09639	0.9
163.11211	0.8
165.05412	0.6
170.06033	0.5
171.10245	0.7
173.84012	0.5
178.40884	0.4
179.05524	0.7
179.10593	0.5
181.12256	0.9
185.11806	3.8
185.13281	0.7
187.09668	1.7
187.11221	0.4
187.14839	5.1
189.12781	0.6
191.10628	1.1
195.11772	0.8
201.12865	1.0
203.14365	0.8
205.12297	1.2
209.11789	11.7
210.12181	0.8
211.13182	0.7
213.12822	6.1
214.13182	0.6
215.10709	0.9
221.15410	0.7
231.13858	13.0
232.14212	1.2
233.11823	1.7
235.08253	3.7
235.13341	0.8
241.15846	0.5
245.15320	0.6
247.13275	0.9
249.14973	2.2
253.09235	1.0
261.15079	0.6
263.16574	0.5
273.14716	0.7
285.15009	0.8
287.16644	0.5
289.14590	0.5
321.22531	0.5
329.24780	1.4
331.19501	0.5
339.23328	3.4
355.22812	1.1
357.24307	1.4
365.21219	1.7
373.23831	2.3
375.25043	0.5
383.22305	13.8
384.22714	1.4
391.24954	1.3
401.23309	14.7
402.23712	1.8
405.17908	0.4
419.24490	3.4
420.24689	0.8
445.20615	0.6
475.30502	1.5
507.55676	0.5
619.31232	100.0
620.31586	20.9
637.32227	17.9
638.32574	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	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07355	0.4
51.16217	0.4
57.66423	0.5
59.01260	0.6
64.29687	0.5
65.00196	1.3
69.39024	0.6
69.39428	2.2
72.99197	1.1
81.95879	0.4
83.01236	0.6
84.88350	0.5
88.98662	0.9
98.20564	0.8
105.60306	0.4
107.01299	1.9
111.35622	0.4
128.79343	0.5
135.00816	0.5
140.70000	0.4
143.04861	0.6
151.00284	8.2
157.02888	0.4
159.04465	0.8
162.53656	0.5
163.00284	2.1
164.01082	0.6
169.01398	0.5
171.04456	1.4
171.35287	0.5
175.03935	1.4
177.01863	0.6
178.99796	5.0
179.10681	0.9
187.03943	1.9
199.03859	2.8
203.03465	6.4
204.03859	0.7
211.30647	0.4
213.01999	0.5
214.02650	0.8
215.03418	4.8
216.03912	0.9
217.01369	0.6
223.09700	1.6
226.45995	0.5
227.03447	0.7
231.02974	6.0
232.03426	0.5
241.01402	1.1
242.02269	1.4
243.02969	9.6
244.03566	0.6
245.01042	0.5
258.01581	0.7
259.02472	16.1
260.02814	0.8
268.35077	0.6
269.00900	0.9
270.01736	1.6
271.02499	19.1
272.02954	2.6
285.04092	1.8
286.01181	1.9
287.02005	29.6
288.02438	3.1
299.01953	1.0
301.03589	3.0
302.04291	0.9
314.04224	1.1
315.01492	70.3
316.02087	14.7
317.02725	1.3
329.02890	1.4
330.03818	78.8
331.04507	25.9
332.05023	2.0
607.12360	0.5
639.15704	100.0
640.16028	18.7
640.26709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.7
57.03318	3.9
58.00469	1.3
59.01251	24.4
61.98704	1.9
65.03835	2.4
67.62132	0.8
68.77453	0.8
71.01255	21.9
72.99172	2.5
73.02820	6.0
78.95776	17.7
80.02532	0.9
81.03337	3.0
83.01263	3.7
83.04897	8.3
85.02831	7.0
85.06463	1.9
87.00750	9.4
89.02308	11.9
91.05418	1.2
93.03322	1.4
95.01245	2.1
95.04882	2.2
96.96835	1.8
97.02806	1.7
97.06473	4.1
99.00757	1.2
101.02320	17.7
102.02624	1.3
105.06945	1.2
106.04043	1.0
109.06472	3.0
111.00787	1.1
111.04421	1.1
111.08026	6.4
113.02345	9.7
119.03396	2.4
119.04960	1.1
121.69474	0.8
122.03629	1.1
123.08055	2.3
125.02331	1.4
125.09618	17.1
127.11192	1.0
127.99998	0.9
133.04968	1.2
135.08044	2.5
137.05966	0.9
137.09607	1.7
145.04965	5.8
149.09598	1.1
152.99492	11.8
159.11737	1.2
161.04454	5.0
161.05679	0.9
163.11205	2.8
165.12740	1.6
171.10178	60.3
172.10533	2.9
172.11963	1.0
179.05563	2.2
183.13872	3.5
185.11734	2.3
187.09752	1.5
187.14798	1.6
193.12337	1.4
197.13301	1.1
201.12914	1.0
205.15939	5.3
207.13875	1.4
209.11777	46.9
210.12228	4.2
211.13354	48.0
212.13623	3.0
213.12862	1.0
215.14391	13.6
216.14705	1.0
221.15381	2.5
227.12865	1.6
231.13907	6.6
233.15427	39.9
234.15828	4.2
235.08203	13.3
235.13374	1.1
247.17171	1.2
249.14943	31.8
250.15344	2.3
251.16508	2.3
253.09293	7.7
283.67172	0.8
313.25223	1.9
317.72693	0.9
323.23785	1.6
331.26581	4.3
341.24869	5.6
342.25375	1.0
347.12650	1.6
357.24475	1.3
359.25961	3.9
363.12186	3.1
367.22711	4.0
375.25443	5.0
376.25873	1.2
379.15277	2.7
385.18762	1.6
385.23816	31.6
386.24109	4.6
393.26511	1.4
395.14679	2.8
403.24893	45.2
404.25241	7.2
407.19238	1.5
421.25897	13.5
422.26346	1.6
447.22324	1.2
459.27420	1.3
477.31860	1.3
485.23874	2.4
495.29660	1.4
575.26227	4.8
576.26721	1.1
603.31116	1.1
606.48889	0.9
607.29230	6.0
611.34515	2.1
621.32788	100.0
622.33173	22.3
622.42847	1.9
639.33838	46.1
640.33850	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3752
Annotation	Guineamide C
Peak:m/z	Relative Intensity
55.71394	0.8
59.01255	3.9
61.98695	3.4
65.00474	0.8
65.53533	0.8
69.45224	0.8
69.72516	0.8
71.01250	2.7
73.23544	0.7
83.04892	0.9
85.02831	1.7
87.00755	1.2
94.16589	0.9
101.02325	2.8
113.02321	1.1
122.03596	1.3
125.02269	0.9
135.04443	4.2
136.05203	43.6
136.43422	0.9
137.05598	2.7
148.05193	0.9
149.05988	12.3
150.06734	1.4
162.06776	14.6
163.07489	1.6
168.02501	0.9
171.10178	3.1
174.06818	1.1
185.09624	0.9
189.09158	0.8
209.11787	13.9
211.13356	12.2
212.13802	1.0
224.44746	0.8
224.71454	0.8
235.08090	1.1
236.08572	0.9
249.15065	1.2
253.09285	1.7
265.86371	0.8
275.20151	1.4
276.73071	1.1
312.05527	0.9
385.24051	0.9
394.60165	0.9
403.24619	2.8
415.32471	1.7
416.29260	3.2
421.26147	1.4
429.30014	0.9
431.31595	14.5
432.31985	2.7
458.30817	1.7
459.31149	2.4
476.31308	5.1
477.32187	31.3
478.32724	5.8
519.33270	1.0
621.32703	2.0
639.37555	100.0
640.37952	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	641.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05122	1.7
57.86058	2.0
59.01236	2.9
62.07967	1.8
63.02258	1.7
65.00193	7.8
70.67777	3.0
71.01257	3.6
83.01241	3.7
93.03401	2.4
95.01270	5.3
106.00488	2.2
107.01274	9.0
109.02851	10.6
111.00783	6.4
121.02825	2.9
123.00786	10.7
124.01561	3.6
124.98744	3.3
125.02341	7.1
133.02879	5.6
135.04362	2.2
137.02318	2.2
139.00279	9.0
143.04890	3.5
145.02872	3.1
147.04350	2.4
148.01518	2.3
149.02354	8.0
149.99538	4.8
151.00273	28.0
152.01015	5.7
153.01810	3.7
154.99809	2.3
159.04439	7.8
161.02319	5.6
163.00276	5.2
163.03900	2.6
164.00943	2.4
164.98181	4.9
165.01878	2.5
165.98860	3.3
168.00520	3.5
169.01331	4.0
171.04424	4.4
174.03183	2.4
175.03850	4.2
177.01834	4.1
177.99004	7.6
178.99785	30.2
181.98578	3.5
187.03931	14.1
189.01869	8.7
191.03694	2.3
191.05545	9.3
192.00601	2.5
193.01451	4.3
194.99347	3.0
198.03119	2.2
199.03905	8.1
201.01878	6.3
202.02565	2.8
203.03467	11.6
204.04176	2.5
206.99219	3.0
207.02950	2.6
208.00076	2.9
209.00790	2.7
213.01926	2.4
214.02650	3.4
215.03453	11.8
216.04134	2.6
217.01376	3.5
218.02145	2.9
219.02960	2.4
227.03439	5.4
229.01321	3.6
230.02138	3.0
231.02855	9.8
231.76288	2.0
232.03703	5.3
233.04509	4.3
237.08603	1.9
242.02324	2.2
243.03001	18.3
245.04507	2.4
247.02348	3.6
255.02969	4.5
258.01770	4.5
259.02530	12.9
260.03094	4.8
261.04227	2.8
269.00937	5.2
271.02478	40.4
272.03018	6.9
286.01254	5.7
287.02026	42.7
288.02579	10.0
289.03506	6.1
297.00421	9.1
299.01950	15.6
300.02698	10.9
301.03400	12.5
303.01639	2.8
314.00610	4.8
315.01456	100.0
316.02029	12.5
317.02957	5.5
332.01825	10.5
333.02420	8.8
413.79498	2.1
479.07520	2.7
501.12164	2.8
505.12354	2.3
517.11761	2.7
529.11975	2.5
541.15491	3.6
569.15015	4.6
595.13330	3.2
597.14532	5.5
623.12292	16.5
624.13477	3.7
641.13580	51.7
642.13879	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	641.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
63.72286	0.7
65.00185	2.6
69.63580	2.2
69.63985	1.8
71.01228	1.1
75.01902	0.8
87.89866	0.7
95.01256	2.0
96.99174	1.6
107.01261	3.2
109.02842	1.2
109.99979	8.1
111.00777	5.9
123.00775	3.7
124.01528	2.2
124.98667	1.4
125.02319	2.0
132.14632	0.7
133.02803	0.9
135.00771	1.5
135.04416	0.9
136.98724	1.4
137.02362	0.9
137.99515	4.1
139.00270	12.1
140.00992	1.2
141.98985	1.4
143.04950	1.5
145.02856	0.9
147.04373	1.5
149.02377	0.9
151.00284	10.6
152.01086	7.0
153.01845	1.0
159.04404	2.1
161.02377	1.8
163.00253	2.6
163.03937	1.3
164.01060	2.2
165.01830	1.7
165.98987	12.2
166.99835	5.1
169.01288	1.2
171.04419	2.1
175.03865	2.0
176.01009	1.1
177.01865	3.6
178.60715	0.8
178.99791	12.1
180.00475	2.1
185.02473	1.0
187.03938	4.8
189.01846	3.4
190.02617	1.8
190.99858	1.3
191.03429	1.9
191.05542	1.8
192.00482	2.2
193.01349	1.0
193.98587	1.0
194.99313	1.9
197.02336	0.9
199.03975	2.0
201.01869	2.0
202.02583	1.1
203.03448	7.3
204.03778	0.9
205.01324	2.6
206.99261	2.1
213.01903	1.2
214.02605	1.8
215.03419	5.9
217.01370	2.2
217.05092	0.9
218.02113	2.1
219.02875	3.4
220.03564	1.3
221.00943	1.0
225.01860	0.8
227.03488	1.7
229.01389	2.2
230.02162	2.7
231.02966	5.7
232.00047	1.1
232.03603	2.7
233.00710	1.6
233.04391	0.9
241.01419	2.2
242.02170	1.5
243.02939	7.9
244.03407	1.2
245.00996	1.7
246.01721	1.7
247.02315	1.7
248.03221	1.2
257.01141	1.3
258.01721	4.4
259.02441	9.4
260.03049	3.0
261.03931	1.2
269.00842	2.3
270.01514	0.9
271.02469	11.7
275.01965	2.1
286.01184	7.2
287.01978	39.6
288.02469	6.6
289.03229	1.6
297.00345	2.3
299.64709	0.9
303.01489	5.1
304.02161	4.0
305.02972	1.3
314.00748	1.6
315.01465	56.4
316.01953	8.1
317.02914	2.8
331.00854	2.3
332.01727	63.0
333.02377	16.6
334.02600	1.1
357.02390	1.4
479.07983	1.8
489.12210	1.1
597.14075	1.6
623.12579	9.2
624.13037	1.6
641.13574	100.0
642.13940	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
61.98710	0.5
64.94038	0.3
69.47722	1.6
71.01253	1.6
71.90752	0.2
73.02795	0.5
73.82265	0.2
78.95786	0.3
81.70369	0.2
83.04940	0.3
85.02821	0.4
87.00764	0.5
87.30447	0.2
89.02322	0.9
96.95901	0.3
98.20588	0.4
101.02335	1.2
113.02328	0.7
119.03400	0.3
122.11136	0.2
137.05988	8.0
138.06332	0.5
143.03441	0.2
145.04970	0.3
155.10728	0.3
161.04471	0.3
165.05487	10.4
166.05898	0.6
167.14307	0.6
183.13852	5.6
184.14143	0.3
193.12285	1.3
211.13341	100.0
212.13693	6.2
235.08253	1.3
246.39087	0.2
253.09319	4.2
347.49902	0.3
387.25641	0.5
400.01987	0.3
405.26514	0.5
429.20938	0.6
446.22830	0.3
447.22357	4.8
448.22623	0.7
461.32358	0.3
464.31396	0.4
479.33798	16.8
480.34064	2.8
603.94354	0.3
623.34216	0.8
641.38885	1.1
642.40021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.1
61.98697	0.6
67.06872	0.2
67.96282	0.2
69.03360	0.3
71.01267	1.8
71.53806	0.3
73.02818	0.3
83.01273	0.3
83.04901	0.3
85.02839	0.2
87.00759	0.4
89.02313	1.2
101.02351	1.3
101.39037	0.2
101.98137	0.2
113.02324	0.8
131.54961	0.2
145.05075	0.3
161.04420	0.5
164.82973	0.2
167.14284	0.5
183.13844	6.3
193.12312	1.9
211.13356	100.0
212.13695	6.3
235.08275	1.6
253.09309	4.5
269.38159	0.3
387.25504	0.5
429.21344	0.7
447.22394	5.1
448.22903	0.6
623.34546	0.9
641.35144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
61.78510	0.1
65.31038	0.1
69.03335	0.5
71.01261	1.4
73.02812	0.3
78.10872	0.2
83.01271	0.2
83.04901	0.4
83.29788	0.2
85.02833	0.4
87.00764	0.4
89.02307	0.9
98.19771	0.4
101.02340	1.4
113.02341	0.9
119.03403	0.3
119.39886	0.2
145.04956	0.3
155.10693	0.3
161.04469	0.6
165.12779	0.5
167.10724	0.3
167.14340	0.6
183.13843	6.8
184.14168	0.3
187.25250	0.2
193.12282	2.0
211.13342	100.0
212.13684	6.7
213.74200	0.1
225.62897	0.2
235.08188	1.5
241.15285	0.2
246.08217	0.2
253.09264	4.5
254.09706	0.3
276.45847	0.2
387.25345	0.6
405.26489	0.2
429.21204	0.6
447.22342	4.5
448.22672	0.6
512.08325	0.2
623.34491	0.6
624.35162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3908
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
59.01246	1.1
61.66781	0.4
61.98703	1.0
67.08359	0.3
70.59774	1.2
71.01258	0.9
89.02301	0.5
101.02373	0.6
135.04456	0.7
137.05984	60.8
138.06317	2.6
143.10707	0.4
148.38387	0.4
151.03842	0.7
152.04688	1.0
165.05490	70.1
166.05812	3.9
173.06006	1.0
175.10779	0.3
178.91132	0.4
183.13811	2.1
185.23781	0.4
187.07640	0.5
188.08441	0.6
191.07123	1.6
193.12231	0.7
197.11778	0.8
199.81409	0.4
202.30966	0.4
209.11852	0.7
211.13347	41.4
212.13622	2.8
235.08133	0.6
253.09247	1.6
405.25775	0.4
430.36795	0.4
443.31955	0.5
447.22394	1.4
451.33932	0.7
461.32681	2.0
462.32614	0.4
464.31454	2.7
479.33792	100.0
480.34109	15.7
623.33984	0.5
641.39209	6.9
642.39600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
61.83481	0.5
61.98706	1.3
64.72536	0.5
65.79581	0.6
69.44394	2.3
69.44804	1.0
71.01277	1.2
82.43207	0.4
89.02309	0.9
91.00949	0.5
96.95906	0.6
96.96852	0.7
101.02370	1.1
106.26499	0.5
126.95368	0.5
136.84650	0.5
137.05992	57.6
138.05400	0.6
138.06335	3.0
143.25742	0.5
151.03947	0.8
152.04657	0.9
164.04620	0.5
165.05493	63.9
166.05815	3.9
171.10202	0.5
173.06006	0.6
183.13815	3.4
191.05415	0.6
191.07076	1.6
193.12222	1.1
197.11821	1.0
207.10170	0.5
208.44670	0.5
209.11830	1.7
209.82477	0.5
211.13358	54.1
212.13704	5.0
213.14087	0.5
225.11313	0.6
235.08159	0.5
253.09328	2.6
308.48270	0.5
447.22360	2.0
461.32452	1.7
464.31232	2.6
465.52051	0.5
479.33795	100.0
480.34085	16.6
623.33514	0.6
641.39612	5.6
642.38849	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	643.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28918	4.4
51.79057	4.2
53.39970	4.7
58.86315	3.9
59.01254	8.4
59.75566	4.6
60.31563	4.3
65.00192	16.2
68.99691	5.5
69.41386	4.6
71.01254	18.3
71.53849	5.0
71.55171	4.6
72.39822	4.7
83.01281	12.1
88.98658	7.0
92.78286	5.6
93.03324	5.3
95.01261	10.4
97.38018	5.0
99.00757	11.2
103.14726	5.3
107.01251	12.0
109.02835	21.6
110.00006	6.7
111.00793	19.2
117.03335	5.5
121.02872	10.0
123.00762	19.7
124.01572	6.3
124.98775	4.9
125.02311	9.2
131.03404	7.0
131.04964	5.6
133.02841	7.9
135.00757	7.6
135.04445	5.9
137.02318	10.1
139.00270	31.8
145.02972	5.1
147.04477	6.1
149.02333	12.0
149.99518	12.3
151.00282	32.6
151.42812	4.7
152.01035	12.4
153.01854	9.7
154.99753	37.1
155.18468	4.6
159.04376	11.5
161.02383	15.5
163.00284	15.9
163.03889	7.6
164.98195	8.5
165.01813	11.0
165.99013	7.4
166.99791	30.3
168.00645	5.7
169.01390	9.5
171.04405	7.9
173.02338	5.8
175.03879	14.5
177.01828	22.2
178.99783	36.4
181.01328	17.2
184.00023	12.9
185.00848	5.0
187.03923	21.5
189.01906	13.1
190.02663	7.2
190.99741	6.0
191.03497	8.0
191.05511	7.5
192.00618	9.8
193.01315	10.4
194.99300	19.5
199.03889	6.5
201.01900	11.7
202.02368	5.7
202.70499	5.6
203.03444	19.1
205.01324	11.7
208.00114	8.7
209.00916	9.1
213.01888	13.8
215.03447	18.5
217.01341	11.1
219.02933	8.8
229.01382	12.7
231.02956	20.6
232.03653	8.6
233.00958	6.1
241.01285	8.3
243.02948	24.0
245.00871	9.9
246.01625	5.7
247.02510	9.7
248.03119	8.0
258.01706	5.2
259.02509	35.9
261.04044	5.6
269.00949	6.3
271.02472	19.8
274.01178	7.8
275.01978	19.4
276.02390	5.1
285.00394	9.8
286.01074	8.9
287.01981	100.0
288.02338	10.0
299.02087	7.8
300.02780	27.1
301.03564	16.6
303.01398	27.4
304.02249	9.3
305.02872	15.7
312.99948	17.9
315.01489	66.3
315.04941	9.1
316.02066	14.0
317.03171	7.8
326.04361	6.4
327.04910	7.4
331.00986	98.4
332.01181	7.4
333.02734	6.6
348.01056	7.0
349.01956	23.3
437.08673	7.8
463.08148	8.7
465.86685	6.3
487.10822	18.0
489.10611	16.7
503.10126	6.2
505.38260	4.9
507.09644	27.3
569.11322	14.2
570.12421	6.0
571.13354	8.7
599.12927	11.6
610.11774	7.6
625.09882	24.4
643.12146	44.9
644.12653	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69817	1.1
56.88269	0.9
59.01260	1.8
61.94526	1.0
61.98695	3.4
63.02281	1.3
65.00201	2.5
71.01241	1.3
71.02595	1.0
71.02941	1.7
80.88856	1.1
81.80040	1.1
82.29327	1.0
83.01248	2.0
83.30429	1.0
85.02848	1.1
87.00755	4.5
88.98653	1.6
93.03367	1.5
96.91457	1.0
96.95870	1.8
101.02296	1.4
107.01260	4.7
107.79520	1.1
109.02814	1.8
112.33446	0.9
113.14613	1.1
118.39852	1.0
121.02837	4.6
121.50726	1.0
122.10590	0.9
125.02338	1.1
131.81027	1.0
135.04427	7.9
148.01569	1.4
149.02364	2.0
151.00281	24.2
151.03891	1.5
163.00261	2.4
169.01389	1.9
169.28520	1.1
172.27086	1.1
178.99785	13.0
179.03360	2.1
191.05562	2.9
227.03433	2.9
229.85162	1.2
243.02956	6.2
244.03531	1.0
254.02055	1.2
255.02982	19.0
256.03311	1.8
271.02472	43.2
272.02838	6.2
299.01846	2.8
300.02740	88.5
301.03476	100.0
302.03751	7.2
306.07605	1.5
313.03506	3.0
372.87866	1.0
443.33313	1.0
463.08838	66.3
464.09085	9.8
481.07748	33.1
482.08072	4.6
497.73688	1.2
580.13654	4.8
625.12469	1.3
643.13196	8.9
643.23364	1.9
644.13605	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	643.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85900	0.7
59.01258	0.9
61.98685	2.2
63.02267	1.2
65.00185	2.9
71.01279	0.6
71.54712	0.8
83.01266	1.7
87.00743	1.4
90.58186	0.6
93.03343	1.0
96.95898	1.3
101.02328	0.8
102.21236	0.6
107.01261	5.8
108.02073	1.1
109.02825	1.6
109.12365	0.6
120.99567	0.7
121.02829	5.1
125.02340	1.0
135.04436	7.3
148.01620	1.2
151.00279	26.3
163.00247	2.6
169.01271	1.5
178.99794	13.2
179.03374	2.0
187.03903	0.8
191.05544	2.9
211.03937	1.4
226.02635	0.9
226.71367	0.7
227.03462	2.0
229.04991	1.6
243.02974	6.8
245.04549	1.2
248.55484	0.8
254.02180	2.0
255.02975	19.0
256.03342	2.2
257.04370	0.7
271.02478	38.8
272.02936	5.4
273.03897	1.4
299.02051	3.2
300.02744	87.3
301.03494	100.0
302.03824	7.8
306.07495	0.7
313.03653	3.2
389.25494	0.8
437.08829	0.8
463.08823	65.8
464.09052	8.9
481.07779	29.7
482.07996	4.5
489.09830	0.8
570.08093	0.7
570.40210	0.8
580.13763	3.6
625.12103	1.0
643.12988	8.6
643.22906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79093	0.6
71.25185	1.2
72.63770	0.8
76.01021	0.7
91.01852	0.7
93.03362	1.1
96.95898	0.6
107.01256	1.2
108.02080	1.0
109.02857	4.2
120.99554	1.3
121.02848	1.8
123.00887	0.7
124.53599	0.8
126.19774	0.7
133.02835	1.4
134.03616	0.8
135.04416	18.5
136.04750	0.8
149.02379	1.1
151.00269	5.9
161.02322	2.0
163.00276	1.5
177.01869	3.3
178.99776	2.8
184.54659	0.7
189.01801	1.4
190.02579	2.1
191.05544	2.1
205.01392	0.9
211.03900	1.1
226.02670	2.0
227.03363	2.2
243.02852	6.7
253.05087	0.8
254.02121	2.2
255.02969	10.1
256.03424	1.3
267.96765	0.7
269.04584	1.9
271.02481	38.8
272.02917	3.3
281.04401	2.5
283.02444	6.0
297.04095	4.9
298.04544	1.5
300.02750	60.3
301.03458	22.7
302.03809	1.9
303.01447	0.8
311.01962	1.1
326.04355	15.3
327.05042	6.5
463.08810	100.0
464.09109	11.8
464.23077	0.8
489.10330	17.4
490.10815	1.5
643.13300	1.1
656.13501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85900	0.7
59.01258	0.9
61.98685	2.2
63.02267	1.2
65.00185	2.9
71.01279	0.6
71.54712	0.8
83.01266	1.7
87.00743	1.4
90.58186	0.6
93.03343	1.0
96.95898	1.3
101.02328	0.8
102.21236	0.6
107.01261	5.8
108.02073	1.1
109.02825	1.6
109.12365	0.6
120.99567	0.7
121.02829	5.1
125.02340	1.0
135.04436	7.3
148.01620	1.2
151.00279	26.3
163.00247	2.6
169.01271	1.5
178.99794	13.2
179.03374	2.0
187.03903	0.8
191.05544	2.9
211.03937	1.4
226.02635	0.9
226.71367	0.7
227.03462	2.0
229.04991	1.6
243.02974	6.8
245.04549	1.2
248.55484	0.8
254.02180	2.0
255.02975	19.0
256.03342	2.2
257.04370	0.7
271.02478	38.8
272.02936	5.4
273.03897	1.4
299.02051	3.2
300.02744	87.3
301.03494	100.0
302.03824	7.8
306.07495	0.7
313.03653	3.2
389.25494	0.8
437.08829	0.8
463.08823	65.8
464.09052	8.9
481.07779	29.7
482.07996	4.5
489.09830	0.8
570.08093	0.7
570.40210	0.8
580.13763	3.6
625.12103	1.0
643.12988	8.6
643.22906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14074	1.1
59.01243	4.5
61.98702	3.8
71.01267	3.0
75.00754	1.4
85.02838	1.9
87.00797	1.5
96.95882	4.9
96.96805	1.4
98.19767	3.0
99.86378	1.3
101.02433	1.4
101.14412	1.3
109.02825	5.5
120.51958	1.6
121.06442	2.0
122.03613	2.5
123.04364	2.6
125.02355	1.9
133.16245	1.2
135.04387	2.2
136.05199	37.7
137.02347	26.5
137.05528	2.0
149.05995	8.0
150.03101	1.5
150.06741	4.7
150.20384	1.3
151.00250	4.7
151.03912	4.2
151.07492	1.5
162.06825	2.2
163.07516	2.7
164.01013	3.4
164.08385	3.6
165.01851	93.8
165.05438	3.0
165.09125	19.1
166.02611	14.7
167.03203	3.8
175.03900	1.6
179.03419	19.5
179.07043	1.4
179.10617	1.3
180.04210	50.4
181.04951	18.8
191.05608	2.2
194.05809	1.9
195.02904	3.1
195.06566	70.7
196.06921	3.9
197.11754	8.0
205.05020	4.2
209.11731	9.1
210.05280	9.2
225.07660	50.0
225.11072	2.1
226.08005	3.2
227.12863	2.7
251.20113	1.5
315.21811	12.4
316.21909	1.5
359.11469	2.2
363.88272	1.3
387.10349	2.6
387.14587	4.8
402.13284	1.4
403.13608	1.9
417.15576	26.2
418.15842	3.6
420.28613	2.1
435.30972	6.7
463.30585	5.6
480.30887	5.1
481.31339	29.2
482.32147	4.5
580.19061	2.1
595.21857	32.9
596.22369	9.5
642.35931	3.1
643.28259	3.5
643.36963	100.0
644.37341	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49206	0.2
55.01775	0.2
58.00474	0.3
59.01255	3.8
65.47612	0.2
66.60373	0.2
69.03340	0.9
70.66101	0.3
71.01252	3.0
73.02820	0.5
77.23457	0.2
80.02546	1.3
81.03340	1.1
83.01274	0.8
83.04900	3.9
84.02031	0.4
85.02830	1.0
87.00770	0.6
89.02321	2.2
92.40581	0.2
95.01294	0.3
95.04934	0.8
97.02808	0.4
101.02322	3.4
113.02311	1.4
118.90297	0.3
119.03400	0.9
125.09565	0.4
135.08076	0.6
141.09166	0.3
145.05055	0.3
153.09151	0.4
153.12729	1.3
161.04439	1.4
163.11209	3.2
165.12749	2.0
169.12251	7.1
169.13651	0.5
170.12671	0.3
171.10164	1.6
179.10692	0.6
181.12230	0.6
185.11716	0.5
191.10678	0.9
197.11766	100.0
198.12090	6.3
199.13344	0.6
201.11322	0.8
209.11772	95.7
210.12103	6.0
211.13286	0.6
223.13377	0.8
227.12856	14.8
228.13148	1.0
235.08237	2.9
235.13396	1.6
253.09264	9.8
254.09686	0.5
305.23410	0.3
371.22321	0.3
389.23224	0.7
407.24091	0.4
433.20807	3.2
434.21063	0.3
445.20764	1.1
459.22476	0.3
569.78168	0.3
607.31134	1.0
625.32098	0.9
630.44940	0.3
643.33606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.00486	0.4
59.01255	3.3
69.03336	0.9
71.01261	3.3
73.02829	0.5
78.42615	0.2
80.02578	0.9
81.03346	0.8
83.01237	0.4
83.04897	3.8
83.05373	0.4
84.02039	0.5
85.02835	0.9
87.00742	0.7
89.02319	2.2
95.04931	0.7
97.02839	0.3
97.06454	0.5
98.20006	1.6
98.20680	0.6
101.02313	3.2
106.84748	0.2
113.02351	1.6
119.03400	0.9
123.93695	0.2
125.05988	0.4
125.09627	0.3
135.08052	0.4
141.09109	0.3
143.03378	0.4
145.05005	0.5
153.09186	0.3
153.12730	1.5
161.04495	1.3
163.11198	3.1
165.12816	1.6
169.12247	5.7
171.10146	1.5
172.32738	0.3
179.05487	0.5
179.10684	0.8
181.12224	0.3
191.10759	0.9
197.11765	100.0
198.12105	6.3
199.13297	1.0
201.11246	2.9
209.11769	92.9
210.12115	6.2
211.13432	0.8
223.13406	1.9
227.12834	15.1
228.13214	0.9
235.08185	3.3
235.13345	1.5
253.09256	10.3
254.09517	0.4
371.22281	0.5
389.23410	1.2
407.24338	0.5
433.20822	3.0
434.20969	0.3
445.20795	1.4
463.21475	0.3
551.97516	0.3
607.31152	1.0
625.32574	0.6
643.32922	0.5
653.55811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.9
59.01236	1.5
61.98701	1.6
62.21197	0.6
71.01247	1.5
71.54575	0.9
73.02827	1.0
83.04934	0.6
86.25803	0.6
87.00726	1.0
89.02338	0.7
93.57786	0.6
96.95886	2.8
101.02310	1.4
109.02848	1.1
111.04431	0.9
113.02390	0.9
116.92731	1.1
121.06474	0.7
122.03647	2.0
123.04412	1.0
125.02339	1.6
135.04427	1.9
136.01630	0.8
136.05205	24.9
137.02328	5.1
137.05962	1.2
148.05115	1.3
149.02368	0.9
149.06007	6.4
150.03064	0.8
150.06760	1.8
151.00323	0.9
151.03885	1.3
151.07466	0.9
162.06799	2.2
162.81410	0.6
163.07559	2.3
164.08321	1.9
165.01849	15.9
165.05440	0.9
165.09123	13.8
166.02582	3.0
166.09430	0.8
167.03358	0.8
179.03427	4.0
179.10860	0.6
180.04199	9.1
181.04979	3.1
191.05521	1.2
195.06558	11.1
197.11754	3.5
205.05013	0.9
209.11748	3.7
210.05243	1.7
225.07654	7.7
227.12888	1.2
239.20187	0.6
251.20186	2.0
263.52838	0.7
278.82367	0.6
312.58246	0.6
313.23816	0.8
315.21729	10.9
316.21951	0.7
352.38361	0.7
387.14648	1.4
402.28391	0.8
417.15491	2.9
417.30606	0.8
420.28772	2.0
435.31094	6.7
436.31396	1.0
463.30634	3.9
480.30563	5.8
481.31647	27.6
482.32422	3.2
595.21655	5.4
596.22119	1.8
643.37006	100.0
644.27234	1.2
644.37354	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	645.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51236	1.5
55.25745	1.6
58.00466	2.2
59.01249	4.9
71.01249	4.5
71.54369	2.1
75.00741	3.1
79.95589	1.8
81.12820	1.7
87.00755	2.1
88.98676	9.3
89.02325	6.3
93.03339	4.6
96.95897	5.3
97.53900	1.6
108.02037	2.5
109.02837	54.1
109.74603	1.5
110.03153	2.9
113.02307	1.6
113.89771	1.7
119.04867	1.7
121.02834	5.0
122.03669	3.2
123.04400	19.8
125.02332	3.4
130.52798	1.9
133.02867	6.5
135.04428	3.7
136.01579	1.9
137.02338	6.8
138.03140	3.2
139.03845	4.0
145.02913	4.5
147.04416	2.5
149.02324	9.3
150.03091	12.6
151.00305	2.8
151.03918	18.0
153.05452	6.0
161.02354	15.2
162.03142	5.4
163.03970	3.3
164.04735	1.9
165.01857	27.3
165.05498	10.6
166.02654	3.0
167.03375	2.5
177.01860	31.6
177.05382	1.8
178.02649	2.9
179.03418	6.4
179.07002	2.9
180.04152	16.9
181.04938	5.4
187.03914	3.1
189.01843	29.6
190.02602	6.2
190.94168	1.4
191.03423	5.5
192.04175	2.9
193.01357	2.8
193.04979	6.8
194.05679	2.1
195.02930	3.0
195.06537	37.1
196.06847	1.7
198.03140	1.8
203.03500	3.4
207.02946	5.9
207.06537	1.6
209.04596	1.7
210.05304	5.7
211.04037	2.2
211.05971	2.0
214.02646	3.9
215.03442	12.7
216.00648	3.2
216.03809	2.0
217.01382	24.3
218.02016	3.4
219.02887	9.2
222.05315	5.9
223.06093	9.2
224.03223	1.6
224.71060	1.6
225.07632	47.8
226.08017	2.3
229.01332	10.0
230.01651	1.7
231.02919	6.7
239.03366	4.1
239.05659	4.7
242.02165	32.2
243.02972	14.8
245.08151	2.0
246.01727	5.7
255.02988	5.4
257.04562	2.1
269.00894	16.2
273.04135	9.7
274.01221	25.6
275.01370	2.1
281.04410	3.4
284.03287	9.9
285.72278	1.6
289.07294	3.1
297.07629	2.3
301.03516	2.3
307.05988	2.3
309.04025	4.6
311.05798	2.1
323.05557	3.3
341.06659	95.0
342.06805	9.1
349.07169	1.6
349.64978	1.8
351.04971	1.9
357.06161	3.8
367.07962	2.1
383.07928	7.6
389.12268	2.5
393.06171	100.0
394.06601	13.3
401.12253	2.1
403.14072	2.3
419.13425	4.0
425.08817	7.2
449.14465	4.3
451.10358	48.3
452.10721	8.5
483.24005	5.9
493.11093	7.4
503.09839	69.4
504.10342	13.3
535.12299	5.7
536.12903	2.3
613.13477	19.0
614.13739	1.9
645.14685	7.5
645.38763	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	645.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.3
58.79214	0.5
59.01247	2.0
61.11071	0.6
67.97877	0.6
71.01266	1.5
75.58764	0.6
77.27566	0.6
80.04471	0.6
85.02800	0.7
97.16599	0.6
98.20172	4.1
109.52827	0.6
111.08038	3.7
112.46091	0.6
113.02318	1.3
171.10188	1.3
191.05487	0.7
226.53712	0.7
229.26723	0.8
327.23203	3.2
348.39417	0.6
351.23251	0.8
369.24396	5.7
379.25287	0.7
421.31201	1.5
439.32172	56.0
440.32501	11.4
465.30185	3.2
483.31168	100.0
484.31528	17.7
525.32074	2.4
645.36438	10.6
646.37030	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3645
Annotation	Abrusoside A
Peak:m/z	Relative Intensity
51.32638	0.6
57.03321	1.8
59.01242	2.3
60.03082	0.7
61.98721	0.8
63.19942	0.7
65.39313	0.6
71.01247	1.2
71.54134	0.6
78.03680	0.5
85.02812	1.6
89.02328	0.7
90.68764	0.6
91.17290	0.6
95.61833	0.6
107.79979	0.6
109.06516	0.6
111.08035	4.0
113.02359	1.1
136.97701	0.6
175.11342	0.7
185.58990	0.6
199.09737	0.8
209.11792	1.4
309.22131	1.1
315.99954	0.6
327.23209	3.6
328.23569	0.7
369.24429	3.4
370.24365	0.7
419.89590	0.7
421.31061	2.0
439.32166	56.5
440.32538	9.9
465.29947	3.1
466.30234	0.9
483.31161	100.0
484.31516	17.6
525.32184	2.8
645.36591	9.4
646.36847	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	647.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
59.01259	1.4
67.01771	1.1
70.07958	2.2
70.08311	1.3
71.01250	3.1
72.04359	0.8
80.54803	0.8
85.02820	7.8
87.00725	4.5
93.03339	11.7
96.95909	1.1
103.66325	0.7
109.02825	2.1
111.04387	1.9
115.00272	5.4
119.04921	1.7
123.74884	0.8
127.03902	2.6
129.01805	1.6
133.02852	2.6
135.04404	4.7
145.02837	0.8
147.02939	1.9
147.04443	0.7
155.03362	0.9
161.02396	7.3
163.03972	1.4
165.04010	1.0
171.02924	0.9
173.04518	6.6
179.03487	5.4
191.05539	100.0
192.05876	4.4
211.89043	0.9
222.90451	0.7
226.06244	1.5
227.07094	27.3
228.07425	2.2
245.03099	1.0
253.08926	0.9
255.10211	2.0
280.94534	0.8
281.08289	3.7
307.06082	2.1
309.06058	3.4
325.07254	1.3
337.09131	1.1
343.08344	1.5
353.08792	4.9
419.08255	5.3
473.10437	1.1
517.13031	1.8
647.16132	21.5
648.16675	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	647.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.9
59.01238	1.5
63.23948	1.1
70.03913	1.3
71.01236	1.2
71.53087	1.2
71.53442	1.3
81.03349	2.4
83.01261	2.3
85.02866	1.6
87.63373	1.2
93.03336	3.1
97.02782	1.4
109.02852	7.2
111.04421	2.8
121.02859	1.7
123.00790	2.7
124.01559	2.8
125.02345	47.3
126.02664	1.4
137.02353	19.0
139.03918	12.1
151.03903	1.4
159.04353	2.2
164.01070	4.2
165.01903	13.1
166.02631	4.2
167.03421	8.6
177.05475	3.3
179.03450	13.2
191.05589	6.0
191.07080	1.8
203.03473	2.1
204.04230	2.2
219.06522	8.9
221.04596	3.9
261.07657	2.8
305.06656	100.0
306.07040	6.6
339.59555	1.2
460.26657	1.5
647.18634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.8
69.03328	0.9
70.87363	1.0
70.87707	1.2
71.01256	10.2
72.96791	0.9
73.02827	4.5
81.03347	0.9
82.31960	1.0
83.01261	2.5
83.04907	1.2
83.21274	0.9
84.20744	0.9
85.02814	4.3
87.00741	1.1
88.37755	0.9
89.02306	6.8
92.30769	1.2
93.03345	20.3
97.02843	1.3
99.00766	1.5
99.04391	1.2
101.02335	5.5
107.04888	1.3
109.02835	2.2
111.04444	4.3
113.02338	6.3
117.03358	12.5
119.03452	2.6
119.04922	76.5
120.05260	2.6
121.02831	3.0
123.04433	2.0
125.02353	1.6
125.05968	1.4
131.04939	2.5
132.05699	4.5
133.06508	21.2
134.03633	0.9
135.04434	2.6
137.02353	2.9
142.85440	0.9
145.02866	82.9
146.03203	3.1
147.04424	13.4
148.04704	1.3
149.06042	1.1
155.03407	1.7
157.06526	1.6
159.04408	2.7
159.08104	1.3
161.06001	55.9
162.03128	1.8
162.06326	2.4
163.03929	74.6
164.04279	2.6
169.06395	0.9
171.08128	1.0
173.04475	5.5
173.05922	1.6
177.01883	1.3
177.05492	20.5
179.05493	1.0
185.05908	1.0
187.03964	7.2
187.07622	1.5
189.01830	1.3
189.09058	1.1
191.05544	3.5
191.06979	1.8
195.08087	2.5
197.06009	1.0
205.05016	51.9
206.05341	3.3
211.07637	2.6
213.09196	4.9
215.07080	2.5
217.01402	2.8
229.08690	2.5
231.10251	5.1
235.06110	21.3
236.06322	1.6
257.08163	1.3
265.07169	49.8
266.07578	2.7
275.09259	3.7
293.10339	3.7
298.46848	1.1
319.08194	9.8
325.09290	13.4
326.09717	1.4
327.10815	3.4
337.09296	38.5
338.09641	4.2
342.58749	1.0
351.10886	4.2
357.06302	1.4
379.05417	1.8
379.10367	52.5
380.10580	5.5
409.11478	14.4
439.12466	100.0
440.12775	11.5
467.10168	1.5
473.14493	16.1
474.14883	2.2
499.14597	26.0
499.21902	1.5
500.14935	2.6
647.19879	88.1
648.20319	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	647.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	21.4
65.00180	3.5
71.01244	17.5
71.41057	5.8
73.02818	8.3
74.06698	3.5
75.17496	3.7
79.22592	3.6
81.48426	3.8
85.02821	11.2
87.00748	4.2
89.02311	21.4
93.03343	26.0
95.01263	4.4
101.02338	10.1
107.04935	3.7
109.02823	7.8
111.04397	9.1
113.02345	11.4
117.03345	15.3
119.03439	8.2
119.04921	86.3
121.02834	5.3
125.02318	4.3
127.96206	4.0
133.02806	4.0
133.06531	17.3
135.04436	10.0
137.02338	5.0
143.03409	5.1
143.04948	3.7
145.02853	100.0
146.03242	5.8
147.04431	26.5
151.00288	6.4
159.04434	5.0
161.02351	4.1
161.05972	42.4
163.03932	68.7
171.04396	4.8
173.04485	7.0
173.05928	5.4
177.05479	9.8
179.05501	10.5
185.05977	4.4
187.03906	8.8
187.07617	5.9
189.09120	3.6
191.05579	26.1
195.08092	5.3
197.06049	4.4
199.03909	4.7
203.03333	4.4
204.47575	3.9
205.05029	39.2
213.09111	12.6
215.07024	7.3
217.01523	3.7
229.08681	5.4
231.10204	13.1
235.06100	19.4
243.02951	4.6
257.08102	6.1
265.07169	37.1
271.02469	20.7
275.09360	18.1
293.10373	5.1
294.04214	3.7
299.01956	22.3
300.02719	11.2
301.03369	8.6
310.03439	4.0
319.08258	55.8
322.03458	6.8
324.05072	8.3
325.09171	12.5
327.10745	13.7
337.09235	66.4
338.09616	4.2
339.03668	12.2
340.04419	10.4
351.10651	5.1
379.10361	48.0
380.10684	5.8
409.11359	24.4
410.11917	4.0
410.45956	3.6
439.12421	45.9
440.12598	5.2
467.10010	5.3
473.14502	16.4
499.14536	14.6
619.52087	4.3
647.19818	67.5
648.15137	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	647.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03337	0.6
58.00494	0.9
59.01249	3.7
61.98723	1.2
69.03341	0.4
69.88541	0.3
70.30666	0.4
70.68407	0.6
71.01261	3.3
73.02844	0.9
78.95789	0.4
80.02549	0.8
81.03380	1.0
83.01294	0.8
83.04893	4.3
84.02044	0.7
85.02853	0.8
87.00769	0.9
89.02321	2.8
91.03939	0.4
93.03366	0.3
95.04890	0.3
96.95928	0.6
96.96857	0.5
97.02888	0.4
97.06501	0.3
99.00768	0.4
101.02322	3.8
113.02353	1.8
113.03067	0.3
116.92746	0.5
119.03429	1.0
125.02372	0.8
125.06006	0.6
125.09617	4.1
127.11177	5.1
135.08006	0.5
135.11729	0.5
137.09674	0.8
139.11195	0.8
143.03406	0.4
145.04956	0.7
155.10664	1.9
157.12242	0.4
161.04512	1.8
163.11206	3.3
165.09152	2.1
165.12733	1.7
171.10173	2.5
179.05547	0.7
179.10715	2.4
181.12315	0.8
183.10173	1.0
185.11769	0.3
191.10716	1.0
199.08026	0.3
199.09642	2.1
199.13333	0.5
201.11266	100.0
202.11604	4.8
209.11775	93.3
210.12109	5.4
221.11823	0.7
223.09689	0.7
227.12843	13.7
235.08197	4.1
239.12984	0.7
253.09280	17.9
254.09567	1.2
294.84039	0.4
357.20337	0.3
365.23199	0.7
375.21671	2.1
376.21964	0.3
393.22885	1.6
411.23816	0.8
419.18936	0.4
437.20609	1.7
445.20621	1.1
611.31012	0.4
629.30963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	8.3
63.59323	3.2
64.08952	3.5
65.00184	3.7
65.99700	3.9
68.55640	3.1
70.85164	6.6
70.85488	3.2
71.01256	11.7
83.01248	5.2
85.02847	3.8
89.02294	4.8
89.89928	3.9
93.03307	4.4
95.01248	6.5
96.95918	3.6
98.10822	3.3
99.00743	3.9
101.02324	4.5
101.75249	2.9
107.01264	5.3
109.02829	12.2
117.43210	3.4
121.02836	12.8
123.00732	6.2
123.04411	3.3
123.41892	3.0
124.01550	4.1
125.02292	5.0
131.03371	4.3
133.02815	4.5
134.02368	17.0
135.00824	4.7
137.02347	11.5
139.03911	7.2
147.00777	4.2
148.01550	24.3
149.02328	20.1
151.00299	20.3
152.01012	7.4
153.01839	4.2
160.04002	3.4
161.02318	7.5
162.01880	31.0
163.00281	9.2
163.02661	8.0
164.01091	5.5
164.03386	11.3
175.00290	8.2
175.03970	5.6
176.00990	7.4
177.01846	88.0
178.99774	13.2
186.01807	19.4
187.03979	5.7
190.01233	7.2
191.02148	17.5
191.05466	8.2
193.01199	4.2
199.03893	7.2
201.01961	3.3
202.01344	9.0
202.99780	12.4
203.01627	3.6
203.03526	4.5
204.02959	89.6
212.04468	5.2
215.03540	5.5
218.84741	3.6
227.03465	8.3
230.00900	24.6
239.03410	3.6
241.05104	5.2
243.02921	9.6
245.04553	4.0
247.01260	6.1
250.05109	4.2
255.02907	7.7
266.02042	3.8
268.06345	3.9
269.04544	3.9
270.01682	4.4
271.02509	34.4
272.03134	10.0
273.04053	9.3
283.02319	6.5
284.03156	8.0
285.03943	8.3
287.01862	4.4
289.50903	3.5
294.04102	21.9
295.02332	5.9
296.05765	6.0
299.01993	42.1
300.02606	12.1
301.03159	4.7
310.03546	11.0
311.04294	7.2
312.02243	5.5
312.05402	5.4
313.03506	18.8
314.04385	5.4
316.02100	17.8
317.02991	20.8
322.03574	69.7
323.03860	7.2
339.03781	57.3
340.04587	100.0
341.04758	11.0
357.04813	33.4
358.05365	7.4
397.83981	3.8
456.31308	3.3
475.10818	9.3
487.10861	13.0
516.13629	68.0
517.14233	8.7
520.78796	3.8
542.11713	51.1
543.11774	4.6
567.13391	6.1
607.12878	4.7
611.12317	10.8
623.99475	3.6
634.14111	86.2
635.14270	10.8
652.15088	91.4
653.15240	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1515
Annotation	Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
Peak:m/z	Relative Intensity
56.56641	1.2
59.01250	5.0
61.69370	1.1
61.98701	1.5
69.03326	2.7
71.01258	4.9
73.02833	2.7
83.01257	1.7
85.02831	4.5
87.00738	1.7
88.98679	1.7
89.02332	3.3
90.04140	1.4
93.03333	10.4
96.95894	3.5
97.02806	1.9
101.02335	1.6
107.04926	2.0
108.22983	1.2
109.02853	5.1
111.04411	4.6
113.02254	2.3
116.33573	1.1
119.04924	5.5
121.02825	2.1
127.03931	2.2
133.02826	4.6
134.03636	5.3
135.04425	100.0
136.04744	3.6
136.18251	1.1
137.02322	1.1
139.47847	1.2
145.02847	4.4
147.04382	2.9
149.06020	1.5
153.81526	1.1
155.03468	3.2
159.04454	3.2
161.02357	9.1
161.05952	3.1
163.03902	3.4
169.06442	1.7
171.04364	1.7
173.04471	14.0
174.03114	2.7
179.03432	77.2
180.03682	3.3
183.04333	1.8
185.02379	2.6
185.05980	2.7
187.03903	1.8
191.05550	52.9
192.05814	2.4
196.05190	2.5
197.05849	1.6
198.03148	3.8
199.03891	4.1
199.07527	1.8
201.05501	2.2
203.03426	1.6
205.05029	2.0
208.05264	1.2
209.06020	14.9
211.04094	5.8
211.07593	21.7
212.04744	4.2
213.05455	2.9
225.05420	5.9
226.06331	1.9
227.07088	15.4
228.07329	1.5
229.05029	2.7
239.07126	35.2
240.07416	2.6
253.08867	1.8
255.06604	18.8
255.10245	27.1
256.10632	1.9
265.07248	2.0
271.06171	3.7
273.07709	14.8
289.07208	1.4
299.02164	1.9
299.05579	34.1
299.09213	8.6
300.05801	3.2
300.09204	1.3
317.06677	36.1
318.06897	3.1
325.07224	2.8
335.07681	5.0
341.10345	18.5
343.08240	11.4
353.08810	24.8
354.09097	1.9
371.11316	4.6
385.09439	3.6
401.12247	4.9
415.10303	2.6
445.11285	5.1
473.10846	60.7
474.11389	6.8
491.11957	45.6
492.12393	3.4
535.60638	1.6
653.15070	16.3
654.15796	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1728
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
54.49329	0.5
57.37267	0.6
59.01237	0.6
59.65992	0.6
65.00188	0.6
69.56264	3.4
71.01258	0.7
78.72449	0.5
83.27809	0.5
103.06686	0.6
104.34746	0.5
107.01254	0.8
135.00636	0.6
151.00249	3.3
163.00243	1.1
178.99806	0.9
201.01860	0.6
213.01764	1.4
214.02762	1.0
215.03279	1.2
225.01891	0.7
225.47620	0.6
230.02174	5.6
231.02957	1.5
241.01459	4.0
242.02185	10.1
243.02884	4.0
253.76422	0.7
257.00934	2.0
258.01688	10.3
259.02441	4.2
261.00143	0.6
269.00876	1.6
270.01691	9.3
271.02396	5.2
272.03003	1.9
273.04034	9.8
274.01154	2.4
274.04584	1.4
278.21918	0.6
285.04010	2.1
286.01224	11.0
287.01895	7.4
287.05542	2.0
289.07208	0.7
297.00363	0.7
298.01157	2.5
299.01956	2.6
299.05249	0.9
301.03522	12.2
302.04062	2.0
314.00604	1.8
315.01492	15.6
315.05032	0.9
316.01788	1.6
316.05869	2.7
317.06439	1.6
329.03021	59.8
330.03696	21.4
331.04257	1.8
336.00385	0.7
339.45309	0.6
343.04501	1.6
344.05347	38.4
345.06113	43.4
346.06509	4.3
387.07355	1.3
653.17212	100.0
654.17566	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	653.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70185	0.2
62.96285	0.7
63.12040	0.2
68.48541	0.2
69.82211	0.4
69.82626	0.9
74.41795	0.3
78.95779	100.0
86.79434	0.3
89.17908	0.2
96.96880	0.2
98.20163	0.6
106.16194	0.2
126.89337	0.2
127.36804	0.2
135.50452	0.3
149.00008	4.9
159.46561	0.2
179.01067	0.4
205.15935	2.2
255.23293	0.4
285.12637	3.9
286.12924	0.4
344.28018	0.3
355.16821	2.6
385.17868	1.1
400.61078	0.3
417.12329	0.7
447.13419	4.7
448.13791	0.6
653.30139	54.4
654.30505	11.0
654.41669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.03322	1.6
59.01244	5.9
61.98681	2.0
69.03333	2.7
71.01264	6.1
73.02821	19.5
76.93217	1.0
79.78180	1.2
81.03342	2.8
83.04890	7.6
85.02818	3.0
89.02301	2.1
93.03337	54.3
94.03666	2.0
99.00771	4.8
99.04414	6.8
101.02325	3.4
109.02849	2.0
111.04404	22.0
113.02316	2.1
115.74213	1.1
129.01826	2.5
137.02332	15.3
143.03398	4.5
146.69670	1.3
155.03421	9.6
161.04465	1.6
167.10646	1.5
173.04474	100.0
174.04791	4.4
174.06236	1.3
179.14343	2.0
179.21164	1.4
183.13812	4.7
195.13846	4.2
196.13979	1.2
205.12282	5.2
207.10156	1.9
209.11723	5.2
211.13338	67.0
212.13628	3.0
223.13344	51.2
224.13687	3.6
225.11266	2.8
235.08228	1.8
237.93381	1.2
253.09256	5.4
270.82321	1.4
312.36539	1.3
326.06757	1.2
417.26785	1.4
447.22415	4.6
459.22290	4.1
479.28235	2.1
544.95667	1.5
572.38635	1.4
653.23822	2.2
653.33057	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	653.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38721	0.4
55.01739	0.4
57.03315	0.7
59.00998	0.3
59.01250	4.7
59.42019	0.4
61.98714	0.5
69.03310	1.6
71.01254	4.0
71.04874	0.7
71.54127	0.6
73.02821	4.7
81.03318	0.7
83.04898	1.9
85.02827	2.1
87.00715	0.8
89.02320	1.9
92.95707	0.4
93.03336	10.9
99.00742	1.6
99.04376	1.3
101.02325	3.0
109.02811	0.7
109.06463	0.7
111.04398	5.2
113.02341	2.5
114.46656	0.3
119.03423	0.6
125.09602	0.5
129.01822	0.6
137.02299	3.5
143.03374	1.0
149.09627	0.4
151.11269	0.4
155.03412	2.3
161.04456	0.9
165.12738	0.5
167.10690	2.2
167.14336	0.5
173.04465	22.7
174.04771	0.9
177.12822	0.8
179.05539	1.0
179.10695	0.9
179.14362	2.0
183.13817	6.9
184.14221	0.7
193.12283	1.9
195.13849	7.5
195.15601	0.9
196.14288	0.4
205.12263	7.0
206.12598	0.4
207.10196	0.6
209.11761	1.2
211.13335	100.0
212.13670	6.5
222.73750	0.4
223.13345	72.6
224.13702	3.8
235.08170	2.7
253.09270	8.1
312.48206	0.5
346.66571	0.5
360.73065	0.4
399.25754	0.8
417.26770	0.9
429.21289	0.6
441.21362	0.8
447.22510	4.3
448.22815	0.7
459.22269	7.5
460.22693	1.1
479.28104	0.7
552.20184	0.5
567.22729	1.6
635.33447	1.3
653.25903	1.3
654.26617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77095	1.0
55.01760	1.3
57.03312	1.5
57.36370	1.0
58.00480	2.0
59.01252	40.4
61.98700	2.1
68.79386	1.0
69.03331	1.5
71.01255	38.2
71.54019	1.1
71.54402	1.2
72.99182	2.6
73.02818	7.4
83.01263	4.7
85.02825	7.7
87.00751	8.9
89.02322	32.6
95.01262	2.5
97.02812	5.8
99.00774	2.8
101.01701	2.2
101.02325	31.1
103.03895	1.0
113.02332	14.5
119.03411	11.8
125.02338	14.7
139.03926	1.0
143.03401	7.7
145.95477	1.0
161.04449	7.5
179.05522	6.3
213.94237	1.2
221.06575	1.9
235.08185	14.0
238.69106	1.1
253.09276	4.2
255.23279	100.0
256.23611	9.2
263.07690	3.2
274.97684	1.4
287.07635	3.4
305.08737	4.8
323.10095	1.1
343.34958	1.1
397.13501	86.0
398.14020	7.5
415.14566	33.1
416.15036	2.2
447.28217	1.1
592.41321	1.1
624.54407	1.1
653.25793	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47728	1.1
57.03314	2.1
59.01249	19.5
59.90385	1.0
61.98703	1.5
64.39816	1.0
69.03332	2.3
70.68813	2.7
71.01262	14.8
72.97836	1.0
73.02820	2.9
73.05852	1.0
73.35447	1.0
80.02561	1.3
81.03332	3.0
82.41110	1.0
82.75610	1.2
83.01269	1.6
83.04887	4.9
85.02832	4.1
87.00752	3.7
89.02321	8.4
95.01249	1.9
95.04897	3.1
97.02819	5.5
97.06466	2.1
99.00765	2.9
101.02319	11.7
107.04871	1.7
109.05372	1.0
109.06465	18.6
110.03587	1.2
111.04400	1.3
113.02331	7.7
118.77194	1.0
119.03391	2.0
121.06467	1.5
123.08078	1.1
125.02276	1.4
125.09582	4.5
135.08032	3.6
136.05219	1.3
137.06001	4.8
142.02640	1.4
145.04964	1.8
149.06044	1.2
150.06789	1.2
159.13989	0.9
161.04439	4.5
161.09604	1.2
163.11192	12.6
165.05481	6.5
165.12607	1.4
167.14278	1.6
171.10225	6.4
179.10641	1.2
181.12233	3.2
183.13815	8.5
185.11722	12.7
189.09065	2.1
193.12222	2.0
197.11742	1.8
203.14473	2.1
205.12244	3.0
207.10204	46.1
208.10515	2.6
209.11766	31.5
210.12152	3.1
211.13342	100.0
212.13649	6.5
213.14714	1.2
221.11856	1.3
221.15448	3.3
223.13336	3.6
225.11275	35.2
226.11626	3.5
227.12747	3.0
229.12279	1.0
231.13759	1.5
233.11707	3.6
235.08183	10.4
235.13261	1.3
247.13316	5.5
249.14906	3.6
251.12901	5.4
253.09315	11.2
253.83090	1.1
265.14392	2.2
273.14923	1.2
275.12921	1.4
299.15088	1.4
311.23874	1.1
313.24802	1.0
329.24847	2.7
337.21780	1.1
339.23471	7.8
355.22717	3.3
357.24487	3.3
365.21268	2.5
373.23917	9.6
375.25500	2.0
383.22247	22.4
384.22586	2.8
391.24860	8.1
401.23297	35.8
402.23401	4.9
419.24329	17.7
420.24756	2.3
443.19189	2.3
447.22400	3.4
461.20001	6.5
475.26910	1.9
493.31451	5.4
593.28387	1.3
609.32837	9.2
610.33093	1.6
611.30963	2.4
619.31183	8.8
620.31677	1.7
627.33649	3.6
637.32263	83.4
638.32568	14.1
655.33276	32.3
656.33722	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75024	0.1
54.74677	0.1
55.01757	0.2
57.03307	0.1
58.00476	0.2
59.01251	2.3
61.98693	0.4
70.45669	0.2
70.46029	0.2
71.00884	0.2
71.01257	2.0
72.99184	0.1
73.02804	0.4
79.05408	0.2
79.93796	0.1
80.02538	1.2
81.03329	1.2
83.01244	0.5
83.04897	4.2
84.02026	0.3
84.05225	0.2
85.02818	0.6
87.00756	0.5
89.02322	1.2
93.03313	0.2
95.01245	0.2
95.04909	0.7
96.54438	0.1
97.02853	0.3
97.06451	0.2
99.00790	0.1
101.02320	1.8
106.04099	0.1
107.04874	0.1
109.06477	0.9
113.02333	1.0
115.63299	0.1
119.03388	0.4
121.06467	0.2
123.08018	0.3
125.02316	0.2
125.05958	0.4
125.09627	0.7
127.11215	0.1
133.05028	0.1
135.08086	0.7
136.05199	0.6
143.03426	0.1
145.04987	0.3
147.11674	0.1
149.06009	0.2
149.09573	0.2
150.06747	0.3
151.11234	0.1
161.04492	0.6
162.06732	0.2
163.07555	0.2
163.11208	3.7
164.11478	0.2
165.09138	0.7
165.12773	1.8
171.10196	1.8
176.08272	0.1
177.09070	0.2
179.05470	0.2
179.10686	0.2
181.12300	0.8
183.13786	0.2
185.11765	0.8
187.09550	0.2
187.11386	0.1
191.10684	0.9
203.14349	0.2
207.10220	1.2
209.11772	100.0
210.12105	5.7
211.13332	2.5
221.15460	0.2
225.11319	0.7
227.12840	5.6
228.13232	0.3
231.13829	0.2
233.11725	0.2
235.06026	0.1
235.08195	1.9
237.14822	0.1
247.13385	1.4
249.14928	0.8
251.12924	0.2
253.09262	4.6
254.09575	0.2
265.14484	0.7
327.21649	0.3
339.23132	0.3
357.24448	0.2
373.23868	0.3
375.21487	0.1
383.22339	0.8
386.29770	0.1
391.24976	0.1
401.23352	2.2
402.23605	0.3
419.24329	1.5
437.25290	0.2
445.20862	1.1
461.20206	0.2
493.31921	0.4
609.33276	0.2
611.30798	0.2
619.31494	0.5
620.31329	0.1
637.32214	5.2
638.32574	0.9
655.33734	2.1
656.35370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
58.00471	0.7
59.01251	1.4
61.98695	2.3
65.03843	1.1
69.03321	1.6
71.01263	3.4
71.04920	0.5
73.02825	20.4
75.29449	0.4
78.95768	0.6
81.03329	3.2
83.04906	8.3
85.02821	3.9
93.03347	58.4
94.03695	1.8
97.44440	0.6
98.19755	1.4
99.00774	6.8
99.04404	6.6
101.02351	1.1
104.35539	0.5
109.02832	1.8
109.06473	0.7
111.04419	21.6
112.04758	0.6
121.02834	1.0
124.17557	0.5
129.01831	3.1
129.02641	0.6
137.02361	16.2
138.02708	1.0
143.03387	3.2
152.99533	0.5
155.03419	11.1
173.04489	100.0
174.04849	4.1
179.59390	0.5
190.51729	0.6
196.59612	0.5
207.10309	2.4
209.11816	2.0
211.13353	2.6
225.11168	1.1
353.17657	0.6
391.24368	0.5
401.23529	0.6
415.54483	0.5
458.16205	0.6
514.25574	0.5
637.32123	1.2
655.33978	1.0
656.34814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3707
Annotation	Russelioside A
Peak:m/z	Relative Intensity
50.44966	0.4
50.94497	0.4
56.46272	0.4
57.03318	1.5
59.01249	1.7
61.98681	0.5
70.31483	0.5
71.01269	1.2
71.41836	0.5
73.02821	0.6
78.95776	1.3
80.04811	0.5
83.04876	0.6
87.00738	0.7
91.00442	0.4
95.74161	0.5
101.02301	0.7
105.62878	0.4
109.06485	0.6
111.08094	0.5
121.06490	1.5
122.03609	1.2
123.04405	0.6
125.02368	0.5
125.09739	0.4
135.04449	3.0
136.05217	33.3
137.05640	1.5
147.08138	1.1
148.05214	0.7
149.05998	8.1
150.06781	4.3
152.99448	0.6
157.08669	0.5
161.29375	0.4
162.06784	3.4
163.07567	1.6
163.11142	0.7
164.08337	4.0
165.09148	15.3
166.09486	0.7
171.10240	1.5
176.19212	0.4
177.09167	0.9
179.07112	0.7
179.10727	0.8
207.10204	0.7
209.11792	7.3
211.13361	2.0
225.11151	0.5
227.12845	4.0
235.08134	0.4
241.14265	0.5
249.14928	0.4
253.09213	0.9
281.21246	1.1
302.46066	0.5
309.14609	0.4
327.21872	5.7
328.22171	0.6
383.22324	0.7
391.24924	0.5
401.23358	1.3
414.27631	0.7
419.24435	1.1
429.30148	0.9
430.31064	0.5
432.28708	3.0
446.30325	1.7
447.31189	12.5
448.31390	1.5
457.29691	0.7
474.29733	1.2
475.30399	3.5
478.33188	0.4
492.30145	2.9
493.31604	23.7
494.32147	4.4
535.32697	0.7
591.25995	0.6
623.28003	0.8
637.32416	3.1
638.32526	0.6
655.37024	100.0
656.37372	18.1
656.48462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47470	3.8
59.01246	5.1
65.00196	7.2
67.01753	3.6
85.02837	6.1
95.01236	5.6
107.01319	8.0
111.00761	7.7
117.03362	4.2
123.00740	8.6
125.02327	13.9
137.02330	5.2
139.00270	12.8
151.00293	31.4
153.01886	5.4
154.99741	10.5
159.04372	4.7
163.00308	9.2
164.00984	3.9
164.98186	6.2
165.01775	6.3
166.99762	6.0
168.00607	4.3
175.03810	6.0
177.01845	6.0
177.98993	6.0
178.99783	61.7
181.10094	4.0
181.98465	6.7
185.02377	4.5
187.03951	7.6
189.01875	8.9
190.02673	4.6
190.99736	4.5
191.03690	7.0
191.05539	65.0
193.01346	12.2
201.01820	7.6
203.03456	15.3
205.01408	6.0
206.99362	6.6
213.01828	4.6
215.03477	10.8
217.01372	7.4
218.02222	6.1
219.02971	6.3
221.00888	6.3
226.83305	4.5
231.02919	17.1
232.03448	4.3
233.00864	5.9
233.04454	4.8
233.40529	4.1
243.02922	5.8
245.00926	7.1
257.00842	7.9
259.02411	18.9
261.00323	10.7
274.01025	4.7
285.00409	9.4
287.01938	51.1
302.00571	5.8
303.01538	28.6
304.02087	11.4
312.99911	17.9
315.01550	18.2
316.02045	18.9
317.02792	9.9
331.00977	100.0
332.01410	8.9
337.09430	10.6
348.01105	13.5
349.01886	5.3
412.54813	4.7
479.08490	5.3
489.40814	5.0
505.12177	8.5
517.12042	6.8
574.17377	4.5
585.14026	3.9
613.14325	8.0
639.12079	32.6
640.12427	8.5
657.13171	42.1
658.13348	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	657.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.3
57.42432	0.2
58.00483	0.3
59.01260	3.2
69.03299	0.3
71.01263	2.3
71.02679	0.4
73.02811	0.6
80.02554	1.3
81.03334	0.9
83.01275	0.3
83.04904	5.3
84.02050	0.8
85.02825	0.7
87.00765	0.3
89.02330	2.0
95.04960	0.3
96.73673	0.2
97.06449	0.3
101.02331	2.4
109.06422	0.3
113.02358	1.2
125.02328	0.3
125.05983	0.4
132.14670	0.2
135.08064	0.4
143.03413	0.6
145.04974	0.3
145.10211	0.3
161.04471	1.1
162.25362	0.2
163.11203	3.5
163.66988	0.2
165.05487	0.4
165.12814	2.2
167.14317	0.4
171.10207	1.5
179.05576	0.6
181.12256	0.9
183.13850	5.1
184.14120	0.3
191.10741	1.0
193.12231	1.3
199.13393	0.6
209.11794	100.0
210.10097	0.3
210.12117	6.1
211.13356	84.9
212.13705	6.0
227.12869	14.5
228.13202	1.1
235.08199	2.7
249.14925	1.0
253.09279	8.9
254.09512	0.5
403.24905	0.7
413.30566	0.2
421.26160	0.4
445.20728	1.2
447.22382	2.9
448.22812	0.3
463.21652	0.6
495.33386	0.7
617.06555	0.3
621.32886	0.8
639.33777	0.7
657.33954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71279	0.3
55.01758	0.3
59.01252	3.4
59.66180	0.2
61.16993	0.2
69.03333	0.5
70.92081	0.4
71.01250	2.9
73.02810	0.8
78.48405	0.2
80.02534	0.7
81.03332	1.0
83.01257	0.6
83.04897	3.8
84.02052	0.8
85.02814	0.9
87.00741	0.5
89.02333	1.9
95.01282	0.4
95.04898	0.5
100.56006	0.2
101.02329	2.7
109.06490	0.3
111.08064	0.3
113.02319	1.4
116.30105	0.2
118.68137	0.2
125.02300	0.3
125.05964	0.5
135.08037	0.8
145.04936	0.5
161.04459	1.1
163.11211	3.2
165.12747	2.4
167.10701	0.2
167.14346	0.6
171.10168	1.5
179.05486	0.7
181.12274	0.7
183.13844	5.8
184.18533	0.2
191.10718	0.8
193.12276	1.6
193.28233	0.2
199.13380	0.5
203.79865	0.2
209.11780	100.0
210.12125	7.2
211.13345	93.3
212.13678	6.0
212.15604	0.4
218.52386	0.2
227.12851	14.1
228.13206	1.2
235.08214	3.0
236.08647	0.4
249.14986	1.4
253.09290	10.4
254.09654	0.4
323.26666	0.3
346.74628	0.3
385.23816	0.5
403.24823	0.7
421.25693	0.4
429.21002	0.4
445.20804	1.0
446.20987	0.3
447.22278	2.6
448.22977	0.3
463.21545	0.3
532.47302	0.3
621.32898	0.5
639.34216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89428	0.2
56.49992	0.2
59.01254	3.5
60.30092	0.2
62.38779	0.2
69.03334	0.4
70.30088	0.9
71.01261	3.0
73.02803	0.9
80.02544	0.8
81.03334	0.8
83.01259	0.5
83.04900	4.1
84.02038	0.5
85.02827	0.8
87.00767	0.6
89.02319	2.1
95.01275	0.4
95.04905	0.4
95.35916	0.3
101.02325	2.6
109.06449	0.3
113.02345	1.7
119.03406	0.8
125.05938	0.5
135.08090	0.4
137.05968	0.3
145.04994	0.5
161.04472	1.1
163.11209	3.4
165.05522	0.3
165.12782	2.4
167.10687	0.5
167.14380	0.6
171.10188	1.8
181.12273	0.7
183.13852	7.0
184.14020	0.4
191.10724	0.9
193.12267	1.5
199.13275	0.7
209.11780	93.8
210.12126	6.4
211.13342	100.0
212.13687	7.4
212.15210	0.2
227.12851	15.9
228.13174	0.9
235.08188	3.1
249.14984	1.7
253.09283	9.0
341.24680	0.3
385.23914	0.4
403.25104	1.2
421.25818	0.6
429.21573	0.3
445.20758	1.2
447.22379	3.3
448.22766	0.7
463.22150	0.5
469.26837	0.3
495.32919	0.7
621.32568	0.7
622.33276	0.4
639.33746	1.1
657.34729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87096	0.8
59.01240	1.3
61.98675	1.4
69.30334	2.0
69.30737	3.9
71.01244	1.0
87.00773	1.1
89.02344	0.8
93.03330	0.8
95.04906	0.7
96.95914	0.9
97.06483	1.2
98.20591	1.5
107.01225	1.0
111.08030	1.0
111.50829	0.7
121.02853	0.8
121.06488	1.2
122.03632	1.3
123.04456	0.9
123.08034	2.1
125.02321	1.9
135.04402	1.7
136.05205	25.8
137.05573	0.6
148.05167	1.5
149.05975	3.7
150.06779	3.9
151.00249	3.2
151.07545	1.3
162.06772	1.6
163.07555	2.2
164.08350	2.1
165.05411	1.1
165.09129	23.3
166.09392	1.3
178.99736	1.4
195.06590	0.9
257.35782	0.7
271.02399	2.3
300.02863	3.7
301.03506	8.8
302.03964	1.0
307.18994	1.3
321.20807	0.9
329.19669	12.2
336.19373	2.7
413.26892	1.6
431.27982	2.5
449.29047	0.8
463.07767	1.7
477.28616	3.3
494.28741	2.0
495.29395	32.3
496.29846	5.3
657.34930	100.0
658.35229	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09841	0.5
56.65731	0.5
57.03327	0.8
59.01235	1.7
61.98687	0.6
71.01241	1.4
71.25550	1.0
78.95754	0.7
83.04871	0.9
85.02796	0.8
86.89759	0.5
88.39695	0.5
93.88894	0.6
99.04374	1.0
111.04383	0.6
121.06477	0.8
125.02373	0.8
135.04385	2.3
136.05206	31.3
137.05768	1.2
137.09564	0.6
149.05995	8.0
150.06779	10.1
153.37801	0.5
162.06824	2.9
163.07549	7.0
164.08316	4.6
165.09128	16.6
171.10098	0.6
177.08958	0.5
179.07085	0.7
179.10716	3.7
183.13826	0.9
209.11780	16.5
210.12079	1.4
211.13345	15.2
212.13661	0.9
227.12872	2.4
253.09256	1.5
257.12793	0.6
295.60248	0.6
301.12015	0.8
313.06671	0.7
325.61081	0.6
329.23334	7.0
431.31671	1.4
434.30325	2.5
448.31656	1.0
449.32693	12.1
450.33038	1.9
476.31259	1.2
477.32001	3.0
480.34595	1.8
494.31033	1.0
494.35855	4.5
495.33411	22.0
496.32877	3.1
560.18500	0.6
657.38550	100.0
658.38885	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03312	0.4
59.01258	2.6
62.02589	0.3
69.03310	0.4
69.44533	0.9
69.44953	1.3
71.01256	2.7
78.23138	0.3
80.02549	0.4
81.03337	0.6
83.01266	0.4
83.04908	2.2
85.02863	0.4
87.00737	0.4
87.04391	0.5
87.58147	0.3
89.02311	1.0
98.19772	0.5
101.02320	1.8
109.06467	0.4
113.02345	0.8
119.03438	0.3
123.00794	0.5
123.04440	0.4
135.04443	0.8
135.08072	0.6
136.05157	0.3
137.05984	51.0
138.06363	1.8
145.04987	0.5
149.06015	0.5
150.06769	0.3
151.03909	1.0
152.04684	1.3
152.14113	0.3
153.05548	0.4
161.04497	0.9
162.77042	0.4
163.07541	0.7
163.09938	0.3
163.11223	1.3
165.05490	58.5
165.12733	0.9
166.05835	2.9
171.10167	0.9
173.06006	0.4
175.06902	0.3
177.05598	0.4
183.13823	2.8
189.09210	0.6
191.07050	1.8
191.10661	0.5
193.12274	1.1
199.13329	1.3
209.11778	41.5
210.12184	2.8
211.13341	53.5
212.13718	3.9
225.11205	0.5
227.12856	10.7
228.13326	0.6
235.08282	1.7
249.15019	1.0
253.09277	5.0
306.50464	0.4
385.23041	0.4
389.26859	0.5
391.25113	0.8
403.24707	1.3
421.25800	0.6
445.20935	0.6
447.22397	1.8
459.31128	0.8
463.21399	0.6
475.30716	0.5
477.32101	3.0
478.32889	0.5
480.30936	1.4
493.32101	0.4
495.33270	100.0
496.33603	14.3
583.35205	0.5
597.36261	0.8
621.33069	1.0
639.34241	1.2
657.38617	8.4
658.38153	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	658.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	3.6
62.22837	0.8
71.41042	1.4
78.95776	1.2
96.96874	0.8
98.46932	0.7
125.57123	0.8
130.70369	0.6
151.00281	6.1
161.36548	0.7
163.00291	1.5
178.99786	3.0
183.04460	0.8
199.04031	0.8
226.02652	0.7
227.03424	0.9
243.02960	6.5
244.03583	0.9
254.02119	1.4
255.02963	16.6
256.03290	1.5
271.02478	38.8
272.02921	4.1
283.02216	0.9
299.02090	1.4
300.02740	100.0
301.03311	16.0
302.03876	0.7
407.65768	0.7
532.96497	0.8
595.13049	59.0
596.13342	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	658.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98970	1.4
58.15493	1.5
66.41502	1.1
69.66702	6.4
74.02367	1.8
85.02835	7.6
85.46906	1.4
87.00757	2.5
89.80798	1.3
93.03305	2.6
99.05511	1.9
99.80971	1.5
127.03906	1.8
127.04807	1.3
128.03397	5.0
133.02843	2.3
137.00531	2.4
143.04515	6.3
145.06094	1.6
160.01530	3.9
165.00035	6.3
167.01663	9.8
191.05550	100.0
192.05864	4.5
192.99585	63.9
193.99947	3.3
210.08688	1.9
211.00647	4.4
243.20270	1.5
254.07816	3.8
272.08853	15.8
385.05981	39.2
386.06372	3.4
425.75473	1.4
466.09216	12.3
467.09750	1.5
583.46283	1.6
658.15442	10.1
659.15881	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	659.162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.7
70.72502	1.6
79.50326	0.6
85.02830	7.3
87.00749	1.5
93.03345	2.2
125.02349	1.5
127.03890	2.0
135.04382	0.9
137.02342	1.6
139.03831	0.8
139.36766	0.6
161.02342	1.4
173.04497	0.9
179.03441	0.8
191.05542	100.0
192.05888	4.2
213.86894	0.6
218.49680	0.7
305.06604	2.0
331.84415	0.7
335.58371	0.6
353.08777	8.7
354.08881	0.8
453.19775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.0
57.52526	0.9
59.01249	10.8
61.98689	1.3
69.03335	0.8
71.01249	8.6
71.54252	1.2
73.02816	1.4
78.95772	1.1
80.02541	1.5
81.03326	2.1
83.01270	2.0
83.04473	1.1
83.04890	7.0
85.02837	2.5
87.00740	3.0
89.02303	4.6
93.03353	1.1
95.01215	0.9
95.04893	3.3
97.02823	1.2
97.06477	4.3
101.02322	7.4
109.06467	1.4
113.02335	2.5
119.03373	1.4
125.09666	0.9
135.08069	1.2
137.05957	0.9
149.09634	1.1
151.11189	21.5
161.04469	2.4
163.11172	3.4
164.11552	0.9
165.12717	2.6
167.10692	1.6
169.12257	91.2
170.12604	5.6
171.10139	3.8
172.39966	0.9
173.04538	1.0
181.12268	1.9
183.13678	1.0
185.11668	4.2
191.05627	0.9
191.10767	1.1
195.10228	5.1
197.11707	2.3
199.13278	2.1
209.11775	92.2
210.12126	13.0
211.13464	12.7
212.13663	8.2
213.11296	20.4
213.13660	1.5
225.11240	1.3
225.14932	3.0
227.12823	15.2
228.13211	2.4
235.08195	3.7
237.11606	0.9
247.90839	1.0
253.09270	7.8
287.15002	1.2
426.90625	1.0
431.19052	4.3
445.20773	1.1
449.20093	11.9
450.20581	1.9
497.34082	1.7
597.36145	1.4
615.37268	5.7
627.24988	1.3
641.31659	4.6
659.32825	100.0
660.33301	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	659.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22620	0.5
57.03322	0.6
59.01250	1.3
61.98688	0.4
69.20356	4.1
69.75976	0.4
71.01272	0.9
71.04893	0.6
73.02816	0.5
87.00759	0.9
96.95908	0.8
98.20562	0.9
99.04380	0.6
99.07980	0.5
101.02337	0.6
109.02845	0.7
111.04414	0.9
113.09576	0.6
121.06484	1.4
122.03622	1.0
123.04359	0.6
123.08035	1.4
125.02310	0.5
135.04387	1.6
136.05203	37.9
137.02304	0.5
137.05730	1.0
138.03108	0.5
141.09065	0.9
143.10680	1.0
147.08063	1.0
148.05183	1.2
149.06001	6.0
150.06741	2.9
151.07523	0.7
153.09157	0.8
157.59554	0.4
162.06792	1.8
163.07523	1.9
164.08356	2.6
165.09123	31.6
166.09453	1.9
167.03278	0.5
179.07106	0.8
191.05507	1.3
198.73549	0.5
217.35095	0.5
277.80457	0.4
307.19064	0.6
329.23315	0.6
331.21265	13.6
332.21500	1.2
425.62265	0.4
433.29376	0.9
436.28091	0.7
451.30640	6.6
452.30832	1.3
463.08829	0.6
479.30267	5.1
480.30630	0.9
481.32306	0.5
496.30374	3.3
497.31128	33.8
498.31631	4.9
539.31415	0.6
659.36475	100.0
660.36798	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
60.01587	0.8
63.96763	0.6
78.95798	0.8
98.20586	1.3
110.92041	0.6
117.91176	0.8
165.42960	0.7
199.13370	0.9
200.13531	0.6
206.07193	0.6
209.83394	0.6
211.16574	0.7
259.39774	0.6
337.89359	0.6
344.49707	0.6
345.47055	0.7
435.68338	0.8
439.05649	0.7
439.14691	0.7
471.49622	0.8
506.52698	0.7
561.13977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.4
61.98701	3.0
63.25470	1.2
71.01274	2.1
71.53876	1.8
71.54623	1.5
80.04926	1.9
82.02859	3.3
83.04906	1.5
85.18929	1.4
89.02316	2.9
94.02864	30.4
96.04425	2.2
101.02306	1.6
108.04424	1.3
108.08069	4.8
109.92152	1.4
112.81464	1.3
120.08093	20.8
121.05202	3.3
121.08419	1.5
132.04405	2.8
134.06000	3.1
136.07584	100.0
137.07916	3.3
138.05502	16.5
153.04192	2.6
165.12508	1.5
171.10165	5.0
174.05482	2.3
190.04999	3.3
197.11784	26.2
201.11224	6.8
209.11781	28.1
210.12027	2.5
211.12256	2.1
223.08748	7.5
224.09558	1.6
227.12784	5.3
229.13562	2.9
235.08473	2.5
236.09564	1.8
237.10210	7.7
238.11040	4.7
239.11859	4.8
249.06548	1.8
249.10341	1.7
250.07278	1.9
251.08217	2.7
251.11794	5.1
253.09239	4.2
253.13326	1.8
263.08264	5.5
263.11807	1.9
264.09079	6.5
264.12384	1.4
265.09698	4.4
271.10825	4.0
276.09070	2.0
277.09714	4.2
278.10617	4.8
279.11389	27.0
280.12018	3.6
281.13019	1.8
291.11395	5.8
292.12085	2.7
293.12909	2.6
295.10712	1.5
307.10864	3.0
322.09250	1.9
323.10287	3.0
324.10956	2.8
325.11743	2.3
373.54514	1.9
386.18808	6.5
387.19299	2.7
388.20764	1.5
401.21371	2.2
426.18036	2.3
427.18674	3.3
428.19901	11.2
429.20428	3.6
430.17053	1.6
432.19162	6.3
433.20117	3.2
445.20084	5.7
446.20865	5.4
455.18301	3.5
472.18658	13.2
473.19379	14.6
474.19806	2.4
504.21298	18.0
505.21719	2.8
525.25250	4.3
567.26251	6.9
569.24036	8.2
585.27283	7.4
601.26721	4.7
611.24988	17.7
612.25488	3.9
629.26184	89.8
630.26550	18.5
643.27533	7.2
661.28442	21.2
662.29413	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	661.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00499	3.8
59.01259	32.7
59.53764	4.0
61.20895	3.5
61.98692	13.5
71.01250	35.7
77.07203	3.3
77.77295	3.4
78.95737	4.1
80.96358	4.4
83.90715	3.4
89.02319	43.6
101.02316	15.1
113.02327	11.9
119.03370	7.3
121.73724	4.2
131.03355	6.7
153.01143	3.5
156.26840	3.5
179.05530	13.8
180.07265	3.5
191.05655	3.7
216.47339	4.0
252.79112	4.1
266.56671	4.0
347.12024	4.0
379.26437	25.4
423.25391	100.0
424.25638	16.8
463.34467	8.4
481.29611	10.1
499.30823	22.0
500.30655	5.5
563.29962	4.9
577.27136	7.3
620.08173	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	661.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.2
59.01251	4.4
61.98701	5.5
69.94407	6.3
70.68560	1.7
71.01266	2.2
78.95803	2.3
85.02834	2.1
89.02316	1.7
98.19841	1.9
109.06461	1.6
111.04411	4.3
116.90034	1.4
129.05469	2.1
143.99142	1.9
145.21844	1.4
277.21985	1.6
327.23282	1.5
341.10895	3.1
369.24362	76.5
370.24774	9.6
455.31671	5.4
467.28522	1.8
499.30728	100.0
500.30997	15.7
661.35687	9.5
662.36517	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07901	2.6
59.01253	30.6
61.98701	6.4
69.26561	23.0
71.01256	32.3
78.95790	5.5
80.96403	3.1
83.85050	2.4
85.02862	4.2
89.02320	43.3
94.97974	2.4
96.95958	2.6
101.02340	13.4
110.74631	2.6
113.02331	7.5
114.09595	2.6
119.03374	6.2
134.57568	2.5
143.03369	3.0
149.04373	3.5
161.04427	4.1
165.05466	5.6
179.05501	10.2
379.26495	21.8
393.24454	3.1
423.25421	100.0
424.25809	15.6
463.34262	8.6
481.29520	11.8
499.30539	26.9
500.30930	4.3
509.23944	2.8
577.26752	5.8
625.38623	3.0
661.34692	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	663.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99174	1.0
67.01760	2.7
69.03340	0.6
70.92216	1.6
71.01263	1.2
73.62452	0.6
77.49914	0.7
81.03358	0.8
83.04877	0.9
85.02848	4.9
87.00748	4.7
93.03348	18.6
94.03658	0.7
98.19920	0.7
111.04415	2.8
119.04941	6.2
127.03939	0.7
133.02867	0.8
137.67589	0.6
145.02847	1.8
147.79091	0.6
163.03918	7.1
165.03990	1.1
173.04498	5.9
191.05565	100.0
192.05867	3.1
235.32422	0.6
337.09323	26.1
338.09689	2.7
355.35843	0.6
358.22095	0.6
603.43347	0.7
663.19208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69320	0.5
59.01254	1.2
67.01757	1.5
71.01266	0.5
71.54063	0.7
75.00770	0.7
85.02834	3.9
85.58585	0.5
87.00757	3.0
93.03342	10.9
94.03655	0.8
109.02843	0.8
111.04409	2.3
119.04919	4.4
127.03910	1.2
133.02855	0.5
141.03149	0.5
145.02875	1.0
149.04472	0.6
156.70750	0.8
161.02383	0.7
163.03944	4.1
165.04001	3.7
166.36574	0.6
166.49240	0.7
173.04529	2.7
191.05548	100.0
192.05884	5.1
193.06033	1.0
239.38452	0.6
282.26794	0.5
298.26123	0.5
311.07870	1.9
333.13715	0.7
337.09305	15.5
338.09692	2.1
339.09851	0.8
353.08771	10.7
354.09149	0.7
665.17426	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	665.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22739	0.8
59.01228	1.2
71.01270	1.0
71.25007	1.4
77.47015	0.9
79.88512	0.8
85.02821	6.4
87.00770	2.1
92.85985	0.9
93.03335	3.9
111.04428	1.3
119.04919	6.2
135.03429	0.9
135.04453	1.5
147.04512	1.1
161.02307	2.1
163.03906	9.7
165.04021	1.3
170.21582	0.9
173.04474	1.9
183.47165	1.0
191.05540	100.0
192.05891	4.0
311.07730	4.6
327.11014	1.2
353.08789	20.7
354.08914	2.1
507.91559	0.9
525.88239	0.9
546.88806	0.9
634.53333	0.9
665.18628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
60.99168	1.4
67.01752	2.5
71.01252	1.4
71.54105	0.6
75.64580	0.7
85.02811	5.1
87.00758	4.2
93.03342	14.8
94.03739	0.9
99.04408	0.8
106.67450	0.6
111.04401	2.5
119.04915	4.7
127.03883	1.4
129.01901	0.8
135.04437	0.9
145.02846	0.9
151.78897	0.6
160.50156	0.7
161.02382	1.2
163.03912	6.4
165.03938	3.1
173.04457	5.1
178.26631	0.6
191.05550	100.0
192.05888	5.1
193.06100	0.6
222.47418	0.7
267.00113	0.6
301.51126	0.6
337.09308	14.4
338.09708	1.6
340.72757	0.7
353.08701	4.4
390.16544	0.7
488.37830	0.8
665.18231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63532	0.7
55.01754	2.9
57.03319	1.5
58.00466	1.0
59.01250	34.0
61.98679	1.4
68.99708	0.9
69.03329	3.1
69.25990	6.0
71.01254	31.9
72.99185	3.0
73.02819	6.1
79.01749	4.5
81.03329	2.5
82.04805	0.7
83.01257	20.4
85.02824	13.6
87.00770	1.7
87.04372	1.1
89.02322	12.2
93.03371	1.0
95.00648	1.0
95.01257	17.7
95.01821	1.3
96.95896	3.1
96.96889	0.7
97.02849	2.8
98.50984	0.9
99.00764	6.2
101.02322	22.4
102.83337	0.8
103.00249	3.5
107.01265	1.4
111.00733	4.7
113.02332	22.7
119.03397	5.4
123.00783	1.6
123.04401	1.3
124.01611	1.0
125.02345	12.0
126.90338	3.1
127.00279	17.4
127.01219	1.2
127.05049	2.4
128.00667	0.9
128.03413	1.2
137.02397	1.1
139.00259	10.3
143.03383	2.0
151.00256	1.6
157.01341	1.8
161.04507	4.0
167.03421	3.0
169.01358	1.9
173.04475	0.9
179.05554	1.6
187.02367	1.4
191.05515	1.6
196.31679	0.7
201.11288	3.7
209.11761	2.3
229.03540	1.1
247.04564	3.5
289.06155	0.8
399.23898	1.5
417.24985	3.7
459.25360	1.0
518.32898	0.9
527.24994	100.0
528.25299	16.2
557.25934	9.7
558.26373	1.6
569.26575	4.0
579.29547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.0
57.03300	2.4
59.01257	94.8
69.19266	13.7
71.01260	48.8
71.85155	1.3
72.99188	4.0
73.02832	12.4
75.00736	2.0
83.01276	9.4
85.02827	24.1
87.00764	3.9
89.02324	27.2
93.43052	1.5
95.01273	4.5
97.02832	3.3
99.00745	5.1
101.01698	2.4
101.02335	46.9
102.02686	1.8
113.02345	28.0
119.03387	12.1
125.02328	6.1
143.03401	4.4
159.02921	2.3
161.04454	11.0
173.04523	1.8
178.06606	1.7
179.05560	7.3
191.05539	1.9
215.43271	1.4
299.29047	1.6
399.24133	7.9
399.28363	1.5
417.25064	17.8
418.25217	1.8
459.26166	13.3
460.26926	2.2
478.65216	1.6
561.29382	14.5
562.29523	2.7
579.30219	100.0
580.30481	17.8
621.31281	52.9
622.31604	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	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
57.03308	2.2
58.00462	1.2
59.01254	32.2
67.01746	1.3
69.03314	2.7
69.31644	0.7
70.59113	0.8
71.01254	32.0
71.54810	0.8
72.99171	2.2
73.02821	6.8
79.01760	3.2
81.03323	2.2
83.01262	23.4
83.04901	1.0
84.01595	0.7
85.02345	1.1
85.02832	14.9
87.00761	2.0
87.04371	1.8
89.02315	12.3
93.03319	1.0
95.01271	17.7
96.01580	1.3
96.95901	2.0
97.02818	3.5
99.00771	6.3
101.01698	1.5
101.02326	22.2
103.00240	3.1
107.01270	1.8
111.00762	5.8
113.02335	24.5
117.31157	0.8
119.03400	6.4
123.00758	1.1
125.02335	13.9
126.02871	0.9
126.90331	0.8
127.00259	19.3
127.05036	1.4
129.01904	0.8
133.05461	0.8
137.02382	0.8
139.00249	9.5
143.03342	2.1
151.00305	1.0
155.03398	0.8
157.01366	1.8
159.02942	1.2
161.04468	4.2
167.03362	2.6
169.01392	1.2
173.04453	0.9
185.04495	1.3
187.02388	1.1
191.05603	1.0
201.11259	3.0
203.05423	0.9
209.11890	1.1
229.03471	1.5
234.26405	0.8
247.04547	3.5
253.09129	1.1
336.96423	0.7
399.23862	1.8
417.25040	4.2
438.97012	0.8
459.26230	1.3
485.24313	1.2
527.24976	100.0
528.25354	16.3
557.26086	11.1
558.26361	2.2
569.25995	3.0
579.30225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96437	0.9
52.57059	0.9
57.03330	4.0
59.01255	6.8
61.98711	7.9
69.45129	6.7
71.01257	5.5
73.02808	1.8
74.55866	1.0
78.95773	1.0
80.02551	1.9
81.03304	1.1
83.01212	1.0
83.04888	4.3
85.02834	1.5
87.00724	1.3
89.02313	4.2
94.38676	0.9
95.04871	1.1
97.02846	1.0
97.06474	12.4
101.02322	5.1
113.02314	3.0
116.92771	1.4
119.03413	1.8
123.08056	9.2
125.09616	91.7
126.09956	2.9
129.51825	1.0
143.10687	1.3
161.04480	2.1
163.11201	2.5
169.08620	2.0
179.05618	1.0
187.09679	63.1
188.09947	3.8
191.05592	1.4
209.11781	49.6
210.12163	1.8
227.12828	4.3
252.42873	1.0
253.09290	4.2
405.17816	4.6
423.18634	12.9
424.19077	1.7
494.74472	1.0
534.77631	1.1
591.52069	1.2
615.29944	5.5
633.31305	100.0
634.31604	17.7
665.34778	2.9
666.33655	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	667.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
64.58980	0.3
71.01252	0.8
71.54152	0.3
81.03321	0.3
83.04884	0.3
85.02347	0.5
85.02828	6.1
87.00762	1.4
93.03343	3.2
99.04366	0.3
102.84551	0.3
111.04400	0.9
118.97910	0.3
119.04921	1.7
123.04385	1.3
127.03896	1.4
145.02812	0.9
147.61908	0.3
152.84453	0.3
163.03909	1.5
166.59792	0.3
167.03456	2.5
171.02928	0.8
173.04462	1.2
189.83400	0.3
191.05540	100.0
192.05885	3.5
209.04518	0.3
219.45526	0.3
329.08759	0.7
337.09296	20.4
338.09601	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	667.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52939	1.3
58.00462	4.0
59.01255	75.6
59.06862	1.5
64.02939	1.4
71.01258	41.9
71.01650	2.2
71.54443	2.0
72.99166	8.8
73.02827	32.3
75.26050	1.3
83.01242	1.8
85.02834	18.1
87.00761	11.7
87.04400	2.7
89.02328	35.6
90.38103	1.5
96.95915	1.7
99.04413	2.2
101.02335	79.6
101.42817	1.4
102.02604	2.1
103.03896	35.3
104.04198	1.5
113.02337	2.4
115.03899	5.5
119.03397	15.2
125.02329	2.2
127.03919	3.6
131.03397	11.9
135.04509	1.8
143.03404	16.0
145.02864	2.0
145.04977	10.4
147.40750	1.6
163.06044	100.0
164.06345	4.0
170.48894	1.8
191.05637	2.0
205.07129	37.1
224.04721	2.2
227.07159	3.7
241.08499	2.0
255.10202	6.0
265.09183	3.4
266.05777	1.8
269.11807	2.4
270.12506	1.7
283.09814	24.3
284.10245	3.8
294.08804	1.9
295.09543	2.2
296.10684	2.6
298.12061	2.3
310.11945	1.9
311.09268	62.4
311.12833	3.6
312.09610	6.6
325.10846	7.3
326.11575	32.2
327.11942	2.8
341.13965	69.6
342.14182	7.8
403.08307	1.6
410.59335	1.5
438.54279	1.6
627.09833	1.6
667.22687	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	669.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04778	0.3
50.45705	0.3
57.03320	0.5
58.65984	0.3
59.01257	5.5
66.04497	0.3
69.03344	2.0
71.00890	0.3
71.01257	4.0
71.04883	1.0
73.02802	0.6
75.28153	0.2
80.02552	1.7
81.03347	1.2
81.29147	0.2
83.01251	0.5
83.04903	4.9
84.02031	1.1
85.02827	0.7
85.06465	0.6
86.43077	0.2
87.00758	0.9
89.02327	2.3
93.03342	0.3
95.01235	0.3
95.04901	1.0
97.06470	0.6
101.02327	3.2
103.72289	0.3
105.72952	0.2
109.06465	0.8
110.31585	0.3
111.08015	0.4
113.02375	1.7
119.03390	0.9
123.08035	0.3
125.05942	0.4
125.09600	0.6
135.08063	0.6
143.03476	0.4
145.04964	0.5
149.09625	1.0
161.04466	1.2
161.13216	0.5
163.11218	4.4
165.12794	2.6
167.10690	2.7
171.10208	2.2
177.12802	0.7
179.05469	0.5
179.10722	1.1
179.14365	2.6
181.12265	0.3
191.10695	0.9
195.12061	0.4
195.13855	9.2
196.14265	0.4
199.13336	0.3
205.12292	8.3
206.12601	0.8
209.11792	100.0
210.10294	0.5
210.12129	6.6
223.13373	90.2
224.13708	6.1
227.12852	16.1
228.13202	0.8
229.84314	0.4
235.08182	4.8
253.09282	11.1
254.09613	0.4
261.14911	2.3
315.32028	0.3
397.24292	0.6
415.25070	0.7
433.26126	0.4
441.21381	0.6
445.20966	1.2
459.22403	7.3
460.22748	1.0
499.44583	0.3
633.33197	1.1
641.72864	0.3
651.33942	1.0
669.35022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01726	0.4
57.03319	0.6
58.00461	0.4
59.01251	5.8
62.47623	0.3
69.03331	2.3
70.91788	0.7
70.92126	0.5
71.01257	3.5
71.04893	1.2
73.02805	1.3
80.02547	0.5
81.03329	1.4
83.01245	0.4
83.04897	4.1
84.02026	0.9
85.02825	1.2
85.06452	0.7
86.34393	0.3
87.00747	1.1
89.02323	2.2
95.04911	0.9
97.02834	0.4
101.02319	3.1
109.06487	0.6
113.02355	1.8
114.23717	0.3
119.03391	0.9
125.05968	0.5
125.09575	0.7
134.52786	0.3
135.08105	0.5
145.04991	0.7
149.09717	0.4
161.04483	1.3
161.13203	0.5
163.11227	3.1
165.12785	2.0
167.10718	2.9
171.10226	2.4
177.12737	0.6
179.05402	0.6
179.10657	1.3
179.14345	3.4
181.12305	0.5
191.10748	0.6
195.13850	9.9
196.14243	0.5
199.13388	0.5
205.12306	9.2
206.12624	0.5
209.11784	84.3
210.12115	4.7
211.13281	0.4
223.13361	100.0
224.13716	6.2
227.12859	13.3
228.13174	0.7
235.08260	3.4
253.09271	10.6
254.09726	0.8
261.14938	3.2
398.55792	0.3
415.24933	0.8
433.26099	0.5
441.21005	0.6
445.20920	0.7
459.22336	9.0
460.22800	1.2
518.26257	0.4
580.12445	0.4
621.01923	0.3
633.32782	1.3
651.33875	1.3
669.34918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
58.91232	1.1
59.01250	3.6
61.98699	3.5
71.01276	2.7
83.04915	1.5
85.02809	2.1
88.37736	1.1
89.02331	1.9
93.31482	1.2
95.01223	1.5
96.85768	1.2
98.19720	1.9
101.02338	1.3
107.04947	1.4
111.04369	2.0
111.08049	1.5
118.13487	1.4
136.05217	2.3
149.06003	4.2
150.06776	30.2
150.18149	1.2
151.05983	1.1
151.07185	2.2
162.06784	2.9
163.07588	14.4
163.11278	1.6
164.08316	4.0
165.05418	2.0
165.09149	1.3
168.72876	1.1
171.10208	3.1
176.08287	1.5
177.09174	4.0
178.09933	1.3
179.10681	9.1
180.11055	1.3
184.36356	1.1
198.25601	1.1
205.08606	1.2
207.10228	2.3
209.11769	9.9
223.09750	2.5
223.13560	2.1
225.11374	3.8
227.13017	1.6
243.56227	1.2
253.09306	1.2
325.23975	3.3
327.21906	4.9
414.94235	1.5
446.30508	3.8
460.32123	1.7
461.32690	5.5
462.32678	1.4
488.31577	5.4
489.31940	2.1
506.32370	9.4
507.33600	23.6
508.33734	4.5
651.30597	2.7
669.38684	100.0
670.39227	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3858
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
52.82079	1.0
55.00134	1.1
55.01750	1.4
59.01247	4.8
61.98701	5.4
66.90910	1.1
71.01241	2.6
78.95770	1.2
83.04905	1.1
85.02838	2.3
85.33644	0.9
87.00769	1.2
89.02283	1.3
95.04852	1.2
101.02370	1.3
109.06462	2.0
113.02319	1.3
114.55147	1.0
125.02299	1.4
134.38142	1.1
136.05196	1.4
149.05951	5.3
150.06767	43.9
162.06772	1.8
163.07571	11.6
163.11189	1.3
164.08324	6.4
171.10126	2.3
176.04654	2.1
176.08363	1.6
177.09097	2.0
178.06242	2.0
178.09909	3.2
179.10698	17.5
191.07079	3.3
192.07690	1.5
193.08699	2.7
207.10286	1.5
209.11865	6.9
211.13432	1.4
223.09683	1.4
223.13327	1.8
225.05862	3.5
225.11334	3.4
253.09120	1.5
303.09125	1.2
313.07559	1.4
327.21817	10.9
334.25549	1.1
338.31927	1.1
397.87939	1.0
433.22598	1.3
445.33618	1.5
446.30322	5.0
447.30661	1.3
461.32700	8.5
462.32947	1.8
489.32208	3.3
506.32578	5.6
507.33374	30.4
507.62027	1.1
508.33545	4.5
620.24500	1.5
651.06586	1.2
651.30652	2.3
669.38715	100.0
670.39117	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	671.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
58.00496	0.5
59.01261	8.5
69.03342	0.7
70.73906	1.0
71.01255	5.9
72.99205	0.6
73.02837	1.7
80.02554	2.3
81.03341	3.6
83.01270	1.4
83.04908	8.6
84.02072	1.2
85.02836	2.4
87.00772	1.1
89.01849	0.6
89.02316	3.4
93.03345	2.2
95.01286	0.6
95.04915	2.0
97.02851	4.3
97.06454	1.2
99.00768	1.4
101.02333	6.1
106.04140	0.7
107.04929	0.8
109.06490	17.4
110.03660	1.3
110.06821	0.8
111.04446	0.7
113.02344	2.7
119.03407	1.1
121.06500	1.4
123.08052	0.5
125.02365	0.6
125.05977	0.7
125.09620	3.3
135.08066	3.2
136.05231	1.1
136.16162	0.5
137.05983	1.1
142.02644	1.7
143.03418	0.7
152.07115	0.6
154.98871	0.5
161.04483	1.5
161.09668	1.4
163.11215	16.1
164.11526	1.0
165.12827	2.3
171.10210	4.3
177.12840	0.5
179.10698	0.8
181.12299	4.2
185.11842	2.8
187.09782	1.1
189.09146	1.6
191.10773	1.1
197.11768	0.5
201.11275	1.2
203.10533	0.5
207.10233	51.0
208.10590	2.9
209.11792	100.0
210.12123	5.0
211.13374	1.9
221.11757	0.8
223.13356	1.0
225.11299	29.2
226.11626	1.7
227.12862	14.8
228.13214	1.1
231.10313	1.0
235.08211	3.0
235.13268	1.3
243.12245	1.3
245.11819	1.0
247.13455	1.6
249.11264	1.6
253.09282	9.9
263.12933	1.6
265.14386	1.3
299.15073	0.8
371.22522	0.7
373.20010	0.5
373.24161	1.0
381.20779	1.0
399.21729	5.4
400.21881	0.7
405.17667	0.8
407.24344	0.7
417.22812	5.8
418.23151	1.1
435.23584	1.1
443.19040	3.3
444.19681	0.6
445.20554	0.8
461.20364	8.8
462.20847	1.1
473.25330	0.7
485.20325	1.1
499.21503	0.7
609.28485	0.8
625.32385	0.6
627.30872	0.6
635.30865	10.9
636.31226	1.6
653.31781	13.9
654.32452	2.5
671.32892	24.8
672.32776	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	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.1
58.00463	0.5
59.01253	8.1
61.98693	0.7
63.58016	0.4
69.03338	0.5
69.81642	2.4
71.01250	7.0
71.04897	0.7
73.02823	1.3
80.02544	2.2
81.03337	3.1
83.01249	1.7
83.04895	7.0
84.02045	1.6
85.02842	2.0
87.00735	2.3
89.02335	3.3
91.03875	0.6
93.03338	1.1
93.47690	0.5
95.01265	0.8
95.04909	2.2
97.02828	4.9
97.06474	0.9
98.20489	0.7
99.00764	2.0
101.02328	4.5
109.06477	17.2
110.03625	1.0
110.06799	0.7
111.04432	0.7
111.08013	0.7
113.02338	3.5
121.06484	1.6
122.06010	1.4
123.08044	1.1
125.02395	0.7
125.05968	1.4
125.09593	3.7
135.08078	2.2
136.05217	1.1
137.06013	1.1
142.02628	1.8
145.04988	0.9
145.10095	0.7
151.07506	0.6
152.07109	1.3
161.04495	2.4
161.09610	1.4
162.06758	0.8
163.11208	13.8
164.74055	0.5
165.05493	1.2
165.12758	2.4
171.10158	4.8
177.09087	0.5
179.05508	1.0
179.10681	1.4
181.12268	5.2
185.11739	3.4
187.09692	1.0
189.09158	1.9
191.10764	1.3
197.11722	0.8
199.13335	0.8
201.11226	1.2
203.10786	0.5
207.10211	51.9
208.10587	2.9
209.11774	100.0
210.12106	5.2
211.13399	3.6
212.03633	0.5
217.12286	0.9
219.03119	0.5
221.11761	0.8
223.09772	1.0
223.13402	1.4
225.11285	34.8
226.11661	1.6
227.12840	15.0
228.13182	0.7
231.10233	1.1
235.08208	3.8
235.13347	1.3
243.12372	1.6
245.11830	0.7
247.13403	1.0
249.11305	1.6
253.09259	9.0
263.12851	1.3
265.09735	0.6
265.14499	1.2
281.13950	1.2
293.09308	0.7
299.14987	0.8
355.22754	1.0
373.23779	1.1
381.20786	0.7
389.23318	0.9
391.24921	1.0
399.21780	5.6
400.22430	0.6
405.17188	0.8
417.22855	5.5
418.23236	0.8
435.23593	1.0
443.19180	2.3
445.20947	0.8
458.17300	0.7
461.20242	10.7
462.20703	1.3
463.21710	0.7
493.26691	0.5
502.15933	0.9
509.31390	0.5
625.32129	1.3
627.29895	0.7
635.30817	7.7
636.31232	2.1
639.24359	0.8
653.31824	14.7
654.31909	2.3
671.32813	22.4
672.32983	5.4
674.16376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01274	1.0
69.52146	0.6
70.84725	1.5
71.01240	0.7
85.02859	0.6
86.74083	0.6
87.00747	0.9
89.02323	0.6
97.06462	0.6
114.63605	0.6
117.87261	0.5
122.03659	0.8
123.08076	1.5
135.04414	1.2
136.05212	28.6
136.30202	0.5
137.05655	1.1
141.09146	0.5
147.08060	0.8
148.05222	0.7
148.43216	0.5
149.05991	4.1
150.06810	4.0
151.07532	0.9
157.08687	0.5
162.06721	1.5
163.07562	1.9
164.08374	3.1
165.09145	26.0
166.09468	1.0
177.09192	0.7
179.06982	0.9
179.10744	0.8
207.10229	0.9
209.11957	0.6
225.11223	0.8
229.10730	1.4
253.60948	0.5
278.18927	0.7
306.18338	1.1
313.20270	1.2
321.20700	2.1
336.19269	0.6
343.21237	5.2
346.78122	0.6
350.21021	2.4
351.21640	0.8
425.26883	0.8
427.28348	1.3
445.29510	1.8
450.61505	0.6
463.30725	5.9
464.31201	1.1
491.30161	2.2
508.30551	1.7
509.31131	24.2
510.31577	3.8
671.36542	100.0
672.36853	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01237	0.9
60.97164	0.5
69.30984	4.7
69.89017	0.5
71.01275	0.7
85.02839	0.7
87.00740	1.2
111.04405	0.9
123.08048	1.5
123.57278	0.6
127.11169	0.8
136.05208	24.8
137.05518	0.7
137.09604	1.0
147.08073	1.0
149.06009	4.0
150.06761	2.8
162.06766	1.2
163.07538	1.1
164.08339	2.2
165.09134	23.4
166.09415	1.1
183.87112	0.6
207.10216	0.9
209.11743	1.2
307.19141	2.7
343.21243	6.0
463.30756	10.1
464.31082	2.0
491.29929	2.5
508.30408	2.3
509.31122	26.8
510.31451	4.3
671.36487	100.0
672.36719	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01268	0.5
59.78917	0.4
63.56022	0.4
68.76247	0.5
69.68397	0.4
70.92406	0.5
71.01242	0.9
71.53844	0.8
73.02799	0.5
74.67321	0.4
85.02830	0.6
87.00766	1.2
89.02316	0.8
90.92072	0.5
95.04957	0.6
97.06466	0.6
109.38055	0.5
111.04390	0.8
121.06471	0.7
123.08041	0.8
127.38017	0.4
135.04413	0.8
136.05208	20.3
137.05667	0.6
148.05238	0.6
149.06010	4.8
150.06790	2.5
162.06764	1.2
163.07558	1.5
164.08304	2.1
165.09134	18.6
166.09438	1.0
179.10696	0.9
180.18695	0.5
180.66075	0.5
200.51680	0.5
207.10263	1.0
209.11784	1.6
211.19031	0.5
225.11320	1.2
229.10841	1.5
291.79852	0.5
296.47415	0.6
299.18829	0.5
306.18503	0.6
321.20752	1.9
321.81534	0.5
341.23340	0.6
343.21359	4.2
350.20941	2.2
351.21399	1.0
427.28488	1.5
445.29227	1.4
462.30008	1.2
463.30646	6.3
464.30865	1.1
491.29993	1.8
494.00775	0.6
508.29941	2.3
509.31036	16.8
510.31207	3.2
556.19733	0.6
671.36499	100.0
672.36853	21.1
680.91455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95424	3.2
57.78314	2.9
61.08029	3.6
63.46502	3.7
68.94947	3.1
69.64735	10.0
69.65139	7.3
77.85429	3.3
115.59199	2.9
115.84938	3.2
135.04391	7.2
151.00291	7.6
154.45409	3.5
178.99788	5.8
179.03366	6.3
191.05556	21.9
199.75230	3.0
207.75705	3.7
243.03017	6.5
255.02994	19.9
271.02515	42.2
272.03052	5.2
300.02765	100.0
301.03522	28.1
353.08746	8.1
354.09192	4.0
358.57532	3.5
505.43460	3.7
609.14612	85.2
609.29907	4.5
610.14923	12.4
695.43329	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46698	0.1
57.03309	0.2
58.00445	0.2
59.01252	2.2
68.09275	0.1
71.01252	1.9
71.04876	0.2
71.30984	0.2
73.02828	0.5
80.02569	1.2
81.03330	1.4
83.01253	0.4
83.04900	4.5
84.02045	1.0
84.05229	0.2
85.02835	0.3
87.00729	0.3
89.02327	1.2
89.95998	0.2
93.03323	0.2
95.04910	0.7
97.06484	0.3
99.00739	0.2
101.02317	1.8
109.06466	0.3
113.02336	0.8
119.03370	0.3
123.08074	0.2
125.05979	0.4
125.09592	0.4
133.05052	0.2
135.08051	0.6
137.69147	0.1
161.04488	0.6
162.06728	0.2
163.11195	3.9
164.11488	0.3
165.12747	2.0
171.10164	2.5
179.05522	0.3
181.12259	0.4
189.03125	0.2
191.10727	1.0
199.13329	0.7
209.11771	100.0
210.12117	6.1
221.11790	0.4
227.12846	15.2
228.13142	0.8
229.14478	0.2
235.08215	1.7
247.13335	1.5
253.09254	6.4
253.11900	0.3
254.09610	0.3
265.14398	0.6
347.44437	0.2
401.23322	0.5
419.24127	0.2
437.24515	0.2
445.20691	0.9
463.21890	0.4
483.22580	0.2
593.28851	0.2
611.30878	0.3
619.30176	0.2
637.32336	1.0
655.33453	0.5
673.33405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63085	0.1
55.01742	0.2
57.03296	0.3
59.01250	1.8
62.20080	0.1
69.13392	0.2
71.01245	1.4
73.02811	0.3
80.02551	1.1
81.03317	0.9
83.01251	0.4
83.04900	4.3
84.02030	0.8
85.02808	0.5
87.00753	0.4
89.02316	1.0
95.04914	0.6
97.06446	0.2
101.02345	1.4
109.06448	0.2
113.02335	0.7
119.03347	0.3
125.05963	0.5
125.09568	0.3
135.08058	0.5
140.97386	0.2
143.03395	0.2
147.11636	0.3
161.04463	0.7
163.11195	3.1
165.12758	2.0
171.10173	2.2
177.09122	0.2
181.12262	0.5
191.08963	0.2
191.10712	0.7
199.13347	0.2
209.11768	100.0
210.12100	5.6
221.11790	0.4
223.13348	0.2
227.12843	14.2
228.13179	0.8
235.08261	1.5
247.13445	1.2
253.09256	5.7
254.09570	0.2
265.14496	0.4
358.46539	0.2
401.23514	0.2
419.24237	0.3
437.25507	0.2
445.20831	0.7
463.21979	0.3
611.30737	0.2
637.32233	0.9
655.32886	0.5
673.34216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83436	1.1
54.65052	1.0
58.00453	1.6
59.01252	11.9
61.98684	1.9
62.94058	1.1
69.37420	8.3
71.01256	46.7
72.99188	1.9
73.02827	3.7
76.99824	1.0
78.95767	5.4
81.03333	1.9
83.01298	1.5
83.04902	4.7
85.02830	4.1
87.00768	3.0
89.02318	5.5
95.01279	1.9
95.04905	1.4
97.02832	3.3
97.06470	1.4
98.20592	2.2
99.00751	4.0
101.02325	10.0
109.06483	6.6
113.02327	5.0
119.03390	2.0
123.54003	1.0
125.02371	1.1
125.09611	2.7
134.80927	1.2
137.09650	1.6
145.04999	1.2
152.99458	1.8
153.12697	1.2
161.04474	4.1
163.11192	9.3
165.12825	5.2
167.14395	1.1
171.10193	10.3
181.12294	5.5
183.13857	10.6
185.11781	3.3
191.05492	1.2
191.10722	1.2
192.88206	1.3
193.12303	3.0
197.11739	2.5
199.13342	25.5
200.13670	2.1
201.11324	8.1
207.10207	23.2
207.13986	1.3
208.60638	1.2
209.11775	74.5
210.12094	7.5
211.13345	100.0
212.13655	7.7
215.12782	1.9
225.11261	19.5
227.12851	73.7
228.13258	5.4
229.14371	2.8
235.08177	5.9
243.12120	1.6
247.13348	2.3
253.09299	15.0
271.02704	1.1
375.25485	1.7
383.21902	2.1
391.25003	2.6
401.23383	6.8
419.24387	3.2
420.25140	1.4
443.18951	2.2
445.20612	2.0
461.20297	3.8
463.21735	12.4
637.32605	7.0
638.32758	2.1
655.33063	8.9
656.33978	3.1
673.34216	20.5
674.34967	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
58.00475	2.4
59.01250	10.7
61.98699	3.6
65.60332	0.8
68.28260	0.9
69.03313	1.2
69.26822	7.6
71.01255	39.7
73.02826	4.2
75.97169	0.9
78.95777	5.7
80.02565	2.0
81.03330	2.8
81.36412	1.0
83.01247	1.6
83.04890	6.2
85.02833	3.5
86.38898	0.9
87.00755	2.0
89.02315	5.6
93.03358	1.9
95.04890	2.0
97.02827	3.8
97.06456	1.8
98.19807	1.7
98.30304	0.9
99.00758	4.0
101.02310	6.2
109.06477	10.8
111.00791	1.2
113.02345	4.2
124.24668	0.9
125.02337	1.0
125.06021	1.2
125.09621	3.8
125.10455	0.9
127.11192	0.9
135.02518	0.8
135.08055	3.5
145.04947	1.4
152.99489	2.8
153.12845	0.8
155.10716	1.4
161.04477	1.7
163.11195	11.2
165.12787	2.1
167.95366	0.9
171.10182	14.6
173.04486	3.2
179.05479	1.0
179.10727	1.0
181.12221	4.1
183.13785	5.6
185.11749	3.7
189.09036	1.1
193.12270	1.3
197.11858	1.4
199.09682	1.6
199.13309	17.4
200.13681	1.1
201.11287	12.7
207.10202	29.8
208.10559	2.2
209.11778	100.0
210.12154	10.0
211.13344	53.6
211.15425	1.5
212.13680	4.1
215.12880	1.2
225.11288	26.2
226.11655	2.7
227.12854	49.9
228.13155	3.6
229.14455	1.6
235.08185	5.4
235.13269	1.0
243.12372	3.9
247.13451	1.8
253.09273	13.1
265.14581	1.4
339.23242	1.2
357.24362	1.6
361.10928	1.4
375.25674	1.2
383.22305	1.2
391.24908	2.0
401.23419	5.9
402.23654	1.4
419.24387	3.3
445.20752	2.2
447.22794	1.0
461.20258	7.3
463.21747	3.7
493.27887	1.2
637.32306	7.9
638.32544	1.3
655.33093	10.6
656.34082	2.1
663.66034	1.2
673.34344	17.4
674.34229	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	673.3805
Annotation	MK 7924
Peak:m/z	Relative Intensity
57.03308	0.8
59.01226	0.8
62.42083	0.4
62.76766	0.4
70.85301	1.0
71.01236	0.5
71.26814	0.4
85.02808	0.5
91.22475	0.4
91.49477	0.5
96.97697	0.4
108.75734	0.5
109.06446	0.5
111.04352	1.0
121.06445	1.2
122.03608	0.8
123.07997	1.1
130.50645	0.5
135.04398	1.3
135.07999	0.5
136.05199	34.0
137.05573	1.8
137.09543	0.5
147.08025	0.8
149.05983	6.3
149.09627	0.7
150.06776	5.4
162.06755	2.0
162.97557	0.4
163.07547	2.6
164.08360	3.9
165.09126	31.6
166.09450	2.0
177.09024	0.7
179.06973	0.8
179.10745	1.0
204.20227	0.5
209.11810	2.1
261.18494	0.6
307.18964	0.6
345.22861	8.2
432.28537	0.6
447.31177	1.2
450.29709	1.6
464.31143	0.9
465.32208	15.1
465.38617	1.0
466.32559	2.5
492.30743	1.5
493.31659	3.8
495.34195	0.4
510.32135	2.5
510.37149	0.5
511.32529	32.0
512.32684	4.2
673.38000	100.0
674.38336	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92698	0.5
59.01250	0.6
67.01745	0.7
68.69654	0.5
71.02071	0.5
71.05920	0.5
74.36211	0.4
85.02819	6.4
87.00739	1.3
93.03326	3.0
109.02843	0.6
111.04408	1.1
119.04919	0.8
127.03908	2.0
163.03902	1.4
171.02850	0.7
173.04437	1.5
178.84262	0.5
191.05537	100.0
192.05869	3.0
337.09277	40.4
338.09576	2.4
438.04330	0.7
580.71289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93430	0.6
59.01244	0.7
67.01757	2.1
67.12163	0.7
69.64131	1.1
69.64522	2.5
71.01268	1.1
73.02832	0.7
85.02832	4.4
85.15824	0.7
87.00763	4.4
93.03342	15.6
98.20186	1.9
99.49744	0.6
111.04415	3.5
114.91978	0.7
115.48851	0.6
119.04917	3.1
145.02818	0.9
156.64690	0.7
163.03903	5.7
173.04492	5.8
191.05550	100.0
192.05869	3.9
227.87613	0.8
327.08594	0.7
337.09305	19.4
338.09705	1.7
675.19446	6.4
676.19720	1.1
698.15198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81453	0.4
54.79938	0.4
55.01756	1.2
57.03312	1.7
58.00470	1.9
59.01252	45.5
61.98697	1.8
63.85101	0.4
68.99689	0.6
69.03330	2.6
69.27430	1.1
69.27835	3.1
71.01254	45.5
72.01575	0.9
72.99170	3.6
73.02818	7.3
75.00754	1.3
78.95778	4.8
81.03330	2.0
83.01262	4.8
83.04897	0.8
85.02826	9.0
85.99966	0.4
86.03173	0.6
87.00747	11.1
89.02316	37.8
91.03879	0.7
93.03329	0.8
95.01253	3.6
96.55273	0.4
97.02826	7.6
97.03401	0.7
99.00763	2.5
99.04420	0.6
101.02324	37.9
102.02679	0.6
103.03889	0.5
106.52050	0.4
109.02850	1.1
111.00740	1.0
111.04390	0.9
111.85818	0.4
113.02329	17.3
114.82642	0.5
115.03880	1.1
115.51434	0.4
119.03391	11.9
121.02856	0.8
125.02334	16.6
126.02765	0.5
127.03915	0.9
131.03410	1.6
133.04967	1.4
137.02310	0.8
139.03914	1.3
141.01814	0.9
143.03397	6.7
149.04433	1.2
152.99515	3.3
157.04958	0.8
161.04454	8.0
167.03349	0.9
169.04950	1.1
179.05521	7.0
185.04420	0.5
191.05597	0.7
192.25917	0.4
203.05698	0.5
209.11871	0.7
217.07062	1.3
219.04935	0.6
221.06577	2.8
227.59984	0.5
233.11473	0.5
234.55151	0.5
235.08194	15.7
236.08461	0.5
245.06679	0.9
253.09161	4.1
263.07678	1.7
277.09302	1.7
277.21725	100.0
278.22061	9.0
287.07684	2.7
293.21289	1.0
305.08792	3.5
323.09775	2.0
379.12506	1.3
397.13489	82.2
398.13882	6.8
415.14563	33.8
416.15042	2.5
593.27191	2.2
675.35260	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00176	0.3
55.01758	1.5
56.99681	0.3
57.03317	1.7
58.00473	3.1
59.01253	52.2
60.01575	0.4
63.07993	0.3
67.39727	0.3
68.99690	0.7
69.03316	2.2
70.72778	0.4
70.73091	0.6
71.01257	42.1
72.01577	0.8
72.99184	3.0
73.02822	7.4
75.00760	1.0
77.65070	0.3
78.95777	1.3
81.03331	2.1
83.01258	4.4
83.04906	0.6
85.02827	9.6
85.99968	0.3
87.00755	11.2
89.02319	39.1
90.02641	0.4
91.03913	1.0
93.03312	0.6
95.01278	2.5
97.02831	7.5
99.00777	2.6
99.04424	0.7
101.02325	34.0
102.02669	0.6
109.02852	0.9
111.00763	0.8
111.04398	1.7
112.01539	0.3
113.02334	17.7
114.02611	0.4
115.03912	1.0
119.03397	10.9
121.02869	0.7
123.00804	0.5
124.01550	0.5
125.02341	13.7
126.02710	0.4
126.08281	0.4
127.03943	0.6
129.01756	0.4
131.03439	1.8
133.04971	1.4
137.02249	0.4
139.03923	1.3
141.01831	0.9
143.03412	6.9
149.04468	0.9
152.99483	0.5
161.04462	8.7
162.04849	0.4
167.03380	1.0
169.05003	0.7
171.02882	0.5
176.38211	0.4
179.03354	0.3
179.03781	0.4
179.05524	7.1
185.04512	0.9
199.06023	0.6
203.05551	0.6
209.11786	0.7
217.07103	1.2
221.06564	2.8
222.06891	0.5
235.08200	14.7
236.08472	0.4
245.06631	0.8
253.09236	4.1
259.20929	0.5
263.07657	1.6
275.20178	0.8
277.09344	1.2
277.21725	100.0
278.22073	8.6
281.63141	0.4
287.07751	3.6
291.23108	0.5
305.08813	4.3
323.09753	1.7
361.11523	0.8
379.12354	1.4
397.13501	82.9
398.13855	6.1
415.14594	36.8
416.14975	2.9
657.35382	0.4
675.35437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	0.7
59.01249	20.7
69.20748	6.5
71.00885	1.6
71.01254	15.5
73.02809	7.8
81.03313	0.8
81.43829	0.7
83.04889	1.6
85.02822	3.2
87.00766	5.6
89.02318	25.9
93.03333	22.9
94.03682	0.9
95.01276	1.2
97.02831	1.0
98.19847	1.8
99.00746	2.2
99.04418	2.8
101.02325	16.1
104.62704	0.7
111.04398	11.2
113.02334	9.1
119.03393	5.6
119.17329	0.8
125.02343	1.8
129.01910	1.1
131.03392	2.3
137.02348	12.2
141.01826	0.9
143.03409	4.7
151.03859	0.7
155.03426	9.7
161.04434	6.7
173.04465	31.2
174.04820	0.9
179.05528	36.0
180.05890	1.0
221.06601	16.2
252.25044	0.8
280.14063	0.8
281.08755	1.7
301.77432	0.8
302.69406	0.9
310.28979	0.7
311.09366	0.8
317.08682	1.0
323.09897	3.1
335.09894	9.0
335.13324	1.4
341.10846	7.2
346.72009	0.9
350.67899	0.9
452.81433	0.8
503.16177	100.0
504.16559	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	677.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42937	1.0
51.47076	1.0
59.01240	3.5
75.83460	1.0
78.33189	1.2
80.04923	3.1
82.02859	3.6
83.02420	1.2
86.75919	1.1
94.02866	41.1
94.06499	3.4
96.04444	1.7
96.95892	1.9
99.04445	1.1
104.04951	1.3
106.06489	2.4
107.03642	6.3
108.04423	2.5
110.05977	1.6
120.08088	30.0
122.06015	41.4
123.06292	2.3
124.07585	1.2
132.04430	3.4
134.06007	7.8
136.03935	2.1
137.04663	1.4
138.05522	18.9
139.02628	2.3
149.04666	1.2
150.05496	2.5
152.07086	86.3
153.07410	3.6
158.02339	2.2
160.03883	1.9
164.07086	2.4
174.05418	1.2
190.05069	7.0
191.05498	1.7
211.12378	1.5
213.13783	1.4
215.11784	1.3
218.03397	1.1
223.08771	7.4
224.09433	4.6
225.10316	3.0
229.16354	1.3
237.10309	14.8
238.11024	5.8
239.11894	8.3
241.13348	1.3
245.12968	6.0
249.06801	2.4
250.07399	1.4
251.08189	3.9
251.11943	7.2
252.12604	1.4
253.13531	2.2
263.08136	4.0
264.08990	9.0
264.11432	1.3
265.09818	6.5
267.11331	1.8
271.10980	2.2
277.09982	5.6
278.10428	3.8
279.11374	32.4
280.11981	5.6
281.12906	3.8
281.47818	1.3
283.10873	1.9
285.12674	1.2
291.11469	9.1
292.12000	5.0
293.09247	1.2
293.12820	3.4
295.10883	5.1
297.12457	2.2
303.13608	1.7
311.13959	1.3
313.11981	2.4
316.23492	1.3
322.09476	1.4
323.10339	9.6
324.10989	6.4
325.11923	3.7
334.15411	2.0
339.09723	1.2
355.12915	4.1
376.16470	2.8
388.16626	1.8
389.17224	1.7
402.18405	10.3
403.18646	3.5
404.19794	2.0
416.19968	2.0
417.20386	1.9
430.17761	1.7
443.18552	1.6
444.19373	12.2
445.19751	2.6
448.18887	6.6
460.18533	2.0
461.19342	2.5
462.20090	4.6
471.17603	2.9
488.18274	14.7
489.18961	14.3
490.19659	1.8
520.20844	21.8
521.21130	5.1
541.24634	13.2
542.24640	3.1
583.25549	12.6
584.24634	1.3
585.23584	30.3
586.24084	5.6
601.26880	6.2
602.26569	1.4
617.26178	28.9
618.26361	6.8
627.24597	28.5
628.25238	5.4
633.35651	1.6
645.25647	100.0
646.26062	18.6
659.27423	13.9
660.27533	2.4
677.28131	27.4
677.39026	2.2
678.29083	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	677.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01757	0.1
55.69630	0.1
58.02847	0.3
59.01253	0.1
72.04430	0.2
73.02788	0.1
80.04935	0.3
81.03336	7.0
82.03677	0.3
83.04899	19.5
84.05237	0.3
96.95908	0.1
100.07554	0.3
107.06038	0.4
108.04455	0.6
109.02811	0.1
125.02338	0.1
125.07100	1.0
126.05505	0.3
131.63069	0.1
135.04370	0.2
137.02376	0.2
143.08148	0.5
157.13361	0.2
167.56683	0.1
171.14839	0.1
179.03500	0.1
191.05576	0.4
199.18080	0.1
207.14972	1.4
222.16109	0.2
224.17647	3.0
225.16043	12.5
226.16377	0.8
230.24512	0.1
240.50473	0.1
242.18735	1.0
250.15596	0.3
268.16617	0.2
290.22253	0.2
309.21832	0.7
324.26529	0.7
333.22913	0.9
339.27481	0.2
341.29129	0.6
342.29526	0.1
349.78546	0.1
351.24066	0.2
367.27090	0.9
385.28238	0.4
407.34189	0.1
433.31760	1.1
434.32327	0.2
450.34631	1.1
451.32904	5.8
452.33118	0.7
550.43481	0.8
559.39630	0.3
565.44617	0.4
593.43890	0.8
659.48676	1.3
660.49017	0.3
677.49677	100.0
678.50000	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99234	0.7
57.03326	1.4
58.00468	0.9
59.01255	37.9
68.51907	0.7
69.59877	4.0
71.01256	20.9
72.99187	1.8
73.02821	8.5
83.01255	2.6
85.02823	9.4
87.00754	2.0
87.04395	4.9
89.02322	8.7
95.01267	1.8
96.95898	1.5
98.20597	0.8
99.00780	2.8
99.04392	1.0
101.02330	14.3
101.05963	1.2
110.66960	0.6
111.00767	0.9
113.02332	8.4
119.03421	3.8
125.02316	2.1
128.30574	0.6
129.01837	0.7
135.04370	1.3
143.03378	1.7
151.27110	0.7
161.04445	3.4
173.04524	0.7
191.05571	1.8
231.11992	0.8
251.16466	1.8
387.24036	1.1
413.21667	2.3
431.22836	8.2
455.22916	1.1
461.70767	0.8
473.23917	100.0
474.24152	10.5
497.24301	1.3
536.79108	0.8
544.43274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27567	0.5
52.95647	0.5
55.01747	1.5
56.50832	0.5
59.01250	0.9
70.34126	1.3
71.01249	1.6
72.99171	1.2
73.02827	0.6
75.00743	28.6
85.02827	0.9
87.00755	4.8
93.03371	0.8
96.90998	0.5
99.00779	0.7
101.02316	1.2
105.01815	6.0
117.01825	1.2
127.03815	0.8
129.01820	5.8
130.02222	0.6
134.03662	2.0
135.04419	23.6
136.04756	1.3
143.92790	0.5
147.02899	3.6
165.03966	100.0
166.04326	2.8
179.03427	12.8
191.05545	20.5
192.05952	0.7
196.62596	0.7
199.12491	0.5
273.79611	0.7
327.07193	16.2
328.07535	1.6
353.08853	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	681.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07323	0.6
57.03310	1.4
59.01235	2.4
61.98691	1.1
64.73876	0.6
71.01253	7.2
71.04884	0.8
74.14837	0.6
78.95756	0.8
79.05408	1.0
83.04890	2.3
85.02826	2.5
88.98681	0.8
93.03336	1.1
95.04900	2.0
97.02825	8.7
97.06448	1.0
98.20571	1.4
101.02297	0.8
105.06976	2.3
107.04900	2.4
108.05693	6.1
109.02853	4.7
109.06478	2.3
109.86792	0.6
111.04408	10.9
111.08053	2.0
113.02335	0.8
113.05975	8.8
119.08559	2.7
121.06482	3.6
122.03653	9.3
123.04415	1.8
123.08049	7.9
125.05979	9.9
135.08054	1.7
136.05200	8.3
137.05989	4.4
138.06773	14.9
139.03897	0.8
139.07555	30.0
140.07899	1.5
147.08017	1.0
148.05220	4.2
149.05986	4.3
151.07556	67.5
152.04721	6.8
152.08345	27.9
153.09113	13.7
159.11720	1.6
161.09657	4.4
163.07529	6.7
164.07899	0.9
167.07065	3.6
170.05728	1.0
175.07541	1.1
179.89787	0.8
185.09602	1.2
186.10378	1.4
188.08321	1.4
189.09129	1.9
191.05513	1.4
195.71350	0.7
201.12799	18.9
202.13100	1.5
203.10699	10.2
204.11494	34.5
205.11841	2.3
219.13864	60.4
220.14200	4.3
223.13231	1.4
263.12875	100.0
264.13275	7.6
316.22479	0.7
397.13177	0.8
519.31641	5.5
672.70099	0.8
673.16541	0.8
681.36462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58490	0.8
57.03313	1.6
59.01250	2.4
60.92381	0.9
61.98713	1.1
69.03337	1.1
70.75455	1.0
71.01256	7.2
76.47611	0.8
83.04900	2.2
84.31587	1.1
85.02820	2.1
89.02293	0.8
93.03349	1.8
93.38046	0.8
95.04888	1.4
97.02829	7.6
98.20599	1.3
100.91949	0.9
101.02296	1.3
105.06985	2.3
107.04903	2.0
108.05722	4.4
109.02841	3.1
109.06474	2.7
111.04408	10.2
111.08042	1.8
113.02338	1.1
113.05979	9.7
119.03352	1.0
119.08547	2.7
121.06491	2.2
122.03616	8.2
123.04389	1.8
123.08045	6.0
125.05968	8.9
135.08093	1.9
136.05191	9.0
137.06012	4.6
137.09567	0.9
138.06773	13.4
139.07545	32.5
145.02911	1.1
148.05264	5.1
149.05984	3.8
151.07558	62.3
152.04729	5.6
152.08345	28.9
153.09134	12.1
159.11685	2.0
160.69183	0.9
161.09622	4.2
163.07561	8.5
164.08235	0.9
167.07045	3.3
170.05737	1.2
185.09648	1.9
186.10435	1.7
188.08379	1.4
189.09105	2.9
191.05528	1.2
201.12804	17.3
202.13106	2.0
203.10703	8.3
204.11493	35.3
205.11812	1.4
219.13863	54.7
220.14151	4.0
223.13307	1.2
263.12869	100.0
264.13312	6.6
289.41708	0.9
301.58035	0.9
397.13571	1.1
519.32043	5.7
520.31958	1.3
680.74695	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	681.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94526	33.0
78.95785	24.6
84.86146	12.8
126.95570	14.2
167.00980	22.7
254.64334	13.3
277.21707	100.0
346.30487	14.3
445.23557	62.4
643.26392	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	683.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.0
58.00472	3.4
59.01254	60.0
60.01595	0.7
69.79555	0.7
69.79961	1.3
70.83506	0.4
71.01255	59.8
72.01592	0.7
72.99185	4.2
73.02824	1.8
75.00758	0.9
83.01254	2.0
85.02821	6.5
87.00759	3.9
89.02320	82.8
90.02647	1.4
95.01274	2.9
97.02843	0.6
99.00770	0.6
101.02326	35.2
102.12349	0.4
109.08914	0.4
113.02334	25.6
114.02650	0.4
119.03391	26.0
125.02361	0.8
131.03412	3.9
143.03433	5.2
149.04463	2.5
161.04486	6.7
179.05539	23.1
180.05940	0.8
191.05522	0.5
195.94092	0.5
202.18301	0.4
327.71402	0.5
337.06433	0.4
341.10889	100.0
342.11243	7.5
392.66913	0.5
529.16711	0.5
539.52637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13649	1.0
59.01255	9.5
71.01257	6.3
75.33465	0.9
85.02828	2.6
87.00761	1.2
88.98669	2.4
89.02308	4.3
91.54829	1.0
96.95866	1.3
99.04556	1.1
101.02319	2.7
108.02041	4.7
109.02840	55.4
110.03188	1.2
113.02322	2.0
123.04415	2.3
125.02289	1.2
161.02357	2.0
177.01938	1.1
191.05493	1.9
237.64841	0.9
266.05795	1.4
277.05151	1.7
281.08151	1.1
291.06589	2.4
293.08209	1.5
305.08185	1.2
309.07822	1.6
310.08676	1.2
321.07730	1.6
323.09427	1.1
336.09955	2.4
337.10696	1.3
363.08597	1.1
416.13483	1.1
461.15958	1.7
475.14041	2.9
479.17090	3.4
504.17673	1.0
521.18378	4.9
522.18433	1.3
552.38177	1.1
674.72961	1.0
683.23444	100.0
683.36328	3.3
684.23828	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.8
59.01262	6.9
59.76539	0.8
71.01246	4.7
71.54314	1.6
72.99174	1.4
88.98687	3.5
89.02325	2.0
90.60987	0.8
96.95908	1.1
101.02327	2.7
108.02034	3.2
109.02841	49.0
110.03124	1.0
110.19432	0.7
113.02345	2.1
119.76063	0.8
123.04400	0.8
129.01875	1.0
135.04385	1.4
161.02332	2.7
179.03435	0.9
266.06015	1.1
267.06625	1.8
277.05060	1.3
281.08212	2.0
291.06705	2.6
293.08179	2.2
305.08215	1.5
307.09924	0.9
321.07593	1.4
322.08258	1.0
336.10004	2.7
337.10718	1.7
351.12537	1.4
461.16074	1.2
475.13727	1.2
479.17090	3.6
503.16550	1.4
521.18256	4.2
522.18671	1.1
653.56458	0.9
683.23474	100.0
683.36627	4.2
684.23779	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	683.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01282	2.5
59.01256	46.5
61.98694	3.0
65.74500	2.9
69.26199	4.4
69.26962	23.1
71.01254	10.9
73.02814	3.6
85.02816	7.3
87.00759	4.9
88.63232	2.7
89.02345	4.6
97.08059	2.7
101.02320	11.8
106.20821	2.8
113.02331	4.6
149.95689	3.0
157.08557	4.5
161.04355	5.7
171.10196	33.0
178.45210	2.9
191.05467	4.1
235.08168	8.8
237.14906	3.2
253.09294	5.4
263.69421	2.8
266.01544	2.6
293.21143	11.3
325.25467	3.6
341.10876	9.9
343.26486	4.2
359.26025	5.4
369.24417	8.7
387.25385	32.5
388.25757	4.1
405.26590	23.8
406.26755	4.3
423.27029	4.5
518.49609	2.7
623.34381	100.0
624.34924	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69973	0.5
57.03323	4.9
59.01252	3.8
61.98691	0.5
68.82484	0.5
69.03333	0.6
71.01273	4.3
71.33361	0.7
73.02803	1.4
78.66115	0.6
80.02569	0.6
83.04895	1.0
85.02841	1.2
85.86211	0.6
86.07206	0.6
87.00774	1.7
89.02357	1.3
95.04905	2.0
97.06464	15.1
98.20370	0.6
101.02321	4.5
111.46311	0.6
113.02345	1.9
123.08059	8.8
125.09615	82.5
126.09950	4.4
126.61224	0.5
129.18257	0.5
143.10741	0.7
145.04984	1.0
161.04439	1.6
166.63860	0.6
169.08609	2.1
187.09688	34.5
188.09995	1.0
200.97890	0.6
235.08186	3.5
243.02524	0.6
253.09312	2.8
261.13446	0.8
277.21722	42.0
278.22025	4.4
306.97119	0.7
405.17621	6.7
407.60336	0.6
423.18671	5.8
424.19019	0.9
521.35126	0.9
627.13391	0.7
683.40076	100.0
684.40393	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03087	0.4
57.03334	3.2
59.01263	5.0
59.67672	0.5
69.03342	0.7
69.33444	0.4
70.06389	1.1
70.06763	1.1
71.01263	5.2
72.99189	0.5
73.02833	1.0
83.04913	0.5
85.02824	0.7
85.45822	0.5
89.02333	4.6
95.04921	1.7
97.06482	14.5
98.06808	0.6
101.02335	3.9
113.02348	1.7
119.03429	0.8
123.08067	7.5
125.09630	100.0
126.09972	4.5
143.03500	0.5
143.10703	1.2
161.04510	0.8
169.08629	2.3
179.05577	0.7
187.09708	71.9
188.10052	3.9
211.09720	0.6
248.03572	0.5
253.09326	1.8
256.88522	0.5
261.13531	1.0
277.21738	15.3
278.22119	1.7
405.17722	6.1
406.17999	0.9
423.18771	18.1
424.19086	1.8
521.34900	0.9
683.40179	92.7
684.40497	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33651	1.4
58.61905	1.4
60.99176	9.1
69.54849	3.8
69.55261	5.6
72.25523	1.2
88.98683	36.2
94.44115	1.5
107.01270	1.8
109.02800	2.0
121.02722	1.5
148.01497	2.0
151.00293	8.5
163.03880	4.0
178.99757	2.4
227.03363	2.9
230.69231	1.8
243.03012	6.9
254.02127	2.0
255.03009	25.2
256.03290	2.7
271.02484	58.0
271.05402	2.9
272.02905	5.8
300.02765	100.0
301.03284	15.3
317.03094	1.5
488.60306	1.7
511.83020	1.5
520.96692	1.6
595.13037	98.2
596.13446	13.0
639.95020	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	685.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90819	0.9
57.03342	4.3
59.01254	4.0
61.98709	2.6
67.01762	1.3
69.84936	0.8
71.01266	4.0
73.02829	2.7
74.98330	0.9
75.00751	1.9
78.95815	1.0
81.03355	1.9
83.01268	1.2
83.04908	1.9
85.02834	17.5
87.00779	3.9
93.03335	11.6
96.95866	1.2
98.20555	2.1
99.04406	1.4
101.02340	1.5
109.02863	2.6
110.54047	0.7
111.04432	3.5
113.02351	1.0
121.02817	1.0
125.02338	9.5
125.54321	0.8
127.03897	3.5
137.02373	3.3
139.07542	1.0
145.02853	1.0
150.06779	7.1
151.00270	1.2
151.07516	1.1
162.06784	1.2
163.07573	3.2
164.08331	1.3
165.01941	1.0
171.03003	1.4
173.04506	4.2
173.05809	0.8
177.01978	0.9
177.09125	1.0
179.10719	3.7
181.08553	1.0
191.05560	100.0
192.05910	4.3
192.07494	0.9
195.04391	1.1
195.10127	0.8
199.04001	1.4
201.11234	1.2
207.04449	1.3
209.11775	5.7
210.12013	1.1
211.03940	1.6
213.05447	1.1
214.02563	1.3
215.03470	1.9
215.07108	2.0
223.03987	0.9
225.05402	1.8
227.03514	2.3
229.01343	6.1
230.02167	1.1
233.06114	0.8
235.03972	4.6
237.05463	1.6
239.03432	1.3
241.01552	1.0
241.04982	2.6
242.02306	1.7
243.02991	1.2
243.06590	1.5
249.05614	1.9
251.03508	6.4
253.05095	1.8
255.03146	1.2
261.05603	2.0
263.03540	4.3
264.04224	3.0
265.05093	3.9
269.04526	1.7
273.05563	1.1
275.07178	1.9
277.05066	1.0
279.03024	4.6
279.06537	2.2
281.04623	1.2
283.07608	0.9
284.04913	0.9
285.05521	1.7
286.06296	1.2
287.05704	0.9
289.05142	2.9
290.05811	1.1
291.03061	4.6
291.05878	0.9
299.07068	1.6
301.04956	2.8
302.05820	1.9
303.06601	5.9
304.07080	0.8
305.04724	1.8
305.08258	1.3
307.06171	3.1
313.05075	1.5
315.05731	1.4
317.07996	1.9
319.06131	1.0
321.07739	1.0
327.06769	3.9
329.04507	1.7
329.08075	1.5
330.05280	2.9
331.06015	8.4
332.06589	1.8
333.03891	1.8
333.07458	1.3
334.70728	0.9
343.05988	1.4
345.07840	5.4
347.05603	3.7
349.07202	3.7
355.06110	6.7
361.07217	2.2
363.08670	1.8
371.05505	5.2
373.07263	13.1
374.07596	1.4
375.05209	3.9
380.40515	0.8
389.06793	8.1
391.08231	2.7
393.26245	1.8
399.05194	6.2
400.05466	1.6
407.07617	1.1
417.06189	46.4
418.06738	5.0
431.27908	1.3
435.07281	10.2
436.07809	1.0
448.28183	2.6
449.08862	2.0
471.09573	1.0
493.07791	10.3
494.07904	1.3
503.11969	2.5
505.31702	1.4
511.09186	1.7
522.32990	2.4
523.33344	1.8
609.12549	29.1
610.12494	5.0
653.11450	1.0
684.34125	1.8
685.14545	16.5
685.25757	1.1
685.38086	23.6
686.15155	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	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44753	0.4
57.03317	0.4
59.01246	0.9
61.13177	0.4
70.56271	1.0
73.02826	1.2
83.74841	0.4
85.02821	1.0
87.00759	1.4
93.03307	0.5
93.73066	0.5
97.06484	1.3
98.20469	0.4
99.04404	0.8
111.04385	0.5
111.08049	0.8
113.06004	0.6
123.04446	0.6
123.08070	1.7
135.08029	0.9
136.05194	0.7
141.09085	0.9
148.05290	0.5
149.05963	2.0
150.06783	21.3
151.07149	0.8
153.09106	0.5
157.08606	1.3
162.06758	1.1
163.07568	10.3
164.08359	3.7
165.09081	0.7
171.10162	1.0
177.09125	1.3
178.09927	1.7
179.10730	11.4
180.89287	0.4
185.96127	0.5
191.05505	0.6
229.10757	1.9
287.43790	0.5
299.18628	1.2
320.19809	1.2
335.22272	0.9
341.23291	3.1
343.21280	3.3
364.22559	1.7
393.26385	1.1
441.30133	0.5
448.28516	1.4
449.29086	0.5
462.29721	1.1
476.31473	1.3
477.32419	3.6
478.32318	0.6
486.30688	0.5
504.30853	3.1
505.31613	1.8
522.31995	6.5
523.32941	14.9
524.33069	2.0
685.38080	100.0
686.38483	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	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71323	0.3
57.03316	0.4
59.01241	1.0
61.98704	0.5
65.90100	0.4
67.62708	0.4
70.40868	1.1
71.01259	0.8
71.39144	0.3
72.61589	0.3
73.02813	0.7
85.02829	1.0
87.00727	1.8
92.76242	0.3
95.04913	0.4
97.06460	0.5
99.04391	0.8
101.02325	0.4
111.08092	0.4
123.08054	1.6
135.08051	0.7
136.05197	0.5
141.09117	0.8
149.05989	1.7
150.06772	25.2
151.07158	0.7
157.08566	1.0
158.53378	0.4
161.09576	0.4
162.06798	1.0
163.07562	7.1
164.08351	4.1
171.10214	0.8
176.08354	0.8
177.09103	1.4
178.09895	1.3
179.10699	13.2
179.35667	0.4
180.11076	0.8
187.09679	0.8
201.11270	1.9
209.11826	0.4
229.10768	1.4
257.13956	0.6
299.18582	0.9
320.19830	1.3
321.20624	1.5
335.22055	0.4
341.23120	2.1
343.08060	0.6
343.21350	3.5
364.22702	1.7
393.26511	1.2
444.28360	0.4
459.31091	0.7
461.32556	0.5
462.29767	1.5
463.29190	0.3
476.31378	2.5
477.32236	4.6
478.22635	0.4
478.33038	0.6
483.26227	1.1
504.30994	3.6
505.31586	2.4
522.32056	6.6
523.32776	20.5
524.33026	3.4
685.38025	100.0
686.38391	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07766	1.2
53.46405	1.0
55.31792	1.1
57.03323	1.7
59.01238	3.4
60.04460	1.0
60.29247	1.2
61.98694	4.6
70.87421	2.2
71.01246	3.1
83.04897	2.3
85.02837	2.1
93.03353	1.7
96.95918	1.4
99.18389	1.0
101.04961	1.2
113.02356	1.2
121.02837	1.6
121.06507	1.2
123.04391	1.4
125.02378	2.0
125.09607	1.4
136.04279	1.1
136.05220	5.5
137.02466	0.9
137.05952	1.1
149.05954	3.3
150.06790	18.3
151.07393	1.0
157.08685	1.2
162.06784	34.5
162.08101	2.4
163.07576	6.6
164.04613	1.4
165.01843	1.6
165.05461	1.8
165.09178	5.1
171.10202	4.8
173.04501	3.3
173.05859	1.2
175.07544	2.6
176.08357	30.7
177.09143	17.9
177.74121	1.2
179.10745	3.0
209.11800	8.4
221.11835	3.7
227.12839	2.3
229.82855	1.1
239.12784	2.8
253.09308	1.7
263.20218	1.2
327.21790	22.7
328.22183	2.1
350.87726	1.1
436.45981	1.2
439.61438	1.1
486.29871	6.2
487.30801	8.5
488.31085	1.6
493.31873	10.0
495.33423	1.3
505.31848	11.0
523.33447	9.4
641.35681	1.5
685.38110	100.0
686.38593	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	687.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03326	1.3
57.27033	0.4
59.01254	5.9
61.98690	0.8
67.01762	0.4
68.90710	0.4
69.03327	5.1
71.01254	6.2
71.04899	1.7
72.99187	0.4
73.02824	1.5
75.75680	0.4
80.02548	1.3
81.03337	1.7
83.01257	1.2
83.04892	5.1
84.02055	1.0
84.31266	0.4
85.02837	1.6
87.00772	1.1
89.02316	3.0
93.03328	0.5
95.04903	0.6
97.02821	0.8
97.06477	1.3
99.00764	1.3
99.04427	0.5
101.02326	4.2
109.06488	1.1
111.04377	0.7
113.02351	2.6
119.03403	1.0
123.08039	1.2
125.02326	0.8
125.06071	0.4
125.09621	2.4
128.39775	0.4
135.08084	0.9
137.09631	0.7
143.03435	0.5
149.09587	0.6
151.11177	2.0
153.12753	0.8
161.04482	1.3
161.09642	3.7
163.11227	5.0
165.12788	2.5
171.10197	2.4
172.53783	0.5
177.09227	0.5
179.10706	8.0
180.11053	0.5
181.12282	1.4
188.67490	0.4
191.10880	0.9
197.11772	54.3
198.12105	3.2
199.13319	1.6
207.10204	2.3
209.11775	62.3
210.12122	3.9
223.09747	2.0
225.11252	3.3
227.12816	6.2
235.08138	0.5
241.10797	3.7
243.12370	0.9
251.32011	0.4
253.09219	3.5
459.18710	0.8
477.19669	2.8
479.21533	0.5
643.37335	0.7
651.30255	0.7
669.31342	1.8
687.32294	100.0
688.32623	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	687.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69686	1.6
59.01236	6.0
61.50383	1.7
62.66154	2.0
71.01246	8.6
85.02840	1.9
89.02315	40.0
93.03336	2.5
96.95874	4.2
98.95488	1.7
109.06459	4.3
114.94516	1.8
119.04910	2.2
123.08034	5.2
135.04401	2.6
135.08060	4.3
136.05212	11.6
138.06656	2.7
139.25832	1.8
141.09126	3.0
149.02321	4.5
149.05928	3.6
150.03087	5.5
150.06737	4.5
153.09169	8.7
159.06523	3.7
163.07523	2.7
165.05521	3.2
165.09152	13.6
173.08034	1.8
174.35042	2.0
187.09726	10.1
191.05489	4.6
215.06573	2.0
217.10797	23.4
221.04533	1.7
311.09241	2.1
326.11511	3.3
337.19797	3.4
341.13873	4.5
359.84247	2.1
417.26379	4.0
489.19269	5.6
507.30176	4.0
525.30182	3.1
687.35986	100.0
688.24884	2.7
688.36163	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	687.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64597	0.7
57.03320	4.2
59.01253	1.8
61.98698	1.4
64.69081	0.7
69.03310	0.9
71.01244	2.1
71.54402	0.8
75.00743	1.4
83.04919	1.1
85.02824	1.0
87.00778	1.5
87.04379	0.9
89.02311	5.6
93.03315	1.3
95.04882	0.8
96.95914	1.2
97.06464	3.7
99.04405	1.7
101.02309	0.9
109.06477	7.9
111.04404	2.5
111.08054	1.4
113.09628	1.1
119.11092	0.9
121.06458	1.2
123.04451	0.8
123.08040	10.5
125.09575	1.4
135.04404	1.5
135.08069	10.3
136.04135	0.9
136.05203	18.4
137.05867	1.4
138.06747	3.5
141.09113	4.8
148.05202	1.9
149.06007	5.2
150.06784	5.7
153.09132	15.9
159.06544	11.4
162.06737	1.1
163.07532	3.5
164.08307	2.4
165.09134	13.8
173.08105	2.6
179.10693	3.4
187.09695	19.4
188.10027	1.0
191.05637	1.1
207.10269	1.5
217.10765	32.1
218.11131	1.1
220.26888	0.8
293.73163	0.8
306.18448	1.5
307.19162	1.4
337.20148	5.4
341.19583	2.4
350.20804	1.0
351.21732	2.4
364.22742	1.0
365.23273	2.4
425.26865	3.0
489.27817	1.1
495.30157	1.0
507.29660	10.7
508.29999	1.3
525.30316	1.3
527.28766	1.6
582.54315	0.9
623.70294	0.9
628.12518	0.8
669.35083	7.6
687.35925	100.0
688.23315	3.5
688.35822	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69686	1.6
59.01236	6.0
61.50383	1.7
62.66154	2.0
71.01246	8.6
85.02840	1.9
89.02315	40.0
93.03336	2.5
96.95874	4.2
98.95488	1.7
109.06459	4.3
114.94516	1.8
119.04910	2.2
123.08034	5.2
135.04401	2.6
135.08060	4.3
136.05212	11.6
138.06656	2.7
139.25832	1.8
141.09126	3.0
149.02321	4.5
149.05928	3.6
150.03087	5.5
150.06737	4.5
153.09169	8.7
159.06523	3.7
163.07523	2.7
165.05521	3.2
165.09152	13.6
173.08034	1.8
174.35042	2.0
187.09726	10.1
191.05489	4.6
215.06573	2.0
217.10797	23.4
221.04533	1.7
311.09241	2.1
326.11511	3.3
337.19797	3.4
341.13873	4.5
359.84247	2.1
417.26379	4.0
489.19269	5.6
507.30176	4.0
525.30182	3.1
687.35986	100.0
688.24884	2.7
688.36163	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	687.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69686	1.6
59.01236	6.0
61.50383	1.7
62.66154	2.0
71.01246	8.6
85.02840	1.9
89.02315	40.0
93.03336	2.5
96.95874	4.2
98.95488	1.7
109.06459	4.3
114.94516	1.8
119.04910	2.2
123.08034	5.2
135.04401	2.6
135.08060	4.3
136.05212	11.6
138.06656	2.7
139.25832	1.8
141.09126	3.0
149.02321	4.5
149.05928	3.6
150.03087	5.5
150.06737	4.5
153.09169	8.7
159.06523	3.7
163.07523	2.7
165.05521	3.2
165.09152	13.6
173.08034	1.8
174.35042	2.0
187.09726	10.1
191.05489	4.6
215.06573	2.0
217.10797	23.4
221.04533	1.7
311.09241	2.1
326.11511	3.3
337.19797	3.4
341.13873	4.5
359.84247	2.1
417.26379	4.0
489.19269	5.6
507.30176	4.0
525.30182	3.1
687.35986	100.0
688.24884	2.7
688.36163	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	687.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03331	0.6
58.00458	0.5
59.01242	0.8
61.98702	3.0
65.03835	1.2
69.03329	1.5
71.01249	2.3
71.04877	0.6
71.54367	0.5
72.99166	0.5
73.02821	19.2
78.95770	0.6
81.03316	2.3
83.04900	7.4
85.02823	3.9
89.16253	0.4
93.03334	50.1
93.67919	0.4
94.03664	1.2
99.00766	5.9
99.04396	6.9
101.02339	1.0
105.25468	0.4
109.02809	2.1
111.04401	18.8
112.04727	0.6
129.01862	2.2
129.05441	0.6
137.02339	15.1
138.02678	0.6
143.03400	3.2
155.03404	10.0
161.14365	0.4
173.04471	100.0
174.04782	3.9
200.59908	0.4
209.11877	0.5
211.13361	1.7
253.09309	0.4
255.23218	1.0
257.17596	0.6
277.21729	0.5
359.75238	0.4
475.89865	0.4
688.96179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3959
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03319	1.0
59.01245	2.6
61.98688	1.5
63.45760	0.6
69.28748	2.5
69.29179	2.7
71.01244	1.8
73.02801	0.8
83.01244	0.7
83.04889	0.9
85.02828	2.1
87.00754	1.4
89.02330	0.8
91.15443	0.6
96.95897	0.9
97.02852	0.7
97.06414	0.8
98.19692	0.9
99.04369	0.6
101.02318	1.3
109.06464	0.9
111.04369	0.9
113.02361	1.1
113.05918	0.6
123.08085	1.1
125.02325	0.7
135.08080	0.8
135.50960	0.6
136.05215	1.6
136.71916	0.6
137.06050	0.6
139.07532	1.7
149.05977	2.2
150.06775	24.4
151.07599	3.1
152.08316	1.2
153.09117	1.5
162.06744	2.6
163.07561	14.2
164.08299	5.5
171.10089	1.5
176.08374	1.1
177.09120	2.5
178.09828	1.2
179.10692	10.3
180.11066	1.0
187.09572	0.7
191.05534	1.8
192.07887	2.5
193.08641	1.5
204.11443	1.0
204.90645	0.7
209.11729	2.1
219.13794	2.1
241.10837	0.7
263.12827	3.8
301.20389	1.1
343.24933	2.7
345.22836	3.6
355.13858	2.0
431.64011	0.7
462.33582	0.9
464.31277	2.8
478.33090	2.7
479.33667	5.3
480.34052	0.8
506.32538	3.9
507.33795	4.1
524.33557	8.3
525.34418	17.4
526.34436	2.2
643.37341	0.9
687.39600	100.0
688.40082	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	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20245	1.1
55.46710	1.1
57.03350	1.4
59.01239	7.3
61.98690	5.2
62.13194	1.2
63.59360	1.3
65.60336	1.2
66.79234	1.1
71.01256	48.1
71.54177	1.1
73.02824	4.3
78.95763	9.2
80.02577	1.7
81.03333	2.0
83.01260	1.8
83.04888	4.7
84.02019	1.5
85.02802	2.1
89.02322	4.3
93.03330	5.5
95.04915	1.4
97.02826	1.6
99.00771	2.0
101.02312	5.2
108.86057	1.2
109.06454	4.8
113.02328	2.0
117.94183	1.2
125.09588	1.9
128.35649	1.4
152.99474	4.0
155.10561	1.7
160.53636	1.3
161.04468	2.1
161.09816	1.4
163.11215	7.4
165.12790	3.6
171.10181	32.3
172.10506	2.5
173.04443	5.7
181.12286	3.5
185.11740	2.0
191.05531	1.6
197.11723	1.6
199.13348	1.6
201.11237	17.7
207.10217	21.0
209.11786	100.0
210.12083	4.8
211.13268	3.8
215.12865	3.2
223.13354	1.8
225.11290	29.2
226.11685	1.8
227.12837	10.0
235.08170	4.0
243.12190	2.7
253.09291	11.6
349.08997	1.9
461.20401	4.4
490.34882	1.5
671.32117	2.9
689.33746	6.9
690.33746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65084	0.8
57.03312	1.7
58.00470	1.3
59.01252	7.2
61.83384	0.9
61.98690	1.9
69.03314	0.8
70.45213	1.8
70.45535	0.8
70.84174	1.0
71.01260	11.4
71.04891	1.8
73.02809	1.7
80.02540	1.4
81.03318	2.3
83.01260	1.4
83.04882	5.9
84.02018	1.8
85.02811	2.4
87.00736	2.1
89.02289	3.6
95.04888	2.2
97.02809	3.3
97.06441	2.7
99.00749	10.0
101.02333	5.4
109.06451	3.7
111.04396	1.5
111.24081	0.9
113.02306	3.2
119.03362	1.7
123.07999	1.6
125.05901	1.3
125.09604	6.2
127.11152	1.7
135.08034	2.3
138.62148	0.8
142.02496	0.8
143.67728	1.0
145.04984	0.9
151.11099	0.9
153.12680	1.0
160.93349	1.0
161.04506	1.4
162.06744	1.7
163.07382	1.1
163.11220	12.0
164.11481	1.1
165.12749	2.3
169.12215	1.0
171.10187	66.6
172.10521	2.3
175.07559	1.3
177.08818	1.1
181.12277	15.3
189.09021	1.8
191.05394	1.1
191.10764	1.2
197.11790	2.1
199.13329	7.3
200.13602	0.8
201.11229	3.7
204.22478	0.8
207.10213	19.7
208.10458	1.4
209.11777	100.0
210.12106	6.1
216.90584	0.9
223.09641	1.3
225.11287	45.5
226.11531	1.5
227.12813	16.3
228.13118	1.2
235.08174	4.4
243.12349	17.5
253.09274	10.3
407.19193	2.3
443.18878	1.8
445.20596	1.8
446.61099	0.8
461.20322	6.8
462.20184	1.0
479.21387	6.7
480.22232	1.1
645.38599	1.3
653.31482	2.4
671.32227	5.2
672.33716	1.5
689.33710	59.9
690.34167	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	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56915	0.5
55.01767	0.5
57.03303	0.8
58.00470	1.0
59.01256	7.5
61.52483	0.5
61.98700	2.4
68.35357	0.5
69.57815	2.7
71.01258	42.2
71.04890	0.6
72.99187	1.0
73.02834	4.1
80.02534	1.2
81.03329	1.6
83.01248	1.2
83.04907	5.2
84.02052	0.7
85.02841	2.8
87.00760	2.5
89.02307	2.0
93.03358	0.9
95.04888	2.8
97.02842	2.3
97.06461	1.0
98.20518	1.3
99.00748	2.1
100.00742	0.6
101.02348	4.8
107.04900	0.6
109.02871	0.5
109.06487	4.1
110.03657	0.7
111.04424	1.0
111.08064	0.6
113.02334	2.8
123.08062	0.7
125.02399	1.4
125.05977	0.7
125.09620	2.2
127.11188	1.5
135.08043	1.9
139.07571	1.4
140.30951	0.6
151.11197	0.8
155.10692	0.9
161.04482	1.8
163.07576	0.6
163.11201	7.5
165.09079	0.5
165.12749	2.5
169.12173	0.7
171.10187	36.2
172.10562	1.3
181.12340	2.8
183.13835	0.8
185.11803	2.5
189.09174	1.3
191.10667	0.8
195.10085	0.6
197.11787	3.9
199.09651	1.0
199.13304	2.1
201.11279	17.0
202.11601	0.6
207.10210	12.5
208.10684	0.6
209.11786	100.0
210.12123	7.3
211.13396	2.2
215.12836	1.6
223.13280	0.9
225.11287	26.8
226.11610	1.4
227.12842	12.5
228.13103	0.9
235.08173	2.9
243.12393	3.2
251.12924	1.9
253.09297	12.2
254.09673	0.8
273.17081	1.4
372.22168	0.6
417.22632	1.2
443.19101	1.3
445.20654	0.8
461.20297	3.9
477.32434	0.6
479.21375	1.4
635.30548	1.2
642.86871	0.7
645.39343	1.0
653.31641	2.7
671.33191	3.7
689.33893	8.5
690.34296	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	689.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12943	0.6
52.45597	0.8
59.01239	1.4
70.56109	2.0
71.01244	1.9
73.02824	0.8
75.00732	0.9
87.00733	1.4
89.02316	9.3
96.95901	1.3
101.02332	1.0
109.02834	1.0
110.38201	0.7
113.02313	0.8
119.03367	0.8
121.06426	1.0
123.08044	1.1
124.01654	0.7
125.02333	1.7
125.09622	0.7
135.04404	1.1
136.05202	28.3
137.05835	0.7
137.09625	1.0
147.07999	0.7
148.05153	1.4
149.05972	6.0
150.06815	6.4
153.09099	1.0
158.75204	0.6
161.04362	0.8
162.06749	3.6
163.07539	4.0
164.08296	3.8
165.09122	30.4
166.09428	2.5
176.08315	0.9
177.09152	2.1
179.10677	2.3
187.09749	1.0
188.58015	0.8
191.05495	2.1
217.10652	1.5
264.73679	0.7
307.19046	1.6
331.21399	2.7
361.22324	2.5
451.30869	0.9
463.30563	1.0
464.31473	1.5
465.31854	1.2
479.30127	1.3
481.31793	7.4
482.32086	1.1
497.31100	6.4
498.31760	1.4
509.31198	1.3
526.34619	1.6
527.31512	16.1
528.33105	2.7
689.37482	100.0
690.37878	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.5
59.01256	2.5
67.01755	1.6
69.03372	0.9
70.94031	2.1
71.01256	2.1
83.04906	1.4
85.02827	21.7
87.00761	4.3
93.03353	13.6
96.95891	7.1
99.04371	3.1
109.02807	2.0
111.04409	3.0
122.26075	1.0
125.68709	1.1
127.03893	4.4
135.04446	1.7
149.88004	0.9
159.04309	1.1
161.04434	1.9
163.82903	0.9
167.04883	1.0
169.06572	0.9
173.04501	5.3
177.01826	1.1
181.06465	1.2
191.05560	100.0
192.05905	4.9
195.04410	2.5
197.06009	2.0
207.04504	3.1
209.05934	6.2
211.04010	2.9
217.05016	9.5
219.04309	1.4
223.04024	6.3
224.04691	1.2
225.05576	6.5
226.06134	1.3
227.07233	5.8
235.03970	18.2
236.04642	4.3
237.05566	11.2
238.05875	1.4
243.03009	1.5
248.50562	1.1
250.02687	2.3
251.03491	23.6
252.04126	6.3
253.05089	21.6
254.05316	1.4
255.02892	1.1
255.06721	5.9
261.04050	3.7
263.03497	12.5
264.04150	1.9
265.04993	1.5
271.06110	3.6
279.02975	23.1
280.03708	2.9
281.01395	2.1
281.04565	41.8
282.04883	3.6
283.02509	2.9
297.04074	2.8
299.05688	6.8
307.02521	24.6
308.02884	2.6
325.03583	7.1
343.04672	4.9
353.08777	1.6
394.55783	1.1
401.95102	1.1
417.08539	2.0
455.09967	3.1
473.10629	6.5
481.07712	1.6
499.08908	21.7
500.09106	3.4
517.09723	3.7
555.46606	1.4
691.15198	95.0
692.15503	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	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66137	0.4
59.01253	1.2
60.99174	0.9
67.01751	1.7
69.66171	2.4
71.01248	1.8
78.71550	0.4
80.00638	0.5
85.02818	7.9
87.00749	4.1
89.58134	0.4
93.03329	14.9
94.03679	0.6
96.41548	0.5
100.86469	0.4
109.02831	2.4
111.04414	3.0
115.00246	1.2
119.04916	0.9
127.03900	2.3
133.02835	1.1
135.04448	4.0
145.02846	0.6
155.03386	0.6
161.02316	2.3
163.03920	0.9
164.48573	0.5
171.02939	0.6
173.04474	8.5
179.03387	2.2
186.41240	0.4
191.05534	100.0
192.05870	3.7
226.06326	0.9
227.07088	2.7
239.06969	0.6
255.10255	7.4
256.10428	0.9
281.08267	1.1
289.05911	0.7
307.05960	0.9
337.09311	1.3
339.94629	0.5
343.08194	1.2
353.08783	3.8
436.99457	0.5
463.10992	1.3
499.12418	1.3
517.13751	3.6
537.73877	0.5
604.71082	0.5
633.09381	0.5
670.55902	0.6
673.64984	0.5
691.18726	45.0
692.18976	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	691.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58755	0.5
57.03315	0.7
59.01252	1.7
60.99149	0.8
63.64006	0.5
67.01775	2.6
69.03307	0.7
69.84531	2.5
71.01266	3.0
74.76886	0.5
81.03357	1.2
81.64505	0.4
83.04915	0.9
85.02425	0.3
85.02827	14.6
87.00751	6.1
93.03339	17.3
109.02853	3.3
111.04402	3.9
115.00275	1.4
119.04872	0.5
127.03912	4.1
129.01801	0.7
135.04430	1.3
155.03423	1.0
171.02847	0.6
173.04497	9.0
174.04700	0.7
191.05551	100.0
192.05914	4.1
225.05539	0.8
226.06320	1.9
227.07082	7.6
255.10274	4.2
281.08127	1.4
289.05634	0.7
307.06238	2.1
311.27094	0.5
325.07245	0.6
337.09259	0.6
353.08856	1.1
421.53775	0.5
463.11060	1.2
472.09665	0.5
499.12521	2.0
517.13470	0.9
535.86804	0.5
691.18848	41.7
692.19208	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	691.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.7
59.01246	1.3
60.75309	0.6
67.01768	1.4
69.20477	4.4
71.01271	1.9
77.38386	0.5
78.21308	0.5
78.95806	0.7
79.85022	0.5
81.03334	0.6
85.02834	7.1
87.00749	3.3
87.40307	0.5
89.47066	0.5
93.03343	11.3
94.03616	0.6
96.95885	2.3
96.96861	0.6
109.02861	2.3
111.04411	2.1
115.00270	1.5
119.04936	0.7
125.02368	2.9
127.03921	2.1
135.04424	2.8
137.02385	1.0
140.56241	0.4
145.02876	0.6
161.02362	2.7
163.03922	1.2
171.02930	0.7
173.04478	7.3
177.01833	2.7
179.03433	2.1
187.02376	0.6
191.05557	100.0
192.05870	4.4
203.07091	0.7
226.06339	1.0
227.07092	4.3
255.10255	4.5
256.10559	0.6
281.08252	0.8
289.05499	0.8
289.07303	0.7
307.06174	1.3
337.09161	2.5
343.08279	0.8
353.08737	2.4
407.02786	0.4
407.07443	2.5
425.09079	2.3
463.11172	1.1
499.12476	1.6
517.13489	2.2
541.34924	0.5
593.12634	0.8
691.18811	31.7
692.19061	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	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67337	1.3
66.72157	1.2
67.01772	2.0
68.93279	1.2
69.76818	3.4
69.77232	2.5
69.79008	1.1
71.01259	1.7
85.02827	7.7
87.00755	5.0
89.70093	1.6
93.03324	11.6
98.20267	3.5
109.86707	1.3
115.00294	3.0
127.03942	1.4
129.91335	1.2
133.02821	1.1
135.04436	3.8
161.02376	1.9
173.04448	7.7
179.03380	2.6
191.05553	100.0
192.05872	4.5
193.65491	1.2
226.06270	1.8
227.07069	3.0
255.10260	3.9
304.89700	1.3
307.06055	1.7
319.98737	1.4
337.09235	1.8
341.17917	1.4
353.08774	6.7
517.13550	1.8
552.62585	1.5
691.18854	20.4
692.19464	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	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11537	0.8
54.31423	0.9
55.46824	0.9
61.12322	1.0
62.44102	0.9
67.01745	2.1
71.01246	1.6
71.54057	1.0
77.89266	0.8
85.02821	9.6
87.00746	3.8
93.03352	11.2
109.02845	1.7
111.04469	2.1
115.00243	1.9
119.04845	1.2
127.03864	2.6
135.04393	2.1
137.65361	1.0
161.02338	3.2
173.04449	8.6
179.03366	2.3
191.05540	100.0
192.05904	3.7
192.90013	1.0
214.69106	1.0
224.84827	1.0
226.06384	1.5
227.07047	4.1
254.58133	0.9
255.10146	5.6
279.06689	1.0
281.08072	1.3
289.05811	0.9
305.93994	0.9
307.05997	1.3
353.08740	5.1
419.29880	0.9
461.78745	1.1
517.13519	3.1
602.51868	1.2
667.17474	1.1
691.18695	24.6
692.19208	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.8
61.77098	1.8
61.98700	5.4
64.72596	1.8
68.38242	1.6
69.82938	3.5
69.83342	6.0
71.01249	6.6
80.04926	8.1
80.37355	1.7
85.02828	2.2
85.45700	2.0
94.02859	15.4
96.95828	2.2
98.20502	3.6
105.69569	1.8
106.06578	2.2
108.04463	2.0
108.08070	6.1
121.05200	3.4
122.05997	2.0
134.05992	2.0
136.03963	2.5
136.06532	3.9
136.07585	77.8
137.07896	3.0
138.05510	7.2
148.03932	3.9
150.05489	3.8
163.11276	2.7
171.10155	7.7
174.05457	2.3
185.11734	5.8
191.05617	2.9
197.11786	6.1
199.20265	2.0
201.10266	4.7
207.10185	3.4
209.11801	16.5
210.12086	4.3
211.08676	2.6
213.10435	2.2
225.11232	6.1
227.12643	2.6
229.09775	4.3
229.13411	8.7
239.11856	6.0
239.14197	1.9
250.07430	2.2
251.08055	2.7
253.09511	4.6
255.11400	4.9
263.08426	3.2
265.09805	2.8
267.11398	2.9
273.12491	3.5
278.06989	4.1
278.10196	1.9
279.07697	5.0
279.11176	4.3
293.09387	13.4
294.09921	2.9
295.11081	4.3
297.12521	2.9
301.11884	8.1
307.10901	6.5
309.12274	3.8
319.12955	21.5
320.13052	2.9
337.08234	7.7
374.15143	4.8
392.16486	2.5
416.15903	3.3
443.18311	7.3
444.19067	3.6
446.17334	2.5
458.21039	6.5
460.18787	3.1
470.17441	3.8
476.22000	5.5
487.17264	4.3
488.18375	14.4
502.19681	17.5
519.19611	2.8
523.23358	3.6
534.22498	14.4
535.22980	2.9
541.24854	3.2
565.24609	7.7
567.22260	3.9
583.25671	20.3
584.26227	2.9
597.27429	3.6
599.24890	2.8
615.28223	10.0
616.28717	3.0
627.24725	16.2
628.25586	3.0
631.27930	3.3
641.25842	9.2
645.93347	2.0
648.83502	2.3
659.27216	100.0
660.27448	21.3
691.18542	3.5
691.28442	15.6
692.29779	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	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03089	0.8
56.00541	0.8
57.03334	1.4
59.01259	7.6
61.98700	4.4
67.47771	0.9
71.01257	15.7
73.02825	1.4
75.88327	0.8
78.95773	2.1
81.03338	1.8
83.04897	4.8
84.02029	1.9
85.02823	1.0
85.14622	0.8
87.00742	2.5
89.02336	3.6
93.03338	1.2
95.04918	2.1
97.06467	5.2
98.20654	1.6
101.02332	5.5
105.27050	0.8
109.06470	2.2
109.64052	0.9
113.02330	3.3
117.22385	0.8
119.03374	1.6
125.09619	1.9
133.10083	0.9
137.05963	1.3
145.05061	1.0
151.11192	13.6
152.11626	1.0
152.99493	1.0
161.04462	2.4
163.11203	4.1
165.05453	1.9
165.12766	1.9
168.09244	0.8
169.12265	65.4
170.12604	3.9
171.10170	6.6
183.13864	1.3
185.11681	1.5
191.05605	1.2
191.10733	1.3
191.91103	0.8
195.10184	2.2
195.65616	1.0
197.11775	1.4
199.13310	1.1
201.11258	2.5
207.10272	2.8
209.11771	63.0
210.12155	4.3
211.13353	12.8
212.13588	0.9
213.11298	8.2
225.11337	2.7
227.12813	6.8
228.13173	1.2
235.08282	2.3
237.69048	0.8
253.09224	7.1
383.22266	1.3
391.24762	1.7
401.23407	1.1
431.19186	2.3
449.20218	4.0
475.30753	1.2
619.31470	1.2
637.31708	7.1
638.32690	2.3
641.31439	2.6
655.33557	3.3
659.32855	100.0
660.33221	21.5
691.16931	1.1
691.35565	6.7
692.35870	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	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15046	0.4
53.43727	0.4
59.01237	2.7
61.98690	1.4
70.82903	0.9
70.83224	0.4
71.01262	2.3
72.99173	0.5
73.97631	0.4
78.21629	0.4
78.81960	0.4
80.02539	1.4
81.03333	1.0
83.04899	4.3
84.02048	0.7
84.60605	0.5
85.02815	0.7
85.67241	0.4
87.12237	0.4
89.02299	1.6
93.53416	0.4
95.04902	0.6
101.02333	1.8
113.02316	1.0
125.05987	0.5
125.09614	1.1
127.11203	1.2
135.08060	0.7
155.10680	0.6
158.31697	0.4
161.04468	1.1
163.11183	3.9
164.11494	0.5
165.12766	2.3
171.10205	1.3
179.78609	0.4
181.12358	0.5
191.10699	1.1
199.13248	0.6
201.11263	23.3
202.11618	1.1
209.11772	100.0
210.12105	7.0
213.30936	0.4
227.12849	15.5
228.13219	0.9
235.08182	2.9
253.09273	9.2
254.09435	0.8
375.21713	0.9
437.20331	0.6
445.20886	2.3
507.71933	0.4
520.85406	0.4
691.35974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12859	0.8
62.96239	1.0
70.84471	2.5
78.95778	34.2
80.02519	1.5
81.03352	2.2
83.04906	7.6
84.02034	2.5
95.04942	1.3
96.96833	3.5
107.54406	0.9
135.07999	1.5
142.01799	0.8
152.99495	58.3
163.11218	6.4
165.12752	3.7
171.00575	5.5
181.12173	1.2
191.10652	2.8
199.13338	1.8
209.11777	93.7
210.12117	5.8
227.03218	3.8
227.12857	15.4
228.13199	1.4
245.04233	1.8
253.19305	1.6
253.21733	22.8
254.22066	1.8
255.23183	1.3
277.21976	1.8
363.12115	8.4
437.15909	7.5
455.16870	100.0
456.17050	9.6
640.45099	1.0
691.38245	76.8
692.38428	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	692.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	100.0
70.11044	2.0
70.21642	0.6
78.95774	0.8
84.06598	0.6
113.02296	0.7
128.71831	0.6
136.93271	0.6
152.99542	0.6
165.51630	0.5
197.11819	1.4
257.83203	0.6
277.21747	2.3
405.31653	2.9
423.32758	21.4
424.33023	3.9
449.30594	5.3
450.30914	0.8
467.31699	78.4
468.32043	14.6
509.33276	1.2
629.36981	11.2
630.37598	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	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89079	2.5
59.01236	9.2
61.98691	10.5
75.18562	2.5
78.95779	6.4
83.72181	2.8
96.95940	3.3
98.19958	12.7
101.02281	3.1
124.33600	2.5
152.99545	3.1
171.10199	27.5
183.13847	6.1
209.09871	5.3
209.11775	74.6
210.12102	7.5
211.13335	100.0
212.13690	5.3
227.12871	21.0
235.08180	4.3
253.09232	10.3
320.65277	2.7
340.82748	2.9
407.19110	2.6
445.21094	5.5
447.22141	10.1
519.09705	3.3
570.88171	2.9
693.33374	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	693.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48423	2.6
53.80530	2.5
59.01237	7.2
61.75841	2.1
61.98703	8.9
71.01246	5.4
78.95786	4.2
79.56739	1.9
80.96363	3.3
96.95851	3.4
101.02376	3.1
103.85715	2.2
113.02325	2.9
120.46983	2.3
152.99554	3.2
161.04468	2.9
165.05476	2.5
171.10193	12.3
183.13721	5.2
196.82570	2.5
209.11775	68.2
210.12151	3.1
211.13336	100.0
212.13754	4.4
227.12851	16.2
228.13208	2.9
229.18657	2.4
235.08255	5.5
243.75539	2.3
251.14967	2.3
253.09210	9.2
279.33319	2.2
429.21420	2.9
445.21045	2.5
447.22470	14.7
458.32974	2.3
490.48596	2.4
644.77521	2.9
693.32214	23.1
694.33240	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	693.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01831	0.3
59.01258	2.6
69.03330	0.6
71.01247	2.0
78.95774	0.7
81.10561	0.3
83.04886	0.4
83.25547	0.3
85.02816	0.4
87.00753	0.4
89.02317	1.4
98.20395	1.5
101.02316	1.7
113.02319	1.1
119.03400	0.5
120.81891	0.3
125.09562	0.3
147.17191	0.3
151.11365	0.3
152.99487	0.7
153.09001	0.3
153.12775	1.1
161.04486	1.1
169.12241	6.6
179.05513	0.7
179.10690	0.8
197.11771	100.0
198.12122	4.6
209.11784	0.7
210.11967	0.3
215.16283	0.2
235.08185	1.3
253.09273	6.0
277.21729	48.1
278.22086	4.7
332.25790	0.3
355.88757	0.3
415.19641	0.8
433.20892	3.6
434.21289	0.6
457.17554	0.5
479.74161	0.4
497.22156	0.3
650.04340	0.3
693.38989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36098	0.6
59.01246	2.8
69.03337	0.9
71.01262	2.7
78.95775	2.1
83.04910	0.8
87.00764	0.7
89.02354	1.4
101.02357	2.0
113.02334	1.2
113.05115	0.6
129.52957	0.6
144.25105	0.6
146.43135	0.6
146.49339	0.6
152.99525	1.6
153.12793	1.9
161.04495	1.1
168.66635	0.6
169.12259	6.8
179.05569	0.7
179.10770	0.7
197.11781	100.0
198.12151	6.4
209.11742	0.9
227.12875	0.9
235.08192	2.6
253.09271	9.0
277.21741	76.4
278.22046	7.8
315.26910	0.7
433.20599	3.0
457.17139	1.1
693.38831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72245	0.4
59.01260	1.3
59.53461	0.4
61.98709	100.0
64.05451	0.4
71.01268	0.8
87.47276	0.4
121.02901	0.6
144.56314	0.4
171.10239	0.7
181.08632	1.1
185.50146	0.4
197.11890	0.5
198.82616	0.4
199.09744	3.5
229.31117	0.6
235.08208	0.6
253.09346	0.7
277.21762	6.2
278.22357	0.5
425.34351	7.4
426.34808	1.3
433.45648	0.4
435.18750	0.7
451.32462	0.5
469.33224	27.1
470.33514	4.1
511.34467	0.8
631.38538	5.2
632.38727	1.0
695.40582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.43
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12838	0.8
59.01257	1.7
61.48461	0.8
71.01266	1.5
78.95781	18.2
80.02549	2.0
81.03318	2.5
83.04905	8.3
84.02060	1.9
95.04901	1.4
122.00047	1.9
125.05933	1.4
127.11060	0.9
135.07971	1.1
140.01093	7.0
152.99490	2.0
157.08571	2.0
163.11212	6.6
165.12773	3.8
181.12242	1.5
191.10728	1.9
196.03716	4.7
197.11795	4.9
198.12059	1.3
199.13353	46.9
209.11777	100.0
210.12044	6.4
227.12862	28.0
227.15120	1.2
253.09273	4.2
255.23279	57.8
256.23697	5.1
259.15433	2.1
277.21729	36.8
278.21976	2.3
327.25668	1.0
452.28107	5.5
459.34781	2.0
662.40393	17.1
663.41071	3.2
694.43073	48.2
695.43616	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	695.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38070	0.2
55.33212	0.2
55.76248	0.2
57.28983	0.2
59.01244	0.4
71.01253	0.5
72.68859	0.2
85.02817	4.5
87.00758	1.1
93.03329	1.7
101.02377	0.2
103.86118	0.2
108.30054	0.2
109.02837	0.5
111.04398	0.9
111.19461	0.2
125.86429	0.2
127.03934	1.4
133.02893	0.3
135.04402	1.2
137.66699	0.2
143.86372	0.2
160.84393	0.2
161.02351	1.5
171.02884	0.4
173.04497	0.9
179.03427	1.4
183.65250	0.2
191.05544	100.0
192.05890	3.9
208.60562	0.2
229.12630	0.2
232.71284	0.2
257.72235	0.2
353.08746	10.2
354.09219	1.1
390.54764	0.2
478.14310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33322	0.5
59.01254	100.0
59.81794	0.5
60.01593	0.9
64.53951	0.4
78.95783	13.7
79.67851	0.4
80.96384	0.5
81.55351	0.4
98.19929	2.3
105.46207	0.5
110.25029	0.4
153.58199	0.4
184.87762	0.4
205.15950	1.1
279.23138	0.9
335.70050	0.5
447.13458	0.7
695.31104	47.9
696.31396	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01595	0.9
61.98708	0.5
66.55280	0.2
70.11331	0.6
74.26145	0.2
121.02847	2.1
171.10185	1.8
191.01926	0.2
191.03378	1.0
207.31810	0.2
209.04617	1.4
209.11931	0.3
211.13304	0.2
253.09492	0.3
289.18246	0.7
307.19229	0.4
327.99811	0.2
467.31665	0.2
575.12524	0.3
593.13269	1.2
594.13788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45441	0.7
59.01255	1.9
60.50745	0.7
61.98703	10.2
65.37146	0.9
71.01245	1.3
71.54229	1.0
73.80518	0.7
77.66629	0.8
78.95780	13.7
80.02544	2.1
81.03352	1.9
83.04902	7.8
84.02035	1.9
84.05251	0.8
89.02315	1.1
93.03352	0.9
95.04906	1.0
108.86347	0.8
122.00028	2.0
125.02312	0.9
125.06042	0.8
135.08008	1.4
140.01070	6.4
163.11206	7.8
165.12729	4.1
171.10114	1.0
181.12257	1.0
191.05496	1.3
191.10719	1.8
196.03783	2.9
209.11775	100.0
210.12106	6.2
227.12827	20.9
228.09331	0.9
228.13132	1.1
242.81252	0.8
299.34381	0.8
357.05328	0.9
424.17062	0.9
456.20227	2.5
634.29956	3.2
666.32648	17.9
667.33057	2.4
698.35248	43.9
699.35999	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	699.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37490	0.6
54.97618	0.5
57.03305	0.6
58.00476	1.1
59.01249	19.2
61.98692	1.2
64.05280	0.5
70.87614	1.3
71.01254	17.5
72.99172	2.3
73.02799	0.6
82.03266	0.5
83.01242	0.6
85.02823	2.6
87.00747	1.7
88.04482	0.5
89.02317	24.5
93.03340	0.8
95.01254	1.2
96.95881	0.8
101.02316	8.4
107.08646	0.6
108.02069	5.2
109.02868	1.2
113.02331	5.9
119.03381	8.9
119.04868	2.5
121.02828	2.2
122.03661	0.6
123.04440	2.7
125.02351	0.7
131.03387	0.9
135.04401	1.3
137.02336	0.7
143.03391	2.2
145.02890	3.5
149.02390	0.8
149.04501	0.8
149.05931	0.6
150.03085	1.6
150.06764	0.8
152.27676	0.5
159.04391	1.4
161.04475	1.2
161.05971	1.0
162.06743	0.7
163.03909	2.2
167.07053	0.8
171.04463	0.6
173.69061	0.5
177.09129	0.8
179.03299	0.6
179.05551	4.3
179.10579	0.8
180.07811	1.4
187.03856	0.8
191.05475	0.6
205.05122	1.0
223.07663	0.7
223.09708	2.0
224.66899	0.5
235.05991	1.1
249.05614	1.0
251.06956	0.6
261.05530	0.8
264.04358	0.7
265.04800	0.8
265.07077	1.5
266.05765	0.9
267.10229	0.9
275.06833	0.6
277.05121	2.2
277.08478	1.0
278.05795	0.9
279.06616	1.4
280.07413	1.5
281.08176	0.6
282.08835	1.4
289.04999	0.6
292.07202	0.6
293.08047	1.1
294.08768	0.7
295.09903	1.2
296.10620	3.3
297.11276	3.4
305.08295	2.7
306.08923	2.3
307.09482	1.0
308.10559	1.6
309.07898	0.7
309.11374	1.2
310.08459	2.1
310.12054	1.1
320.10431	1.7
321.11172	1.3
322.11887	0.8
323.09210	1.6
323.12695	0.8
324.09995	6.8
325.10834	22.5
326.11194	2.9
337.10806	1.8
338.11615	2.6
339.12381	15.3
340.13040	11.4
341.13815	1.3
353.10367	1.8
354.14731	0.6
366.10815	0.9
367.12009	1.2
368.12653	8.3
369.12924	0.8
372.12305	1.6
380.12390	1.2
381.12766	0.7
382.14169	0.7
383.14981	20.4
383.19952	1.1
384.15369	1.9
399.12711	0.8
427.11661	1.0
428.12549	1.3
431.14978	0.9
444.11905	0.9
455.15103	0.8
456.12128	0.6
459.14261	6.1
460.15121	1.7
461.16171	1.5
471.14447	5.8
472.14560	1.0
474.16833	5.3
475.17572	1.0
476.18439	1.7
486.16885	1.7
489.19360	17.2
490.19516	2.4
491.20996	2.5
501.19223	8.6
502.19547	1.5
504.17502	1.1
519.20245	100.0
520.20587	16.9
681.25610	2.5
699.36292	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	699.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03325	2.0
58.00455	4.1
59.01251	55.1
61.59661	1.3
61.98702	3.9
64.12646	1.4
64.69268	1.7
68.69286	1.2
69.02225	1.4
71.01250	43.0
71.54486	2.1
72.12624	1.3
72.99169	6.1
73.02806	3.8
83.01266	3.2
85.02828	11.2
87.00764	5.1
89.02314	36.5
93.03339	2.3
95.01247	4.5
96.95853	3.0
99.00770	1.7
101.02327	18.9
108.02033	2.7
109.02817	5.4
111.04435	2.0
113.02332	12.3
119.03403	15.0
119.04871	2.0
121.02859	8.1
121.65667	1.2
135.04425	3.7
137.02261	1.5
143.03380	2.1
145.02838	4.5
145.87460	1.4
159.04393	2.0
161.04497	3.4
161.05872	2.2
162.06741	2.2
163.03877	6.4
173.05956	2.9
179.05510	5.3
191.05545	2.2
254.05841	1.7
265.07205	2.6
267.06586	2.9
268.07303	1.8
270.08884	2.4
279.06729	1.8
281.08109	3.1
282.05307	2.0
292.07590	1.7
293.08105	5.0
297.07608	7.6
305.08160	4.4
306.08865	1.8
307.09766	3.9
308.10443	3.7
309.11276	2.4
310.78543	1.4
314.07965	1.8
320.10516	2.9
321.11182	3.0
322.08340	2.1
323.09073	4.2
323.12729	2.1
337.10873	4.3
338.11545	10.2
339.12262	1.6
353.13986	7.2
375.27322	5.0
429.13373	4.1
444.15802	7.8
459.18655	2.2
473.15891	2.4
474.16614	3.0
486.16913	1.8
489.19244	82.9
490.19568	11.8
501.19394	7.4
504.17722	4.1
505.18402	2.7
519.20099	25.3
520.20508	2.4
651.24414	1.7
669.14697	2.1
669.25592	26.6
670.25757	3.8
681.25507	100.0
682.25739	17.3
699.35583	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	700.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19358	0.2
59.01244	0.2
61.98703	100.0
62.98421	0.3
71.01264	0.3
76.91850	0.2
88.10478	0.2
104.86395	0.2
124.68381	0.2
132.02957	0.2
171.10176	2.0
172.10565	0.7
197.11803	0.5
201.28494	0.2
209.11787	0.3
211.13423	0.3
253.09323	0.2
291.87836	0.2
309.20706	0.5
331.45459	0.2
552.64703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27953	0.7
56.51480	0.7
59.01252	100.0
64.92191	0.8
78.95794	1.6
79.65216	0.7
94.86339	0.7
126.69825	0.7
184.46603	0.7
191.93860	0.8
221.13766	0.7
224.05809	0.7
227.31541	0.7
237.08690	0.8
238.33363	0.7
277.21719	1.9
279.23135	1.4
437.12335	1.0
438.13422	4.5
452.15100	1.6
453.15689	1.4
480.14413	1.6
481.15198	36.2
482.15469	8.9
495.16806	13.6
496.17273	4.9
497.18475	6.8
514.14856	2.4
523.16022	1.0
525.14301	1.6
539.15729	2.4
540.16437	7.9
541.16571	2.0
554.17950	3.2
555.18842	56.5
556.18958	15.1
567.18933	1.9
572.15558	14.8
573.15747	3.3
586.17163	6.8
587.17584	1.4
609.20020	2.3
641.22571	25.0
642.22656	6.6
701.24640	59.1
702.24878	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	701.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.0
61.98690	0.7
69.03331	0.5
69.23977	0.4
69.24379	2.7
71.01244	1.2
72.99191	0.3
78.95771	0.6
80.90805	0.3
85.02817	0.4
87.00747	0.4
87.04337	0.3
89.02316	1.1
96.34949	0.3
101.02318	1.1
111.72736	0.3
113.02337	0.8
119.53245	0.4
161.04411	0.6
167.10707	0.4
167.14299	0.6
171.10222	2.1
172.10483	0.7
173.10617	0.4
183.13837	5.9
193.12260	1.2
207.10223	0.4
209.11931	0.5
211.13335	100.0
212.13680	5.5
225.11284	0.5
235.08136	2.3
253.09261	3.7
255.23198	0.5
271.15582	0.4
395.59097	0.4
429.21136	1.3
447.22327	8.4
448.22681	0.8
527.86932	0.4
529.40491	0.4
623.34845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27095	1.5
52.87253	1.1
59.01246	5.4
61.98703	26.3
70.03085	5.7
71.01244	3.2
72.02790	1.1
73.02828	1.5
81.03320	2.4
83.04890	4.8
89.02279	1.8
92.64979	1.4
101.02300	3.3
129.74089	1.2
163.11263	2.2
165.12785	2.3
171.10199	5.4
174.73773	1.2
179.14305	2.2
195.13882	8.9
205.12167	6.7
209.11780	100.0
210.12111	5.8
211.13374	4.3
223.13358	71.8
224.13553	6.0
227.12848	15.4
228.13213	1.7
235.08214	3.7
253.09248	9.2
259.15472	2.5
261.14923	1.9
395.21457	1.3
445.20160	1.7
459.22217	9.5
459.88101	1.5
651.33691	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	701.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01249	3.1
61.56241	0.5
66.49907	0.5
69.33857	1.6
69.34281	2.2
71.01248	2.1
71.04932	0.5
73.02821	7.5
73.45230	0.5
83.04903	0.6
85.02820	0.8
87.00740	1.4
87.04388	0.6
89.02332	2.1
96.95887	1.2
97.06458	1.2
98.20585	1.0
99.04399	1.1
101.02324	1.5
109.06481	0.6
111.04395	1.2
113.02326	0.8
115.04561	0.6
121.02831	1.9
121.06442	0.8
123.08043	2.3
125.02331	1.0
127.11143	0.6
136.05182	4.1
137.05988	0.7
137.09618	0.9
149.05986	2.6
150.03185	0.6
150.06766	11.4
157.08611	0.6
162.06779	35.0
163.07544	5.5
163.11322	0.5
164.08353	1.9
165.01834	1.2
165.05544	0.8
165.09085	3.8
171.10265	0.7
175.07535	2.1
176.08353	25.8
177.09132	22.6
178.09564	0.9
179.10686	4.7
187.09674	0.7
241.09676	0.5
261.18668	0.7
277.18094	0.6
281.85138	0.5
343.21216	12.8
344.21619	1.1
358.21710	0.8
374.05484	0.5
376.22272	0.8
379.24701	1.0
391.24805	2.2
411.25055	0.7
429.26346	1.3
446.26501	1.6
447.27051	0.8
464.28043	2.2
465.28439	1.7
476.31671	0.6
485.29065	0.7
502.29245	1.8
503.30136	4.5
504.30542	0.7
509.31226	3.3
510.31540	1.0
521.20984	1.7
521.31439	4.2
522.31659	0.7
539.32562	3.9
540.32831	0.9
683.35986	1.6
701.37543	100.0
702.37830	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	701.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91421	0.3
59.01246	2.9
63.22486	0.4
69.03326	0.3
71.01250	2.6
71.46040	0.3
73.02818	1.2
77.07547	0.3
80.02544	0.5
81.03325	0.5
83.01250	0.8
83.04889	2.4
84.02028	0.4
85.02830	0.8
87.00753	0.9
89.02300	1.8
95.04919	0.5
99.00788	0.4
101.02306	2.6
113.02320	1.2
119.03387	0.5
125.06010	0.4
145.04968	0.9
157.05138	0.4
159.59952	0.3
161.04486	1.6
163.11166	2.2
165.12762	0.9
209.11768	58.9
210.12134	3.3
227.12833	7.6
235.08205	6.2
253.09274	6.9
255.23273	100.0
256.23611	7.5
340.10330	0.4
445.20609	0.5
491.32266	0.7
521.64618	0.4
537.11963	0.4
652.73828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
60.01536	0.2
61.98703	100.0
63.42880	0.2
63.76117	0.2
65.67702	0.2
69.03293	0.2
71.01263	0.7
71.53726	0.4
80.96349	0.2
87.00757	0.2
89.02348	0.2
101.02342	0.3
103.05156	0.2
113.02328	0.3
167.84416	0.2
171.10126	0.3
173.04555	0.3
197.11777	2.1
209.11769	2.7
210.12132	0.6
211.13361	0.9
223.13449	0.3
225.11388	0.3
227.12836	0.3
235.07921	0.3
237.14944	1.0
238.15257	0.8
253.09328	0.5
256.16425	0.3
273.17142	0.7
671.33282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.4
61.98708	12.8
71.01248	7.6
71.09338	1.3
72.99193	0.9
73.02803	1.0
75.00760	1.2
80.02570	1.4
81.03338	2.8
82.68053	0.8
83.01228	1.6
83.04902	8.6
84.02043	1.3
85.02835	2.4
87.00753	1.9
89.02322	4.3
93.03336	1.4
97.02821	4.7
97.06509	0.9
99.00758	1.1
101.02317	4.0
107.04918	1.1
109.06482	20.1
109.07179	1.6
111.04439	1.1
113.02335	3.4
121.06503	1.2
123.04401	1.0
123.08014	1.1
125.02319	1.0
125.09645	1.8
135.08067	2.8
136.05173	1.2
142.02657	2.0
161.04465	1.6
161.09651	1.2
162.35425	0.9
163.11209	15.7
165.12738	3.3
171.10210	2.0
179.10587	1.0
181.12286	4.8
185.11772	3.3
189.09160	0.9
191.10704	1.1
197.11768	11.0
207.10222	55.5
208.10529	2.6
209.11789	100.0
210.12138	5.6
211.13350	4.0
225.11288	29.2
226.11703	2.3
227.12859	16.5
235.08206	3.8
247.13419	1.5
249.11487	1.3
253.09268	10.1
273.16959	1.3
373.23917	1.1
399.16971	0.9
399.21741	4.5
417.22769	3.8
443.19449	2.4
445.20959	1.2
461.20273	10.0
635.30713	13.4
636.31067	2.5
653.31732	12.5
654.32184	1.8
671.32819	22.3
671.50397	1.3
672.33527	4.4
703.35358	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	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34885	20.5
52.94616	21.8
53.92672	23.6
67.27422	21.1
71.53917	29.5
73.24493	18.9
78.95789	58.0
81.15889	20.3
83.03450	20.8
98.16987	22.4
241.14507	50.2
255.23311	100.0
277.21671	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63612	9.0
71.54037	11.6
78.95779	49.1
103.43652	10.5
207.10310	13.9
209.11710	28.4
218.85429	10.1
237.26230	9.6
241.14447	74.9
255.23320	100.0
259.06042	10.6
277.21771	32.3
479.02750	10.5
704.44971	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	704.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.4
60.01576	0.4
60.19088	0.3
61.98703	100.0
71.54408	0.3
76.25584	0.2
88.20898	0.2
120.44918	0.2
120.75227	0.2
159.29213	0.2
164.49954	0.2
207.10312	0.4
209.11833	0.9
220.54535	0.3
277.21664	1.7
279.23380	0.6
367.41599	0.3
483.15549	0.7
484.15573	1.2
498.17557	0.8
542.16998	0.3
557.18805	1.5
558.19110	2.5
575.16125	0.8
643.22729	0.4
644.22516	1.3
703.25403	0.7
704.24524	4.8
705.23895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
61.91799	0.2
61.98705	100.0
71.54301	0.3
74.89824	0.2
78.95789	1.0
83.69131	0.2
101.49689	0.2
126.19838	0.2
131.09251	0.2
132.49887	0.2
152.99504	0.5
174.25157	0.2
191.05489	0.5
209.11821	0.3
315.05038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09491	3.1
59.01250	7.2
61.98704	100.0
70.68950	4.0
70.69279	7.6
71.01241	27.4
77.99197	3.2
78.95769	7.2
80.96394	10.7
89.02304	5.5
96.29246	3.6
97.02810	3.2
101.02297	4.2
103.11577	3.7
106.47191	3.3
109.06458	3.6
153.76135	3.4
169.12195	6.8
171.10194	5.1
195.99940	2.9
197.11752	18.7
199.13338	3.6
205.12201	5.0
207.10211	10.2
209.11781	99.6
210.12083	5.1
211.13345	26.0
212.13710	6.2
223.13367	56.7
225.11331	9.8
227.12892	27.6
235.08202	4.4
253.09222	10.0
273.17081	6.3
445.21014	6.8
459.22260	8.6
603.36591	3.7
651.33514	8.1
705.31964	37.7
706.33148	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	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82479	1.4
57.58628	1.3
59.01253	12.4
61.98705	76.1
69.47544	2.5
69.47955	8.1
71.01259	13.1
73.67006	1.4
78.95760	4.6
80.96390	2.7
83.59899	1.6
89.02326	3.5
97.02837	2.1
98.20519	3.2
101.02312	3.4
109.06504	1.9
113.02324	1.8
126.01135	1.4
152.99544	1.4
163.11142	3.7
169.12213	5.1
171.10132	3.2
179.05501	1.5
179.10669	1.5
183.13809	2.1
185.11667	1.7
191.05434	1.5
195.82124	1.5
197.11781	100.0
198.12088	6.7
199.13243	3.0
207.10139	8.4
209.11742	7.9
211.13365	23.0
212.13815	3.0
225.11247	10.0
227.12904	4.9
235.08163	3.1
239.19505	1.7
253.09317	6.3
273.17081	4.6
274.17267	2.7
275.17505	2.6
415.19864	2.3
433.20639	11.8
606.83954	1.8
655.32709	2.1
673.35187	1.9
705.38177	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	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.3
61.98704	1.8
64.69833	1.0
70.84761	1.2
71.01251	1.9
83.04888	4.9
84.02056	1.8
89.02328	2.0
101.02351	2.2
140.38077	0.8
160.01498	0.8
163.11182	3.1
165.12709	2.4
171.10056	1.0
191.10721	0.9
201.11223	1.0
209.11780	100.0
210.12148	7.7
227.12845	17.8
228.13063	1.5
235.08121	2.2
253.09286	6.8
259.15433	2.9
445.20932	2.3
474.18661	0.9
637.31555	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	706.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25218	0.1
57.03334	0.1
59.01257	0.6
61.98705	100.0
71.01272	0.6
71.54305	0.2
77.45506	0.1
83.04911	0.6
84.05196	0.2
85.02839	0.2
85.92151	0.1
87.00745	0.2
88.98674	0.1
89.02355	0.4
101.02332	0.4
113.02345	0.2
163.11209	0.3
165.12839	0.6
166.13126	0.3
183.13843	4.9
184.14191	1.9
191.05569	0.2
197.11795	0.4
198.12437	0.1
209.11780	5.5
210.12132	2.6
210.13959	0.2
227.12828	1.1
228.13326	0.4
253.09415	0.6
464.22006	0.3
508.09451	0.1
530.86450	0.2
546.86176	0.1
673.34332	0.9
674.34747	6.7
675.35101	0.8
706.37628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
63.78498	0.3
65.03871	0.2
66.88201	0.2
67.01763	0.9
67.83324	0.2
69.03320	0.3
69.55507	0.2
70.91887	0.3
70.92216	0.4
71.01262	1.3
73.02841	0.2
73.67777	0.2
81.03352	0.5
82.00568	0.2
83.04897	0.5
85.02831	8.4
87.00762	3.2
93.03343	5.9
94.03682	0.3
99.04415	0.3
108.85534	0.2
109.02863	1.8
111.04420	1.6
111.20695	0.2
115.00257	0.8
116.87931	0.2
118.18285	0.2
121.02823	0.6
127.03908	2.1
133.02846	0.9
135.04437	1.5
137.02344	0.3
155.03391	0.4
161.02328	2.8
162.02638	0.2
171.02866	0.7
173.04478	4.0
175.03951	0.4
179.03438	0.8
187.03981	0.4
191.05556	100.0
192.05901	3.8
219.03023	0.3
226.06097	0.3
241.05026	0.6
242.05865	2.1
243.06612	3.5
244.07018	0.3
256.33813	0.2
271.04727	0.4
271.09808	0.7
279.06799	0.4
289.05792	0.5
297.07715	0.7
323.05728	1.4
341.06671	0.4
353.08786	10.2
354.09149	0.9
359.07803	0.2
463.11102	1.7
515.11841	1.6
533.12946	0.8
707.18353	28.5
708.18738	6.0
733.27399	0.2
734.27710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.183
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82766	0.3
81.16734	0.2
85.02826	1.5
87.00795	0.3
93.03315	0.6
94.83261	0.2
118.02798	0.2
127.03928	0.4
128.35934	0.2
135.04419	0.4
161.02325	1.5
173.04433	0.6
179.03412	0.6
191.05542	100.0
192.05879	4.3
199.18604	0.2
226.74911	0.2
239.30005	0.2
283.84109	0.2
302.81650	0.2
318.50888	0.2
353.08771	18.8
354.09103	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	707.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88419	0.2
53.05559	0.2
54.19599	0.2
59.01260	0.3
70.86976	0.5
76.40336	0.2
85.02800	1.4
87.00719	0.4
93.03325	0.5
106.53929	0.2
127.03909	0.3
135.04446	0.4
152.10381	0.2
161.02324	1.8
161.98778	0.2
173.04430	0.5
179.03445	0.7
191.05534	100.0
192.05875	3.8
204.57050	0.2
233.25200	0.2
353.08676	1.2
393.95636	0.2
434.35626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
59.01252	0.9
60.99179	0.6
67.01764	1.5
69.03322	0.3
69.66438	1.5
70.48999	0.3
71.01254	1.7
72.17377	0.3
73.02843	0.3
74.02869	0.2
74.75839	0.3
74.77113	0.3
76.00571	0.3
78.41493	0.3
81.03329	0.5
83.04872	0.3
83.51440	0.3
85.02826	6.8
87.00755	3.3
93.03339	9.1
98.20510	0.5
108.02041	0.5
109.02840	2.2
111.04399	2.1
115.00282	1.9
121.02840	1.0
125.02315	0.5
127.03895	1.5
133.02840	0.7
135.04413	3.7
137.02414	0.5
155.03362	0.9
161.02351	3.3
161.05978	0.6
171.02908	0.5
173.04475	7.9
175.03865	0.5
179.03433	2.6
187.03938	0.9
191.05547	100.0
192.05869	3.3
213.05560	0.5
214.02954	0.3
219.02977	0.4
241.05103	0.8
242.05809	3.6
243.06598	5.7
244.07019	0.4
255.06471	0.4
271.04636	0.5
271.09781	2.3
289.05746	1.2
295.05972	0.4
297.07593	1.7
323.05606	2.3
341.06604	0.6
353.08704	3.9
359.07489	0.4
423.07373	0.6
463.11169	1.8
464.11404	0.4
515.11969	2.0
533.12860	2.8
534.13354	0.3
707.18280	34.4
708.18585	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
67.01752	1.5
69.71369	3.5
71.01242	1.9
81.03339	0.7
85.02818	7.7
87.00750	3.4
93.03339	12.5
98.19894	1.4
109.02822	1.8
111.04416	2.4
115.00268	2.9
117.01868	1.0
121.02907	1.1
127.03928	2.0
135.04416	2.8
151.96075	0.8
155.03394	0.9
161.02377	1.2
161.69145	0.9
169.72440	0.6
173.04474	11.2
175.03870	1.6
187.03986	1.4
191.05547	100.0
192.05859	4.9
219.02939	1.6
233.02255	0.8
241.04965	1.3
242.05815	6.0
243.06523	3.3
271.04721	1.0
271.09735	0.9
289.05615	2.4
295.06030	1.6
297.07703	3.5
323.05606	5.4
341.06516	0.7
353.08704	9.7
406.50699	0.8
463.11002	7.1
475.53824	0.8
515.12006	5.1
533.13330	1.5
561.33112	0.7
575.49084	0.7
707.18347	35.3
708.18451	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	707.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.6
60.56459	1.0
61.98706	16.5
64.27251	1.6
71.01266	1.4
78.33846	1.0
80.04944	6.6
94.02863	17.7
94.06499	2.5
96.95863	1.6
98.19768	2.9
104.04922	3.2
106.06477	2.8
107.03629	4.3
108.04447	1.4
120.04439	2.2
122.06009	31.0
124.03928	2.4
130.06490	1.4
132.04483	1.7
134.05997	8.8
136.03935	1.8
136.07593	1.9
137.04694	1.9
138.05466	5.6
139.02672	2.7
147.05440	1.3
148.03911	2.5
150.05484	6.2
152.07079	61.7
153.07410	2.5
162.05428	1.9
171.10182	1.5
173.04546	1.9
174.05493	3.5
180.06496	1.5
188.07036	2.5
190.05077	2.9
191.05525	5.0
201.10161	7.2
209.11697	1.3
211.08746	2.3
213.10239	5.2
224.09395	1.5
225.10336	3.6
227.11813	4.2
229.09766	8.7
229.13388	4.4
237.10326	3.0
238.10754	1.3
239.08250	1.3
239.11914	5.6
241.09874	1.4
245.12932	7.3
247.10800	1.7
249.10071	1.3
250.07524	2.4
251.08191	2.7
253.09789	4.5
255.11319	4.8
257.12958	4.3
259.10767	1.8
263.08200	1.4
265.09842	5.0
266.10431	1.8
267.11353	5.7
273.12265	2.2
277.09769	2.3
278.06931	3.5
278.10495	3.4
279.07608	5.1
279.11337	4.1
281.12735	1.6
289.11780	2.1
291.07797	1.4
291.11279	1.6
293.09335	15.4
294.09842	4.3
295.10938	7.3
296.11215	1.8
301.11963	12.5
302.12448	1.6
307.10818	4.2
309.12430	4.9
313.11987	4.1
319.12967	32.2
320.13199	3.1
321.08618	1.5
323.10266	4.0
325.12039	1.8
327.13574	3.1
337.08331	8.6
339.09766	2.2
355.12848	2.8
359.12698	1.8
373.13995	1.3
374.14969	7.0
386.15265	1.8
390.18152	1.2
392.16034	5.0
416.15970	6.4
417.16785	2.6
431.19031	1.3
433.16415	1.1
434.16980	3.3
442.17599	1.3
459.17780	3.9
460.18619	3.5
474.20587	3.1
476.18002	2.2
486.16901	1.5
492.21323	3.2
503.16666	2.9
504.17844	9.4
505.17612	1.5
518.19287	14.4
519.19843	2.3
539.23248	6.1
550.21930	15.2
551.22388	3.5
557.24481	6.1
571.25409	1.7
581.24097	9.0
582.24371	2.7
583.22095	7.4
584.22351	1.5
599.25104	45.7
600.25262	8.3
602.23505	1.5
615.24371	6.2
625.22925	4.4
631.27838	6.6
643.24097	44.0
644.24396	7.9
647.26648	2.0
657.25659	8.8
668.34467	1.4
675.26721	100.0
676.27081	21.0
689.28265	2.5
707.17633	1.6
707.29022	16.5
708.29401	3.5
719.22595	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	707.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.3
59.01251	4.5
60.20367	0.2
69.03342	0.3
69.83125	1.2
71.01254	3.3
72.26561	0.2
72.99186	0.3
73.02821	0.7
78.95772	1.0
82.20480	0.2
83.01251	0.3
83.04885	0.4
84.76238	0.3
85.02834	1.0
87.00738	0.6
89.02313	2.3
95.01286	0.4
96.96846	0.3
97.02839	0.3
98.19851	0.3
99.00747	0.4
100.76785	0.2
101.02325	3.0
113.02337	1.2
119.03436	0.5
131.03452	0.3
143.03430	0.2
145.04980	0.6
152.99519	1.4
161.04469	1.2
163.03078	0.2
165.12677	0.2
167.10725	0.5
167.14302	0.6
171.10240	0.4
179.05484	0.5
183.13832	7.1
184.14189	0.4
193.12271	1.8
194.12819	0.3
207.10243	0.6
211.13341	100.0
212.13689	6.4
225.11292	0.8
233.22585	0.4
235.08214	3.5
236.08543	0.3
238.80945	0.2
250.03134	0.2
253.09283	9.4
253.21606	0.3
254.09787	0.4
277.21719	91.5
278.22067	9.1
429.21387	1.1
447.22363	2.5
448.22833	0.3
453.15460	1.6
471.16455	0.4
513.30920	0.3
689.36603	0.9
690.37219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.5
69.03322	0.4
70.21313	0.3
70.84386	0.7
71.01256	3.2
73.02828	0.9
78.95782	0.9
83.04900	0.3
85.02837	0.7
87.00753	0.8
89.02326	2.8
101.02335	2.8
113.02338	1.9
119.03396	0.9
145.04890	0.5
152.99512	2.1
161.04491	1.4
167.10692	0.4
167.14319	0.4
171.10158	0.8
179.05540	0.4
183.13850	6.5
184.14209	0.6
193.12251	1.7
207.10242	0.6
211.13353	100.0
212.13702	6.3
225.11284	1.2
233.22751	0.6
235.08186	3.8
253.09282	9.1
255.23207	0.5
259.20694	0.3
277.21738	98.1
278.22076	9.2
324.07816	0.3
325.08600	0.3
381.09106	0.3
412.96271	0.3
429.21259	0.9
435.14084	0.3
447.22379	2.2
453.15173	1.7
513.30804	0.3
598.20349	0.3
689.36743	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	709.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79685	0.9
59.01241	1.0
62.14771	0.9
63.96081	1.0
71.01257	9.0
71.37650	1.6
73.02844	1.0
78.98458	5.6
79.95610	13.4
80.96393	76.9
82.41935	0.9
85.02817	2.8
87.00734	2.8
94.97960	15.6
96.95874	1.7
97.02788	1.3
101.02325	2.9
103.42684	1.0
106.97947	3.1
122.97453	3.5
125.02334	2.8
127.03853	1.2
134.97456	6.2
136.99065	2.1
148.99046	6.6
152.98540	5.6
153.09038	1.0
164.98561	12.9
171.10182	1.8
206.99628	3.1
225.00723	18.5
255.23312	1.4
279.23096	2.4
405.71600	1.1
417.38934	1.2
418.47052	1.0
453.14334	3.5
478.87054	1.1
537.27112	1.5
709.38391	100.0
710.38702	22.1
721.88153	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83657	0.4
57.03315	1.7
59.01242	4.7
60.83414	0.4
65.02116	0.4
69.03320	0.7
70.74416	1.0
71.01258	3.6
73.02810	1.1
78.95777	6.4
81.03343	1.0
83.01249	0.9
83.04895	2.2
85.02820	1.9
87.00733	1.2
89.02317	2.2
95.04903	1.6
96.96863	0.8
97.02800	0.5
97.06468	5.8
101.02321	3.9
105.70895	0.5
113.02328	1.7
119.03374	0.9
125.09603	0.7
127.11143	0.7
133.10164	0.8
145.05005	0.8
149.09607	1.3
151.11185	16.3
152.11569	0.9
152.99495	9.9
157.58510	0.5
161.04469	1.1
169.12256	44.9
170.12608	1.7
171.00574	1.0
171.10118	1.0
181.12047	0.5
195.10187	4.4
201.11246	8.1
202.11560	0.6
209.11794	9.4
210.12067	0.5
213.11249	8.9
227.12833	1.2
235.08234	1.8
253.09319	3.5
253.21730	2.0
277.21716	57.0
278.22037	5.8
372.75793	0.5
431.19128	3.9
437.15997	0.9
449.20209	3.8
455.16898	2.2
473.17920	9.3
474.18076	0.8
544.92578	0.4
691.38727	1.9
692.38599	0.7
709.41443	100.0
710.41772	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
57.19577	0.5
58.00484	0.7
59.01253	6.7
66.13272	0.5
68.72754	0.4
69.03333	0.5
70.10316	1.0
70.10690	1.2
71.01257	5.8
73.02811	0.6
78.95781	6.9
83.01254	1.0
83.04899	1.6
85.02812	1.3
87.00752	0.9
89.02325	3.3
95.04921	0.7
96.44248	0.5
97.06458	3.1
101.02332	3.7
102.00972	0.6
113.02328	2.4
115.78900	0.4
119.03365	0.9
127.11215	0.6
134.19238	0.4
149.09615	0.6
151.11194	14.8
152.99507	11.0
161.04509	1.3
165.09148	0.6
169.12262	100.0
170.12625	5.6
171.00511	1.1
171.10121	1.3
195.10188	3.0
201.11299	10.4
201.13158	0.6
209.11798	11.8
210.12242	0.8
211.13301	0.7
213.11281	13.2
214.11598	0.8
227.03333	0.5
227.12799	1.0
235.08177	1.2
253.09320	3.2
253.21706	1.9
277.21729	25.4
278.22092	2.1
287.14938	0.7
360.39618	0.5
381.13351	0.8
390.42068	0.5
405.21051	0.5
431.19159	2.7
449.20236	8.5
450.20718	1.1
455.16830	3.1
473.18018	9.5
474.18460	1.1
501.14120	0.5
661.17188	0.5
691.37964	1.3
709.41425	96.4
710.41791	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22529	0.4
59.01251	14.7
61.98711	2.4
69.03327	1.9
69.82124	2.1
71.01247	3.1
71.04903	0.6
78.95751	0.6
85.02819	0.7
87.00727	0.6
89.02315	2.6
98.20026	1.3
101.02327	2.2
106.97808	0.5
109.06464	0.5
111.08035	0.5
113.02335	1.4
116.92743	0.6
119.03358	1.0
125.09637	3.2
149.09590	0.5
161.04471	1.6
167.10716	1.7
177.12802	0.6
179.05542	1.0
179.14374	2.0
183.13832	6.7
184.14195	0.6
187.09677	2.4
191.05417	1.3
193.12296	1.6
195.13846	6.2
201.11325	0.8
205.12265	6.8
209.11794	0.7
211.13347	100.0
212.13712	6.0
223.13356	69.6
224.13696	4.9
230.05666	0.5
235.08238	3.3
253.09265	7.4
254.09650	0.5
293.21295	0.9
302.48700	0.6
309.79034	0.6
333.46179	0.5
338.34686	0.5
399.25461	0.5
417.26498	0.9
423.19568	0.5
429.21423	1.3
441.21454	1.7
447.22369	6.7
448.22504	1.2
459.22391	9.7
460.22858	1.4
635.34418	2.8
636.34418	0.6
653.35498	2.1
709.32489	0.5
713.37463	1.5
714.38269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29375	1.8
59.01257	30.1
61.98701	8.8
67.42776	1.8
69.40029	10.4
69.40449	3.7
71.01261	27.2
72.99175	2.3
73.02824	4.1
83.01275	2.6
85.02848	4.5
87.00768	4.3
89.02326	25.6
95.01257	2.9
97.02831	3.7
101.02345	23.3
105.75653	1.8
113.02365	10.6
114.63618	1.9
119.03376	8.4
125.02333	7.9
142.57971	1.8
143.03384	3.5
161.04471	4.9
179.05577	4.0
221.06664	2.9
235.08282	9.4
255.23305	74.4
256.23584	8.0
263.07755	2.3
287.07736	3.4
305.08838	2.7
349.19360	1.9
388.60324	2.3
397.13547	100.0
398.13882	5.7
415.14633	28.8
440.06873	2.0
577.52423	2.0
653.36731	3.3
687.60352	2.3
703.92987	2.2
737.25079	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	713.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
58.00471	2.4
58.44813	1.1
59.01253	34.3
62.89638	1.2
70.51308	1.3
71.01252	26.1
72.99188	2.1
73.02819	4.4
83.01263	3.3
85.02833	7.1
87.00779	6.1
89.02322	26.0
95.01266	2.2
97.02839	5.1
99.00775	2.1
101.02330	20.9
102.59027	1.3
109.02797	1.3
113.02325	10.8
119.03365	8.8
122.65634	1.3
125.02333	11.6
131.03352	1.9
143.03377	2.9
154.57385	1.3
155.29439	1.5
161.04442	5.2
179.05502	5.6
235.08122	12.7
253.09103	2.2
255.23285	85.2
256.23633	8.2
263.07724	1.4
279.56290	1.3
287.07742	3.6
304.74911	1.4
305.08710	4.5
323.09787	1.9
397.13513	100.0
398.13934	8.4
415.14609	32.9
416.15268	1.8
653.37836	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	715.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17081	0.7
58.69001	0.8
59.01260	4.8
67.01736	1.0
71.01250	3.6
76.02368	0.7
81.03315	1.9
83.04897	3.7
87.00743	3.0
89.02311	4.4
93.03343	10.1
95.01270	1.2
96.95885	1.7
99.00771	1.7
100.07235	0.7
101.02332	2.1
109.02842	2.4
111.04409	13.0
112.04733	0.9
113.00341	1.3
113.02345	1.8
119.03413	1.7
127.03893	0.9
133.02824	1.8
134.03639	0.9
135.04427	9.0
136.01581	0.8
137.02354	4.2
139.60573	0.9
139.61592	0.7
151.03893	0.9
153.03465	1.2
155.03410	7.3
161.02374	10.3
162.02974	0.8
163.03935	0.8
165.05377	1.2
171.00443	0.7
173.04512	1.7
178.90224	0.7
179.03342	3.1
181.03026	1.1
183.01003	0.8
191.05550	1.4
195.06589	0.9
198.44405	0.7
199.04117	7.9
217.05190	4.4
223.04192	1.5
269.04752	13.6
287.05829	1.5
297.04193	1.1
298.05096	0.8
309.07941	6.1
311.09262	1.0
327.08923	1.9
337.07394	1.8
340.67340	0.8
354.08688	1.6
355.08429	27.7
356.08722	2.5
361.07330	1.9
373.09439	18.6
373.13715	1.4
374.09869	2.4
391.10535	4.1
449.08932	1.7
535.12567	11.7
536.12933	2.7
553.13867	10.1
554.14056	1.5
616.46637	0.8
661.92908	0.8
715.16931	100.0
716.17200	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1691
Annotation	Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
58.17081	0.7
58.69001	0.8
59.01260	4.8
67.01736	1.0
71.01250	3.6
76.02368	0.7
81.03315	1.9
83.04897	3.7
87.00743	3.0
89.02311	4.4
93.03343	10.1
95.01270	1.2
96.95885	1.7
99.00771	1.7
100.07235	0.7
101.02332	2.1
109.02842	2.4
111.04409	13.0
112.04733	0.9
113.00341	1.3
113.02345	1.8
119.03413	1.7
127.03893	0.9
133.02824	1.8
134.03639	0.9
135.04427	9.0
136.01581	0.8
137.02354	4.2
139.60573	0.9
139.61592	0.7
151.03893	0.9
153.03465	1.2
155.03410	7.3
161.02374	10.3
162.02974	0.8
163.03935	0.8
165.05377	1.2
171.00443	0.7
173.04512	1.7
178.90224	0.7
179.03342	3.1
181.03026	1.1
183.01003	0.8
191.05550	1.4
195.06589	0.9
198.44405	0.7
199.04117	7.9
217.05190	4.4
223.04192	1.5
269.04752	13.6
287.05829	1.5
297.04193	1.1
298.05096	0.8
309.07941	6.1
311.09262	1.0
327.08923	1.9
337.07394	1.8
340.67340	0.8
354.08688	1.6
355.08429	27.7
356.08722	2.5
361.07330	1.9
373.09439	18.6
373.13715	1.4
374.09869	2.4
391.10535	4.1
449.08932	1.7
535.12567	11.7
536.12933	2.7
553.13867	10.1
554.14056	1.5
616.46637	0.8
661.92908	0.8
715.16931	100.0
716.17200	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.9
61.90830	0.8
61.98698	0.9
63.08695	0.9
63.09132	0.8
69.53848	0.9
71.01263	1.5
71.54063	1.0
72.86476	0.8
76.66807	0.9
85.02905	0.9
89.02319	1.9
101.02345	2.4
113.02294	1.2
113.09637	6.0
132.45670	0.9
159.10182	100.0
160.10522	4.0
166.04233	0.9
235.08209	1.5
253.09271	11.6
277.21729	48.9
278.22144	5.8
280.23627	1.5
388.00381	1.0
395.19354	1.3
419.31625	11.2
420.32162	1.7
436.07089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98909	1.1
54.18534	1.2
59.01259	13.6
61.98701	1.2
64.46281	1.2
67.70061	1.1
70.46545	1.0
71.01267	2.6
71.53545	1.1
73.02874	1.3
89.02342	2.1
101.02302	2.6
112.82162	1.1
113.02429	1.4
113.09612	4.1
119.03475	1.7
133.84299	1.1
159.10178	66.3
160.10527	2.8
235.08170	4.2
253.09282	11.4
277.21729	100.0
278.22137	12.9
279.23395	2.1
321.29633	1.1
419.31711	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	717.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39869	1.4
54.24702	1.2
56.08688	1.1
59.01242	4.4
61.96243	1.1
61.98702	47.1
63.29334	1.0
63.47524	1.0
71.01251	3.4
73.02782	1.3
73.24442	1.2
75.00758	1.5
81.03345	1.1
83.04884	5.1
85.02850	1.1
87.00782	1.5
88.98708	1.1
89.02320	3.4
101.02332	3.8
113.02335	2.1
157.08600	2.9
163.11266	2.6
165.12733	3.4
171.10172	2.0
173.04482	1.7
183.13860	6.5
193.12233	1.7
207.10211	2.6
209.11781	99.7
210.12122	7.4
211.13347	100.0
212.13672	6.1
223.13312	1.5
225.11227	1.4
227.12868	14.7
235.08145	5.0
235.90373	1.2
253.09309	9.0
271.15448	5.9
273.16962	1.6
341.23260	2.3
343.28668	1.3
346.22089	1.4
422.26733	1.3
445.21017	1.7
447.22269	6.1
661.77222	1.4
717.39716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52894	1.2
57.03311	1.9
59.01239	3.9
61.98701	2.5
63.86499	1.2
66.77625	1.2
68.03770	1.4
71.01252	10.8
71.54146	1.8
73.02820	3.4
87.00758	7.2
89.02316	25.4
96.95896	3.0
101.02316	2.8
109.06524	2.2
111.04404	4.0
123.08031	4.8
125.02356	1.9
128.88655	1.5
135.08003	3.5
136.05225	3.5
138.06795	2.2
139.07507	1.4
141.09081	2.4
144.94708	1.3
150.06764	8.0
153.09088	7.4
155.10715	1.5
161.02411	1.3
162.06781	25.4
163.07487	5.6
164.08173	1.7
165.09155	2.7
173.08118	4.2
175.07526	2.6
176.08360	8.5
177.09148	19.0
177.31886	1.4
179.10684	4.7
187.09715	10.3
189.07634	13.4
217.10768	14.4
221.11888	2.1
273.46332	1.4
303.31601	1.6
336.19632	2.3
341.19623	4.4
357.08932	1.7
359.20523	2.3
364.22986	1.8
380.66074	1.4
381.22839	1.9
427.40210	1.4
446.27087	1.4
503.14825	1.6
520.50598	1.5
537.30566	5.5
543.27899	4.0
687.36169	3.0
699.35950	11.2
717.18878	8.9
717.37054	100.0
718.37683	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
61.98704	100.0
69.43794	0.3
69.44196	1.0
72.98051	0.2
75.00729	0.3
76.61140	0.2
78.95779	0.3
98.19947	0.5
98.20527	0.4
101.02368	0.2
101.17598	0.2
101.25877	0.2
103.32475	0.2
171.10185	1.2
207.10303	0.4
209.11754	1.9
210.12071	0.4
211.13406	0.5
227.12885	0.7
239.13046	0.2
253.09256	0.5
264.38623	0.2
273.17065	1.5
327.21838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
59.01577	0.2
61.98705	100.0
62.98399	0.4
66.37444	0.2
69.61237	1.2
71.01254	0.6
73.02838	0.2
73.04270	0.2
83.01255	0.2
83.04900	0.8
89.02334	0.4
93.03326	0.2
96.95908	0.2
101.02341	0.6
108.05241	0.2
113.02348	0.3
125.09628	0.5
163.11275	0.4
165.12804	0.4
166.99992	0.2
171.10248	0.4
181.12242	0.3
191.05664	0.2
191.10791	0.3
205.73581	0.2
209.11783	12.5
210.12242	0.2
211.13438	0.6
227.12877	1.8
235.08301	0.6
243.79247	0.2
253.09164	1.4
273.17078	10.9
308.99048	0.2
354.81793	0.2
465.29276	0.3
729.88129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01907	0.1
59.01254	0.3
61.98705	100.0
69.24158	1.3
73.23013	0.1
78.46400	0.2
78.95792	0.2
79.99023	0.1
80.96379	0.2
98.20593	0.3
143.74457	0.2
168.61104	0.2
190.77115	0.2
197.11761	1.1
199.13240	0.2
202.05963	0.1
209.11807	0.7
211.13319	1.6
211.14879	0.2
227.12941	0.5
237.69164	0.2
246.47855	0.1
253.09277	0.2
273.17126	0.4
328.96820	0.1
524.81738	0.2
718.39496	0.2
726.41180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79169	0.5
57.01776	0.6
57.30259	0.5
59.01245	1.1
61.98706	33.3
74.69154	0.4
75.75327	0.4
78.19127	0.5
78.95780	14.3
81.03323	0.7
83.04899	2.3
84.02068	0.8
89.35445	0.6
94.31512	0.5
98.20573	1.2
121.99985	1.5
140.01096	7.1
141.18979	0.6
152.99467	0.7
163.11185	1.7
165.12675	1.2
191.63988	0.5
196.03723	2.1
205.08693	1.1
209.11772	25.0
210.12045	1.3
223.09630	1.3
227.12860	6.4
229.21407	0.5
259.93384	0.5
277.21738	3.8
279.23291	100.0
280.23624	9.9
299.85989	0.5
406.16461	2.3
424.17667	0.8
456.19818	2.9
524.81030	0.7
544.12598	0.6
686.40289	9.7
687.40625	1.7
718.43024	28.2
719.43164	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	718.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.0
61.98697	1.8
69.89616	4.1
78.95787	20.7
80.02555	2.2
81.03341	2.0
83.04900	7.1
84.02037	1.4
95.04940	1.4
96.96851	1.4
113.54319	0.8
122.00014	1.3
125.05991	1.4
135.08092	1.0
140.01115	7.2
150.62546	0.8
152.28714	0.8
163.11209	6.0
165.12798	4.6
191.10826	2.3
191.82806	0.8
195.56802	0.9
196.03755	2.5
207.61281	1.0
209.11797	100.0
210.12163	5.6
223.09793	1.0
227.12866	26.1
228.13310	1.6
259.15689	1.2
277.21863	2.5
279.23318	56.8
280.23743	4.4
476.27771	4.5
686.40308	17.3
687.40851	3.5
718.43097	42.7
719.43646	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	719.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31840	0.9
54.84910	0.9
57.03325	1.4
59.01247	6.4
61.98709	45.8
69.03314	5.1
71.01261	6.6
71.04903	2.0
71.33869	1.6
80.96397	1.5
81.03349	1.7
83.01267	2.0
83.04901	5.6
84.02052	1.4
85.02835	1.9
87.00764	1.4
89.02307	3.2
94.97968	1.2
96.95898	1.3
97.06466	2.1
99.00760	1.3
101.02328	5.5
112.96481	1.2
113.02338	2.6
119.03382	1.1
125.09647	2.2
129.58699	1.0
130.99577	1.0
133.04890	1.1
151.11176	2.3
153.12727	1.9
161.09615	4.0
163.11200	4.7
165.12799	1.6
166.74629	1.0
171.10147	1.1
179.10707	7.8
191.10718	1.1
197.11783	85.0
198.12170	5.5
209.11789	56.7
210.12134	3.7
223.09639	1.9
227.12845	5.2
235.12628	1.2
241.10803	3.1
253.09296	4.2
273.17090	3.0
295.17435	1.0
378.12830	1.1
477.19904	3.0
687.32379	100.0
688.32819	20.1
719.35358	24.4
720.35889	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	719.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.0
61.98711	100.0
69.03336	1.7
69.96551	1.8
69.96945	2.3
71.01242	3.5
78.95764	2.4
84.02030	1.1
89.02319	2.0
98.19830	1.2
101.02345	2.1
113.02341	1.5
138.64935	0.9
161.04474	1.3
169.12260	4.5
183.13861	5.6
193.12204	1.4
197.11790	76.2
198.12138	3.6
199.13438	1.6
207.10185	2.1
209.11761	5.2
210.11890	1.1
211.13361	70.4
212.13846	2.1
227.12914	5.2
235.08273	2.8
239.12854	2.4
253.09306	6.8
255.23271	1.8
273.17093	10.5
291.19818	1.7
332.83807	1.0
382.74149	1.3
391.81506	1.0
433.20883	7.0
447.22272	4.4
609.32605	2.8
719.39545	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	719.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03327	0.4
58.00488	0.2
59.01250	3.3
61.98705	7.9
65.80028	0.1
66.28181	0.1
69.03333	0.3
71.01252	3.2
71.04907	0.2
71.54224	0.2
71.54620	0.2
72.99205	0.3
73.02821	0.6
75.00742	0.2
78.95810	0.1
80.02540	1.1
81.03336	1.6
83.01254	2.5
83.04899	4.6
83.22151	0.1
84.02038	1.9
85.02826	1.2
87.00768	0.6
88.98677	0.2
89.02318	2.4
93.03333	0.2
93.11700	0.1
95.01251	0.2
95.04926	0.8
97.02825	0.4
97.06477	0.2
99.00758	0.2
99.04414	0.1
101.02326	2.7
109.06458	0.4
111.08026	0.3
113.02328	1.3
119.03387	0.7
125.02350	0.2
125.05965	0.4
125.09621	2.4
127.11174	0.6
135.08046	0.8
143.03476	0.2
145.04953	0.2
145.10146	0.2
147.11736	0.4
153.09132	0.2
161.04498	1.5
161.09552	0.2
163.11209	4.4
165.12769	2.7
166.13120	0.2
169.12299	0.2
171.10187	1.7
173.09595	0.3
179.05521	0.3
179.10858	0.2
181.12215	0.7
182.13014	0.4
185.11800	0.1
191.10736	2.7
195.10225	0.7
197.11795	0.3
199.13292	0.4
207.10272	0.3
209.11777	100.0
210.12120	6.0
211.13362	0.4
223.13326	0.8
226.12065	0.5
227.12839	11.5
228.13281	0.7
235.08199	2.8
236.08516	0.1
239.12790	0.3
241.14458	1.3
243.16048	0.8
253.09274	10.4
254.09666	0.4
273.17072	73.4
274.17407	5.1
297.17108	0.2
445.20779	1.3
463.21915	0.2
465.28604	1.4
466.28851	0.2
483.29541	0.3
509.26086	0.9
719.38452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98397	0.2
71.09188	0.2
80.96412	0.2
94.97829	0.1
98.90986	0.1
115.63573	0.1
119.77925	0.1
121.82977	0.1
164.73575	0.1
209.11740	0.7
209.96199	0.1
211.11713	0.1
211.13364	0.6
212.13632	0.1
246.91933	0.1
253.74062	0.1
273.17209	0.2
274.17426	0.2
304.21472	0.1
306.16891	0.1
352.31064	0.1
438.68326	0.1
447.22321	0.1
663.34967	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	720.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98705	100.0
71.01256	0.7
71.54052	0.2
78.95792	0.5
79.95612	0.5
80.96404	2.1
88.24419	0.2
90.06825	0.2
94.97974	0.5
95.70467	0.2
96.95921	0.3
102.35390	0.2
137.06004	0.5
148.99109	0.3
164.98579	0.6
165.05518	0.8
171.10167	0.3
197.11746	0.5
209.11760	2.2
210.12079	0.4
211.13358	1.7
215.12898	0.3
225.00638	0.4
225.11377	0.3
227.12894	0.6
253.09351	0.4
262.43103	0.2
267.81912	0.2
273.17209	1.0
274.17422	0.6
459.00732	0.2
495.33334	3.2
496.33801	0.3
646.33850	0.7
657.38129	1.1
721.31140	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	721.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.2
67.01767	2.0
69.69398	5.6
71.01262	2.5
74.00454	0.9
85.02840	10.3
87.00764	3.8
93.03334	13.3
93.22086	0.9
109.02799	1.4
109.65776	1.0
111.04401	3.3
115.00296	1.8
117.03323	2.3
127.03876	2.5
134.03627	14.5
135.04366	3.1
149.05914	1.3
161.02303	2.0
171.02829	1.1
173.04498	11.4
179.03493	2.5
191.05547	100.0
192.05861	4.8
193.04990	17.5
193.06561	1.6
201.61885	1.2
211.14258	1.0
241.04933	1.2
242.05774	4.8
250.54449	1.2
257.08173	4.4
285.11172	5.3
289.06113	1.4
337.07269	1.3
353.08755	3.2
367.10419	9.5
373.09259	1.6
437.75894	1.2
444.52441	1.1
463.10938	1.8
529.13861	2.1
547.14545	3.5
560.20844	1.2
593.31024	1.2
703.12726	1.1
721.19873	35.9
722.20313	5.7
749.59387	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	721.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73083	0.9
56.90028	0.9
60.99183	1.1
67.01753	2.5
69.03335	0.9
71.01248	3.3
72.20807	0.8
81.03351	1.1
83.04889	1.9
85.02399	1.2
85.02824	9.8
87.00754	4.3
93.03342	18.6
98.88863	0.9
108.48647	1.0
109.02837	3.7
111.04391	2.8
115.00253	4.3
115.46722	0.8
122.03614	3.9
124.01517	1.4
127.03909	2.9
129.01855	1.0
133.02823	3.9
135.04414	3.1
137.02284	1.5
147.04378	2.6
155.03357	1.8
161.05981	2.3
163.03889	0.9
171.02956	1.0
173.04468	10.7
179.03326	1.5
191.05540	100.0
192.05882	4.6
193.22377	0.8
212.63759	0.9
235.14565	0.8
241.05067	1.2
242.05898	4.7
255.06656	1.4
257.08176	2.2
270.08969	3.4
283.09558	1.1
285.11365	16.9
286.11597	2.0
289.05746	2.6
289.85675	0.9
311.09247	1.8
353.08942	1.3
355.08105	1.8
355.72363	1.0
373.09293	9.4
463.10608	1.4
529.13654	1.5
547.14581	27.6
548.14801	3.3
588.13336	1.0
721.19849	26.1
722.20502	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	721.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03151	0.9
57.03331	1.9
59.01253	6.4
61.27848	0.9
61.98704	50.6
65.93789	1.0
71.01246	7.3
71.04887	4.0
73.02826	2.1
79.95592	2.5
80.96387	8.3
81.03353	1.0
83.04897	5.6
84.02045	1.1
85.02815	2.5
87.00751	2.7
88.85255	1.0
89.02315	3.6
94.97976	1.3
95.04896	1.8
96.95895	1.2
97.02830	2.8
97.06461	2.1
99.00761	16.2
101.02325	4.2
109.06476	2.2
113.02343	3.5
123.08099	1.5
125.02292	1.5
125.09623	8.1
135.08064	1.7
142.02596	1.5
152.98564	1.2
153.12706	1.5
161.04472	2.4
161.09616	1.0
163.11211	13.5
164.98561	2.0
165.12730	2.7
171.10181	30.7
181.12257	20.5
191.05493	1.4
197.11725	1.7
199.13362	11.3
207.10220	24.8
208.10512	1.9
209.11780	74.1
210.12135	5.3
225.00601	2.3
225.11285	46.1
226.11612	2.6
227.12874	9.8
235.08101	2.5
243.12360	21.9
253.09309	5.2
393.80157	1.0
407.19464	2.2
445.20782	2.1
461.20123	4.1
479.21198	7.1
671.32776	4.2
689.33911	100.0
690.34106	15.8
721.30121	8.2
722.32068	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	721.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
57.03329	0.7
58.00487	0.4
59.01254	7.5
61.98715	0.3
69.03346	0.8
70.04211	0.9
70.35081	0.3
71.01258	6.5
71.04898	0.3
72.99204	0.3
73.02837	1.4
80.02560	0.6
81.03333	1.6
83.01270	0.9
83.04908	1.8
85.02845	1.3
87.00763	1.2
89.02327	5.0
93.03325	0.4
95.01292	1.9
95.04914	4.0
97.02832	3.9
97.06504	0.4
99.04416	1.2
101.02339	5.7
106.04151	0.7
107.04888	0.6
109.02851	0.7
109.06491	8.9
110.03631	2.3
111.04422	1.7
113.02355	3.1
119.03447	1.6
121.06477	0.8
121.48122	0.3
123.08082	0.4
125.09653	0.5
135.08078	1.3
137.09628	0.4
142.02560	0.3
143.03439	0.7
145.04973	1.2
145.10094	0.6
145.15692	0.3
149.09624	0.4
151.07672	0.3
151.11237	0.7
153.12717	0.5
161.04514	2.8
161.05759	0.5
161.09631	2.0
162.48631	0.3
163.07495	0.4
163.11212	10.5
164.11562	0.4
167.10730	0.3
169.12224	0.7
177.09210	0.4
179.05557	1.7
179.10709	2.0
181.12285	2.1
182.12636	0.3
189.09160	4.6
197.11728	1.3
207.10226	31.4
208.10594	2.0
209.11786	1.5
225.11296	100.0
226.09480	0.7
226.11633	7.2
228.13693	0.4
235.08188	7.2
253.09297	10.7
253.99194	0.3
254.09770	0.5
259.20557	0.4
275.20096	0.4
277.21747	62.6
278.22089	5.9
293.52234	0.3
299.15195	0.7
443.19217	8.1
444.19775	0.9
461.20340	17.8
462.20621	1.9
467.31485	0.5
577.10620	0.3
721.41669	11.3
722.42029	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98915	0.5
51.55314	0.5
52.25740	0.4
54.98327	0.5
58.00472	0.6
59.01249	12.4
68.85033	0.4
69.03312	0.8
69.95965	1.7
69.96356	1.1
71.01250	7.9
72.99182	0.8
73.02821	1.3
74.18907	0.4
80.02552	0.9
80.49192	0.4
81.03336	1.8
83.01247	1.4
83.04895	2.4
83.48959	0.4
84.02007	0.5
85.02808	1.4
87.00755	2.0
88.98695	1.6
89.02317	6.7
92.58241	0.4
93.03392	0.5
95.01251	1.4
95.04892	3.3
97.02825	5.6
97.06494	1.1
99.00758	2.0
99.04414	0.7
101.02331	6.1
106.04142	0.6
107.04903	0.9
109.02856	0.6
109.06479	23.7
110.03627	1.9
111.04372	1.0
113.02327	2.9
119.03374	1.8
120.81485	0.5
121.06460	1.9
123.04406	0.6
135.08064	2.9
136.05200	1.3
142.02606	1.5
143.03397	1.0
145.04985	0.5
145.10112	1.1
153.12634	0.6
161.04486	2.5
161.09605	2.3
163.11197	16.7
164.11606	1.3
165.09053	0.5
169.12363	0.6
179.05501	2.6
179.10696	1.5
181.12274	4.6
188.82010	0.5
189.09154	4.9
190.09532	0.7
197.11842	1.1
207.10202	77.1
208.10559	4.6
209.11821	3.2
211.13292	1.4
225.11270	100.0
226.11572	5.0
235.08197	5.2
243.12370	0.8
253.09262	14.0
256.65848	0.5
260.48367	0.6
275.20023	1.8
277.21719	79.5
278.22076	7.1
288.68549	0.6
291.19644	1.1
299.14966	1.3
423.32758	0.8
441.33868	0.7
443.19144	9.2
444.19461	1.0
461.20285	22.8
462.20663	2.0
498.17966	0.5
588.40601	0.5
676.44513	0.6
703.40460	1.0
721.41669	27.8
722.41931	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	723.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56646	0.3
59.01245	0.8
60.99175	1.3
67.01760	2.8
69.03336	0.3
71.01252	1.5
81.03333	0.9
83.04900	0.6
85.02821	5.4
87.00232	0.4
87.00757	6.6
89.03864	0.3
89.64807	0.3
93.03338	22.5
94.03671	0.9
97.99664	0.3
99.00758	0.6
99.04424	0.4
105.03351	0.9
107.04903	0.5
109.02847	1.8
111.04404	3.6
121.02860	0.8
122.03696	0.4
123.04410	27.4
124.04758	0.8
125.02341	0.3
127.03925	1.6
133.02853	8.6
134.03181	0.5
135.04410	0.9
135.33308	0.3
137.02377	0.5
139.03912	0.5
149.02371	2.0
151.03906	1.0
153.01854	0.6
155.03423	1.0
161.02327	0.9
166.26955	0.3
171.02866	0.4
173.04472	19.6
174.04810	1.0
177.01854	14.1
178.02222	1.0
179.03421	0.7
191.05542	100.0
192.05888	5.0
195.02916	8.7
195.04692	0.5
197.12790	0.3
215.05569	2.0
307.08020	0.3
321.03839	0.4
325.50519	0.3
339.05157	0.5
351.07169	5.9
352.07422	0.5
353.08707	5.3
354.09180	0.8
368.07199	0.5
369.08240	46.2
370.08649	5.0
513.10406	0.4
531.11414	1.1
723.18060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95265	0.5
59.01239	1.0
67.01748	0.8
71.01250	0.9
83.51945	0.5
85.02811	6.0
87.00764	2.0
93.03326	5.0
94.03689	0.7
109.02833	1.5
111.04397	1.3
123.04410	5.4
127.03889	1.9
133.02870	3.2
135.04388	1.0
151.03958	0.7
161.02405	1.6
173.04501	2.1
177.01843	5.6
179.03351	0.6
191.05545	100.0
192.05884	5.6
193.06104	0.8
195.02924	1.1
212.41716	0.6
255.20233	0.5
353.08752	10.1
354.09070	1.0
369.08221	4.4
400.83710	0.6
511.93082	0.5
541.37231	0.6
570.97327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.0
60.99169	1.2
67.01762	3.4
69.03352	0.9
71.01258	1.9
71.42927	0.7
83.04904	1.1
85.02828	6.6
87.00761	6.6
93.02758	1.4
93.03341	25.9
94.03686	1.0
105.03335	0.9
107.04922	0.6
109.02833	2.1
111.04424	3.8
121.02837	0.8
123.04417	32.2
124.04774	0.9
127.03893	1.3
129.01845	0.9
130.77560	0.6
133.02856	11.5
135.04448	0.8
144.43500	0.6
149.02393	1.3
151.03920	1.5
155.03391	1.5
161.02391	0.7
173.04472	17.7
174.04750	0.7
177.01846	13.9
191.05547	100.0
192.05888	5.9
195.02924	8.9
196.03229	1.1
204.26384	0.6
209.41359	0.7
215.05487	1.4
234.01524	0.6
305.52084	0.7
338.69409	0.7
351.07339	4.9
353.08746	4.0
369.08231	34.0
370.08527	2.9
451.32874	0.8
521.60101	0.7
567.73798	0.7
723.18774	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	723.272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	3.5
58.12080	2.7
59.01252	59.9
70.54082	2.3
71.01257	49.4
71.04517	2.3
72.99194	3.7
83.89069	2.4
85.02827	7.7
86.62319	2.5
87.00760	2.8
89.02324	57.1
95.01264	3.0
101.02331	20.3
105.01788	2.7
113.02320	19.1
119.03397	24.0
136.23711	2.6
143.03391	7.8
147.04425	100.0
148.04773	4.8
149.04442	3.5
161.04440	9.7
169.69101	2.6
179.05560	38.8
191.05537	18.9
233.06660	5.2
236.51920	2.6
248.46362	3.0
252.62469	2.9
327.10852	69.1
328.11255	3.8
450.09619	2.7
491.79834	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52086	0.7
53.61742	0.7
58.46460	0.7
73.02833	0.8
73.13153	0.7
85.02825	4.5
85.69713	0.8
87.00741	1.0
93.03334	2.9
96.95885	13.1
119.04877	1.2
127.03826	1.1
145.02774	0.8
163.03897	1.7
173.04471	1.8
176.42682	0.9
191.05545	100.0
192.05858	3.9
226.38190	0.8
229.89592	1.1
271.02499	1.5
300.02710	1.7
337.09262	24.4
338.09897	1.9
353.08694	1.1
581.76013	0.8
605.76434	0.8
625.13898	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49625	0.5
53.68851	0.5
59.01247	0.6
69.88038	2.2
71.01263	0.8
72.38630	0.5
73.02802	0.6
85.02827	6.3
86.20135	0.5
87.00765	1.2
93.03328	3.8
96.95895	11.8
111.04420	0.9
119.04980	0.7
127.03887	2.0
147.40280	0.5
163.03973	1.6
171.02881	0.7
171.96053	0.5
173.04448	1.5
191.05544	100.0
192.05934	4.4
271.02551	1.1
289.44183	0.7
300.02734	2.7
307.20657	0.4
337.09283	24.1
338.09579	1.4
625.14044	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	723.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	4.0
61.98706	28.2
71.01254	3.8
80.02602	1.4
81.26800	1.3
83.04890	1.5
87.00735	1.4
89.02305	2.1
96.95896	2.1
101.02325	4.1
110.20290	1.4
113.02285	1.7
163.11147	3.6
165.12737	1.6
171.10187	4.5
173.04443	2.0
191.10652	1.6
201.11253	23.0
202.11655	1.9
209.11781	100.0
210.12119	7.9
224.45862	1.3
225.11259	3.1
227.12878	13.0
228.13170	1.7
228.19801	1.5
235.08157	2.2
253.09302	9.9
445.20596	3.5
462.90533	1.5
576.40869	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	723.41
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63316	0.8
59.01244	0.7
59.38211	0.6
70.29547	0.8
70.29883	1.5
73.10443	0.7
77.16112	0.7
78.95784	37.5
80.02568	1.9
81.03345	1.9
82.45338	0.6
83.04894	8.2
84.02038	1.2
95.04967	0.8
96.96848	2.4
98.19933	0.8
135.08075	1.2
143.22612	0.7
152.99507	48.0
153.99901	1.1
163.11209	5.2
165.12753	2.4
171.00546	4.6
191.10707	1.9
208.23488	0.8
209.11798	100.0
210.12189	5.5
227.03308	3.8
227.05154	0.7
227.12880	9.8
245.04301	1.1
253.21747	18.9
254.22087	1.7
259.15442	1.5
277.21768	2.7
363.12213	2.7
395.14822	2.6
403.41599	0.7
437.16147	3.1
455.11734	0.9
455.17023	8.7
456.17480	1.1
469.18246	1.2
487.19553	80.2
488.19952	7.2
619.39514	0.8
691.38110	7.3
692.38519	2.1
723.40955	55.7
724.41315	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
58.00480	0.3
59.01254	4.7
70.74045	0.4
71.01259	3.0
73.02829	0.9
80.02550	0.9
81.03329	0.7
83.01232	0.5
83.04900	4.1
84.02050	0.7
85.02827	1.0
87.00745	0.9
89.02318	2.4
90.26347	0.3
95.04916	0.4
99.00809	0.2
101.02318	3.4
101.49806	0.2
113.02345	1.8
113.90522	0.3
119.03410	0.8
125.05972	0.4
127.07442	0.2
135.08072	0.5
145.04965	0.8
161.04504	1.1
163.11186	2.8
164.11575	0.3
165.12773	1.8
179.05615	0.5
181.12312	0.6
191.10629	0.6
199.13356	0.5
209.11777	81.1
210.12105	5.3
227.12846	10.7
227.15150	0.4
228.13171	0.6
233.22876	0.4
235.08185	4.7
235.10413	0.4
253.09270	9.2
254.09642	0.4
254.87770	0.2
275.20154	0.4
277.21722	100.0
278.22079	11.4
288.33249	0.2
316.01089	0.2
445.20752	0.4
463.22061	0.3
671.99622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06648	0.3
59.01253	3.3
59.96207	0.3
69.62661	0.2
70.82581	0.5
71.01260	2.3
72.36480	0.2
73.02817	0.6
80.02540	1.0
81.03340	1.0
83.01237	0.4
83.04896	3.9
84.02040	0.5
85.02822	0.6
89.02324	1.9
95.04915	0.4
95.21188	0.2
101.02325	2.3
113.02309	1.6
115.01927	0.3
119.03390	0.6
125.05963	0.7
125.09528	0.3
133.04997	0.3
135.08083	0.5
138.73137	0.3
147.11665	0.3
161.04442	1.2
163.11156	2.6
165.12752	2.0
179.05551	0.4
181.12204	0.8
191.10732	0.7
199.13324	0.8
209.11769	100.0
210.12114	6.4
225.11296	0.6
226.11655	0.3
227.12843	16.9
228.13200	1.3
235.08214	2.0
253.09264	7.6
254.09607	0.4
259.20697	0.3
277.21719	56.0
278.22067	6.8
280.18115	0.3
323.18848	0.3
445.20810	0.8
463.21896	0.4
566.95911	0.3
615.63788	0.2
640.39423	0.3
640.51855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
58.00492	0.3
59.01250	4.9
63.36986	0.2
69.03342	0.3
69.86367	0.2
71.01255	3.6
71.58930	0.2
73.02828	1.0
76.12595	0.2
78.21444	0.2
80.02541	0.8
81.03337	0.7
83.01259	0.6
83.04902	4.1
84.02054	0.3
85.02819	1.1
87.00746	0.7
89.02327	2.1
95.01260	0.3
95.04900	0.5
95.11078	0.2
101.02329	3.9
109.06467	0.4
113.02343	1.7
119.03355	0.7
125.05964	0.5
127.07523	0.3
133.04953	0.3
135.08070	0.5
143.03368	0.3
145.04929	0.9
147.11702	0.3
155.77417	0.3
161.04439	1.4
163.11200	3.4
165.12764	1.8
165.70584	0.3
181.12219	0.6
191.10687	0.8
209.11771	83.8
210.12106	5.4
214.49953	0.3
227.12846	10.2
228.13103	0.5
233.22871	0.3
235.08208	4.4
236.08600	0.3
253.09268	9.0
254.09866	0.5
259.20706	0.4
275.20090	0.4
277.21713	100.0
278.22061	10.5
504.43253	0.3
513.30316	0.3
748.40106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
55.20992	0.2
59.01255	4.0
69.39995	0.9
69.40401	0.5
71.01254	3.3
72.99183	0.3
73.02824	0.9
79.34277	0.2
80.02533	1.2
81.03342	0.9
83.01254	0.6
83.04899	4.4
84.02047	0.7
85.02814	0.9
87.00763	0.7
89.02318	1.9
95.01276	0.2
95.04900	0.7
98.20580	0.4
101.02323	2.7
109.06437	0.2
113.02322	1.4
119.03402	0.5
125.05970	0.4
135.08066	0.5
145.04915	0.4
161.04495	1.5
163.11189	3.5
164.11490	0.4
165.12762	2.3
179.05519	0.3
179.94092	0.2
181.12230	0.5
191.10712	0.8
199.13235	0.3
209.11769	100.0
210.12114	7.3
227.12840	11.1
227.15167	0.4
228.13245	0.5
235.08215	4.3
236.08609	0.2
253.09258	8.8
254.09671	0.5
259.20541	0.3
275.20145	0.4
277.21716	83.5
278.22064	9.2
299.25204	0.2
445.20868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1943
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
54.29628	0.5
59.01254	1.6
63.02270	1.2
65.00185	0.6
69.73048	1.9
83.01260	1.0
85.02784	0.7
88.30600	0.5
93.03327	1.2
96.95908	0.9
98.20515	1.1
101.02343	0.7
101.31046	0.5
104.79850	0.5
107.01263	2.5
118.97116	0.5
127.47704	0.4
132.02101	1.1
135.00752	1.3
143.29797	0.5
151.00310	4.2
154.04202	0.5
163.00264	1.4
164.01172	0.6
169.01437	0.9
170.32417	0.5
178.99788	1.5
181.02153	0.5
183.04497	1.3
185.06085	0.7
187.03903	0.6
191.05519	2.7
199.03883	0.7
200.04724	0.5
211.03951	2.3
213.05400	0.5
227.03465	43.3
228.03813	2.7
229.04935	3.0
230.83595	0.4
239.03505	1.5
241.05075	0.8
255.02986	72.9
256.03519	10.2
257.04639	3.2
283.02533	3.1
284.03284	100.0
285.03937	29.1
286.04349	1.5
326.11911	0.6
329.13928	0.7
491.19150	2.3
503.19376	1.7
533.20221	1.6
535.44977	0.5
545.20251	1.2
575.13428	0.9
593.15662	0.6
725.19373	64.6
726.19666	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	725.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05883	0.5
59.01248	0.8
62.71236	0.5
71.01266	0.8
71.54381	0.7
81.39249	0.5
85.02827	6.7
86.90820	0.5
87.00761	2.0
93.03339	6.2
96.95331	0.6
96.95882	2.9
98.95470	1.0
101.45129	0.5
108.02068	1.2
109.02848	0.9
111.04369	1.0
119.04946	0.8
125.02296	0.8
127.03918	2.1
133.02861	1.5
135.04445	1.0
145.02849	0.6
151.03917	2.6
163.03938	1.5
171.02983	0.5
173.04434	2.8
177.01816	0.9
180.08519	0.5
191.05550	100.0
192.05869	4.9
193.05984	1.0
195.02977	0.6
225.80434	0.5
232.51343	0.5
278.04758	0.5
303.04138	0.5
329.14194	1.0
337.09314	19.9
338.09570	2.8
353.08691	0.6
387.09186	0.9
669.59161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23898	8.2
59.01258	15.9
61.98719	65.4
66.38769	7.1
69.82057	22.8
78.95762	9.3
98.20467	9.8
115.81435	7.5
130.34236	7.1
193.23630	7.9
209.11790	82.5
211.13362	100.0
227.12805	20.4
235.08147	8.4
253.09277	10.4
272.51706	8.6
350.04193	9.7
445.20853	9.3
447.22562	10.4
461.05624	7.4
553.99841	8.3
639.34210	11.7
725.35297	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55358	0.3
57.03331	0.8
58.00473	0.4
58.59203	0.4
59.01253	14.2
61.98709	1.1
64.76409	0.4
65.20464	0.4
68.98596	0.4
69.03333	2.5
69.87783	1.1
69.88200	0.8
71.01253	4.7
71.04896	0.9
72.99166	0.3
73.02833	1.1
74.77306	0.4
77.76443	0.3
81.59776	0.4
83.01300	0.4
83.04900	0.7
85.02834	1.4
87.00763	0.4
89.02312	4.0
89.55744	0.3
95.04924	0.7
97.02840	0.5
97.06490	0.5
98.19827	0.5
101.02328	3.4
109.06489	1.1
111.08031	3.3
113.02352	2.1
113.17295	0.4
119.03403	0.9
125.02353	0.4
125.09680	0.5
134.25172	0.4
135.11707	0.4
141.09190	0.4
143.03403	0.4
144.03581	0.4
149.09610	0.8
151.11163	0.5
153.09137	0.7
153.12724	1.2
158.72281	0.4
161.04410	2.0
161.13185	0.4
162.93617	0.4
167.10713	3.6
169.12250	4.8
170.12596	0.6
171.34853	0.3
177.12814	0.7
179.05486	1.1
179.10707	1.4
179.14349	3.1
181.12288	0.7
195.13847	9.5
196.14247	0.4
197.11768	84.0
198.12128	3.8
199.13354	1.6
201.43904	0.4
205.12285	9.6
209.11740	0.9
211.13303	2.4
218.39178	0.4
223.13353	100.0
224.13696	6.3
235.08205	5.5
249.14957	0.4
253.09273	12.7
254.09668	0.7
263.20215	0.8
265.18246	0.5
273.18552	0.5
291.19672	6.2
292.20053	0.4
293.21277	0.4
309.20712	20.4
310.21124	2.5
319.26358	0.4
360.30109	0.4
411.25546	0.7
429.26431	0.7
433.20645	3.1
441.21231	2.2
459.22394	14.3
460.22327	1.9
548.07532	0.4
621.33008	0.5
647.34546	1.9
665.35382	1.8
666.36139	0.4
692.00269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.3
61.98693	1.1
69.03307	1.1
71.01252	3.4
71.54385	0.5
73.02821	0.8
83.04917	0.6
85.02819	1.0
87.00754	0.8
89.02332	2.3
101.02322	3.3
111.08027	3.7
113.02315	1.3
114.90838	0.4
119.03365	0.9
145.04932	0.7
150.05920	0.4
151.11186	0.9
153.09033	0.7
153.12769	1.4
161.04486	1.7
163.94052	0.4
167.10666	1.3
169.12256	7.5
169.13637	0.7
171.10182	0.4
179.05527	0.5
179.14346	1.1
181.12195	0.6
195.13852	2.1
197.11768	100.0
198.12086	4.6
199.13297	1.4
205.12282	2.7
211.13370	3.1
213.11176	0.6
214.38234	0.4
223.13351	21.7
224.13715	1.2
227.12898	0.6
235.08168	5.1
253.09274	10.6
263.20135	1.6
291.19656	7.7
292.19928	1.1
293.21365	0.5
309.20697	24.4
310.21039	2.0
409.64124	0.4
433.20862	3.5
459.22223	3.3
545.29803	0.6
665.34827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77850	1.1
57.03312	3.3
59.01255	7.1
71.01254	7.3
73.02800	1.7
75.00748	2.2
77.62769	1.2
78.95757	1.9
83.04884	1.7
85.02802	1.5
87.89143	1.5
89.02303	3.9
97.06461	1.6
98.19813	3.4
100.76868	1.1
101.02321	5.5
109.87129	1.1
113.02325	1.8
121.02843	2.3
125.09567	3.8
128.92763	1.4
139.11130	1.5
141.12714	1.5
148.47504	1.1
152.99460	3.3
163.11130	2.4
165.12582	1.3
167.10681	3.2
171.10150	3.9
185.11751	100.0
186.12054	5.3
199.13348	1.4
201.11165	2.0
208.02771	1.5
209.09912	1.7
209.11780	34.0
210.12091	10.2
211.13463	2.1
225.11208	1.7
227.12880	11.0
228.13185	8.0
229.10851	1.6
229.13222	2.2
235.08203	2.4
253.09290	7.9
277.21716	46.8
278.22028	16.7
279.23224	13.0
280.23477	2.0
295.22797	1.4
453.15527	1.7
465.19617	2.1
632.46289	1.3
707.37427	3.2
725.41113	79.8
726.41632	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18744	0.9
59.01251	34.6
61.98690	1.1
71.01263	3.1
77.41764	0.8
85.02775	1.3
87.00736	1.5
89.02328	2.4
89.13949	0.9
97.06452	1.2
98.20082	1.2
101.02328	1.8
113.02296	2.2
125.09604	1.2
133.89952	0.9
151.11205	3.2
161.04372	1.0
169.12262	25.9
170.12543	1.5
171.10185	56.9
172.10489	1.7
200.13637	0.9
213.11174	1.1
231.12250	1.1
235.08173	2.2
253.09219	3.7
277.21716	66.5
278.21997	7.6
279.23080	1.8
280.23438	1.1
298.43771	1.0
332.96463	1.0
392.03839	1.0
420.94193	1.0
596.26660	1.1
686.12933	1.0
709.41534	4.4
710.42151	1.4
727.42725	100.0
728.43231	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23174	0.9
56.38615	1.0
59.01259	37.4
61.98699	3.2
69.25157	7.4
71.01261	3.9
73.02791	1.2
78.95763	1.8
89.02338	2.3
101.02313	2.8
125.09647	1.5
127.11198	1.2
130.38123	0.8
130.50102	0.9
151.11131	2.9
169.12285	29.5
170.12659	1.6
171.10207	92.7
172.10538	4.3
199.13069	1.1
201.11253	1.3
204.71541	0.9
209.11859	1.4
213.11229	4.5
231.12384	3.1
235.08243	1.6
241.14449	2.6
242.14705	1.8
253.09172	4.9
277.21756	33.7
278.22083	5.8
279.22418	1.5
348.97156	1.0
361.07486	1.0
407.18835	1.4
449.20425	2.7
467.21158	4.3
484.16721	1.2
538.55298	1.0
709.41901	4.6
727.42810	100.0
728.43213	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80402	0.3
57.53825	0.4
59.01259	24.0
70.10478	1.3
71.01263	2.3
73.02822	0.5
85.02834	1.0
85.49745	0.4
87.00771	0.5
89.02330	2.0
98.20551	0.4
98.46896	0.4
101.02311	2.3
113.02338	1.1
119.03372	0.5
125.09619	0.8
127.07543	0.3
127.11191	1.6
143.03444	0.6
145.04990	0.6
153.09132	0.5
161.04517	0.9
171.10202	84.4
172.10521	3.7
178.72539	0.3
182.46480	0.3
190.11055	0.5
209.11804	0.8
210.12131	0.5
211.12309	0.5
235.08296	3.0
253.09280	7.7
254.09636	0.4
277.21747	100.0
278.22083	10.9
278.25006	0.8
279.23318	1.2
280.23651	1.0
281.24240	0.7
346.92987	0.3
407.18814	0.5
513.30676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	15.5
69.26065	0.3
70.74151	0.7
71.01259	1.1
73.02821	0.3
80.02679	0.3
85.02837	0.4
89.02335	0.7
101.02338	1.3
102.93763	0.3
104.47680	0.3
113.02369	0.8
119.03367	0.4
125.09595	0.5
127.11179	1.5
153.09094	0.4
161.04523	0.4
171.10202	100.0
172.10527	5.0
188.40463	0.3
209.11864	0.5
235.08241	1.7
238.65160	0.3
253.09279	6.0
254.09677	0.5
277.21750	52.0
278.22104	5.8
279.23447	0.5
394.08401	0.3
407.19211	2.2
408.19601	0.3
419.74677	0.3
430.29584	0.3
432.24298	0.4
513.30817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25709	0.2
59.01255	0.3
61.98704	100.0
70.76191	0.2
71.20906	0.5
75.00759	0.6
85.40464	0.2
197.11790	1.2
198.12120	0.6
209.11786	0.3
211.13440	0.2
223.13388	0.7
224.13747	0.7
225.13966	0.5
228.28688	0.2
234.42253	0.2
248.07985	0.4
310.21185	0.3
311.21082	0.2
460.75543	0.2
547.85266	0.2
587.44177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94638	1.6
59.01254	9.3
60.99148	1.4
61.98700	4.1
62.00545	1.6
69.03365	1.4
71.01263	5.9
80.02573	1.7
81.03308	2.4
83.04897	5.9
83.86098	1.7
89.02327	3.3
101.02341	3.6
113.02314	3.3
125.09641	2.9
127.11141	2.3
134.24861	1.4
163.11189	4.2
165.12692	1.8
167.10716	4.1
171.10173	3.3
181.12338	1.8
195.13867	8.4
197.11772	12.8
201.11269	50.7
205.12297	9.3
209.11780	87.6
210.12157	4.3
211.13358	3.8
223.13364	100.0
224.13707	6.1
227.12880	17.4
235.08247	3.9
253.09254	21.6
278.76364	1.9
291.19699	3.1
309.20715	21.4
459.22263	14.7
488.26590	2.2
492.63419	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67852	0.2
59.01257	0.4
59.23965	0.1
61.98705	100.0
62.98401	0.2
66.63269	0.2
68.88772	0.1
70.04539	0.7
70.79465	0.2
71.01273	0.3
80.96410	0.7
90.66457	0.2
98.82547	0.2
122.20537	0.2
132.77110	0.2
171.10210	1.3
172.10556	0.6
173.10738	0.3
201.81595	0.2
225.00746	0.3
277.21799	0.7
278.22125	1.0
279.22470	0.7
280.22839	0.2
378.92874	0.2
731.36438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
61.98703	100.0
66.87892	0.1
70.04689	0.3
80.96413	0.5
83.12344	0.1
94.97977	0.1
151.05925	0.1
164.98647	0.1
171.10176	1.5
172.10529	0.6
173.10779	0.2
175.33435	0.1
187.24605	0.1
225.00874	0.3
255.23376	0.1
277.21762	0.6
278.22186	0.5
279.22760	0.2
281.24838	0.2
431.84253	0.1
731.36542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.2
61.98703	53.3
69.77781	20.2
71.01280	5.1
72.99194	4.2
75.00754	9.7
83.04936	4.0
88.98681	6.7
91.62277	4.4
97.94897	3.9
99.00764	6.3
113.02359	4.3
125.09570	5.1
137.05930	4.2
152.17479	3.9
160.42342	3.8
163.11285	7.0
171.10201	12.5
181.12332	11.7
190.61653	4.1
191.05595	4.4
197.11725	5.0
207.10268	33.8
209.11769	100.0
210.12000	5.0
225.11267	70.6
227.12849	17.6
243.12129	6.8
246.74210	4.2
271.09818	6.1
330.01837	4.1
449.98679	4.7
461.20300	22.0
653.31750	15.0
671.32855	12.2
672.33276	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	732.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10986	0.1
61.98706	100.0
62.98408	0.2
71.01253	0.1
72.99143	0.1
75.00755	0.8
79.18223	0.1
98.19754	0.2
135.90416	0.1
171.10231	0.3
182.22464	0.1
209.11797	0.6
210.12103	0.2
211.13364	0.2
227.12906	0.1
229.35164	0.1
253.09387	0.1
402.22427	0.1
448.54474	0.1
612.43530	0.1
708.09332	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	12.3
61.98690	16.3
71.01255	4.2
71.09381	7.2
74.62132	3.7
86.27335	2.9
88.33025	3.6
89.02303	6.1
89.89689	3.5
93.03331	10.0
96.95891	4.7
101.02354	3.1
108.02045	12.7
109.02837	7.0
121.02851	30.5
122.03623	16.8
123.04379	11.0
133.02850	8.4
134.03625	13.1
135.04436	22.6
136.01582	6.7
136.05194	4.0
145.02858	10.7
146.03627	6.2
147.04396	10.4
149.02365	37.9
149.05978	15.9
150.03140	100.0
151.03912	6.6
159.04430	5.9
161.02330	4.9
161.06009	7.7
162.03105	8.3
163.03947	41.2
164.04710	44.5
165.05492	88.1
166.05885	3.2
175.03947	5.7
176.04681	8.6
177.05511	18.3
178.06213	6.5
179.07025	10.8
180.04163	5.4
191.03415	4.8
192.04214	18.3
195.06546	27.3
196.03691	5.8
203.50235	3.5
205.04871	4.8
206.05783	4.0
207.06541	56.8
209.11794	10.8
210.05215	6.3
219.06584	10.1
220.07430	10.7
225.05382	3.8
235.03572	3.2
237.05600	5.2
237.07561	16.3
239.03450	4.4
239.07164	3.5
240.04272	27.4
249.05542	4.7
253.05130	4.0
255.06577	13.9
255.10031	4.0
263.06985	5.5
265.05063	9.4
266.05573	5.7
267.06607	24.6
269.08188	24.3
270.08780	5.6
277.08588	5.5
278.05649	4.8
279.06668	8.6
280.07382	7.4
281.08313	8.5
282.08786	5.4
283.06134	14.5
283.09711	14.9
292.07401	5.6
293.08163	13.2
294.08749	9.5
295.06216	43.8
295.09567	9.3
296.06781	6.4
297.07672	9.6
297.10843	4.7
298.08441	39.2
299.09216	24.5
300.09924	8.6
303.06876	4.3
305.08136	15.1
306.08807	9.1
307.09729	11.0
308.10388	13.7
309.07840	3.4
309.11258	10.8
310.08548	38.0
310.11923	4.6
311.09222	34.0
311.12537	5.8
312.09885	10.5
313.07364	3.0
313.10812	58.2
314.11615	36.2
315.12265	8.2
319.09845	4.1
320.10574	7.2
321.11209	13.7
323.09332	6.4
323.12900	11.9
325.06961	3.0
325.10751	77.7
326.11581	49.5
327.12378	4.8
329.13898	79.1
330.14124	5.3
335.12903	7.2
337.10809	14.2
340.09402	7.2
340.13214	5.8
341.13919	37.9
343.11963	43.5
355.11865	33.6
356.12048	6.9
373.12857	46.8
474.16394	4.2
477.19257	21.3
489.19299	13.0
505.18710	5.9
517.18335	12.8
519.20197	46.2
520.20471	6.7
530.76428	3.6
549.21234	10.4
573.21002	11.4
580.21143	6.8
592.21521	5.4
625.24536	37.8
626.24658	4.1
637.24670	26.3
638.24786	3.8
655.25616	39.2
656.25781	5.1
667.25555	77.5
668.25903	17.7
673.26495	42.0
674.26666	9.7
679.25366	11.4
685.26532	34.5
686.26801	6.4
697.26093	8.4
703.27429	24.2
704.28375	4.2
715.27612	33.1
716.27936	6.0
733.27521	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	733.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99696	1.3
61.98699	4.4
69.35583	5.4
69.36008	3.8
71.01281	1.8
93.03333	4.8
95.01263	1.8
105.28887	1.4
108.02087	4.0
109.02856	1.7
121.02849	13.0
122.03646	15.6
129.70560	1.5
133.02856	2.8
134.03674	5.2
135.04430	3.4
136.01559	2.3
145.02896	2.0
146.03610	2.1
147.04398	4.4
148.01639	1.3
149.02356	40.5
149.05936	7.2
150.03148	100.0
150.30704	1.3
151.03693	3.4
159.04399	2.7
161.05954	3.4
163.03947	3.2
164.04735	11.1
165.05499	95.1
166.06047	5.5
175.07709	1.4
176.04681	1.9
177.05542	5.3
179.07072	6.3
180.04256	8.0
180.07872	7.6
181.08427	1.7
191.07109	1.5
195.06578	51.7
195.10178	2.6
196.06952	1.8
207.06548	3.8
209.11789	2.6
211.07626	1.3
223.09760	10.2
226.08476	1.5
239.07086	1.6
240.04413	1.7
240.68607	1.4
253.05241	1.6
254.05710	2.6
265.05133	2.0
265.29324	1.6
266.05927	2.0
267.06680	4.5
268.07504	1.8
269.08160	3.3
281.08066	3.3
282.08987	2.3
283.06049	1.6
283.09607	1.9
293.08331	2.0
295.06195	2.5
298.08417	4.8
299.09174	2.7
305.08200	1.6
308.10547	2.5
310.08551	3.3
311.09174	2.7
313.10822	5.6
323.09665	1.8
325.10834	7.0
326.11307	2.0
327.12433	1.5
329.13986	5.0
341.14035	3.8
343.11874	8.0
373.12900	4.8
429.13220	2.0
441.13394	1.8
445.16647	1.7
459.14035	2.6
461.16022	2.3
462.16916	3.7
473.16104	2.9
474.16754	4.5
475.17490	3.4
477.19186	14.6
489.19345	17.9
490.19360	2.0
507.20264	10.6
515.17450	2.1
519.20264	22.4
520.20966	2.5
573.21283	2.2
595.19513	2.7
607.18982	2.3
610.22021	6.1
622.22290	2.3
625.24487	34.8
626.24884	4.7
637.24591	29.5
638.24512	4.6
649.24036	2.1
655.25525	24.1
656.25818	5.2
667.25507	31.6
668.26013	3.9
673.26508	5.5
679.25287	3.6
685.26654	43.1
686.27411	8.3
697.27094	3.7
702.90265	1.5
703.27643	12.4
715.27655	7.8
716.27924	2.0
733.28699	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	733.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.3
59.20286	1.6
61.98709	27.1
62.12419	1.4
71.01247	2.5
75.00747	2.2
80.69559	1.6
83.04890	3.2
88.98677	2.4
89.02354	1.5
96.95908	2.1
98.57315	1.6
103.95033	1.5
150.34055	1.6
159.67848	1.6
161.04474	2.4
163.11159	5.2
165.12761	1.8
171.10251	3.9
201.56912	1.7
209.11766	100.0
210.12090	6.1
227.12833	15.3
235.08061	2.8
253.09297	4.4
298.18927	1.8
412.11209	1.9
686.58173	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	733.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	44.0
61.98702	35.2
71.01257	79.8
72.99181	6.5
73.02757	4.2
78.95770	5.1
83.40579	3.9
88.98715	8.0
97.02838	5.0
101.02307	7.8
102.63638	3.9
106.68565	4.1
109.06496	22.3
113.02351	6.5
113.09600	3.9
116.01301	4.3
136.12952	3.7
140.01245	3.5
163.11180	11.8
171.10187	14.5
181.12309	5.1
183.13863	8.3
185.11690	5.6
199.13391	7.5
201.11235	6.8
207.10204	52.7
209.11809	44.7
211.13339	100.0
212.13666	5.4
225.11313	31.8
227.12901	19.2
235.08113	6.1
242.98967	4.5
253.09265	16.4
293.21350	12.2
294.21387	9.1
346.65936	3.7
401.23257	8.7
461.20099	16.1
593.34851	4.1
637.32416	8.9
638.33606	4.6
655.33240	15.4
733.40698	5.9
734.42200	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	733.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38110	1.6
57.84356	1.7
59.01257	3.2
61.98417	3.4
61.98707	41.7
71.01250	3.3
72.90372	1.6
75.00742	12.6
83.04900	7.1
83.28949	1.8
84.02043	2.4
89.02364	2.7
97.02805	1.9
115.94550	2.0
150.03169	2.1
163.11171	2.7
165.12685	3.7
171.10190	4.6
199.13324	2.7
209.11778	100.0
210.12106	7.2
211.13257	2.4
225.00581	1.8
227.12920	17.0
229.34724	1.9
247.13310	2.0
253.09354	5.6
269.07327	1.9
445.20660	4.0
701.33472	3.0
731.07709	2.0
733.28949	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	733.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.0
61.98704	2.7
64.42316	0.2
69.03307	0.3
71.01257	3.0
73.02828	0.3
83.04901	0.2
85.02816	0.6
87.00777	0.4
89.02307	1.0
89.55210	0.2
98.20609	0.4
101.02352	1.2
109.06472	0.6
113.02324	0.9
119.03398	0.3
119.40089	0.2
125.02318	0.3
145.04991	0.3
155.10699	0.3
161.04451	0.6
163.11142	0.3
165.12793	0.4
167.10712	0.3
167.14320	0.6
171.10222	0.4
179.05511	0.5
181.12151	0.2
183.13832	5.8
184.14259	0.5
190.75644	0.2
193.12280	1.8
194.12663	0.2
207.10237	1.1
209.11778	1.3
211.13342	100.0
212.13684	5.8
223.35321	0.2
225.11296	0.9
226.03181	0.3
227.12871	0.7
235.08249	1.2
238.26419	0.2
240.71783	0.2
253.09264	3.7
307.33902	0.2
380.07486	0.2
396.52548	0.3
429.21268	1.5
447.22336	9.1
448.22964	1.2
597.32825	0.3
623.34692	1.9
624.34583	0.3
637.31549	0.4
641.35327	1.6
642.36334	0.3
655.33295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70687	0.3
52.99977	0.2
54.81672	0.2
59.01257	0.4
60.27285	0.2
61.98705	100.0
63.05232	0.3
71.01277	0.4
75.00751	0.5
84.92667	0.2
96.95872	0.3
122.09571	0.2
171.10266	0.4
197.11806	0.9
198.11961	0.3
209.11766	3.1
210.12201	1.0
210.65002	0.3
211.13271	0.3
227.12927	0.7
273.17053	0.4
428.64975	0.3
580.39264	0.3
605.64276	0.3
734.37415	1.3
735.38025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53625	0.1
59.01237	0.2
61.98703	100.0
62.98397	0.2
71.02310	0.3
75.00764	0.1
77.75714	0.1
85.31916	0.1
96.95918	0.2
163.99782	0.1
197.11783	0.5
209.11780	1.0
210.12167	0.2
211.13391	0.2
227.12837	0.3
253.09232	0.2
435.57666	0.1
541.18958	0.2
603.24451	0.2
626.99103	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	735.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80890	1.7
59.01252	5.5
61.98705	100.0
69.03307	2.0
71.01271	6.2
71.53891	2.3
72.99197	1.9
75.00764	1.8
78.91772	1.5
78.95766	1.7
83.04911	5.0
84.02075	1.8
89.02324	2.6
96.95872	2.6
101.02334	5.7
111.00795	1.7
113.02312	3.2
116.92717	2.5
125.09623	1.6
129.01851	1.8
150.85690	2.2
161.04498	2.7
163.11200	4.4
165.12766	2.1
169.12349	2.1
171.10165	15.1
185.11719	1.9
191.10684	2.2
197.11768	77.9
198.12160	4.1
201.11263	5.3
207.10234	8.8
209.11768	95.6
210.12157	5.6
211.13295	4.4
225.11218	9.7
227.12856	12.7
235.08218	5.1
236.51328	1.6
239.12894	4.9
253.09172	11.1
273.17075	31.4
274.17584	2.2
402.43240	1.7
415.19824	1.7
433.20923	4.8
445.20602	3.6
496.32108	2.0
717.37457	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	735.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.9
61.98705	96.3
62.98385	2.6
68.68365	2.3
71.01250	4.8
75.00758	2.8
78.54008	2.4
78.95794	3.3
80.96371	3.7
81.03383	2.4
89.02342	4.0
90.07020	2.4
93.72321	2.4
96.95917	5.5
98.19959	11.4
101.02330	2.8
115.76221	2.1
159.47766	2.8
169.12286	5.0
189.38438	2.6
197.11771	96.3
198.12042	4.6
209.11772	100.0
210.12076	6.8
211.13316	4.5
227.12828	13.8
235.08167	2.6
253.09273	9.5
321.99115	2.2
329.22626	2.5
411.06906	2.3
433.20657	7.4
445.20844	4.0
625.31683	2.6
735.31677	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	735.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
59.01247	7.2
61.98705	11.6
67.23161	0.6
68.30852	0.5
69.03322	2.0
71.01243	4.1
71.86889	0.5
73.02818	0.8
78.95742	0.6
83.01271	0.8
85.02798	0.9
85.06451	0.6
87.00755	0.7
89.02301	2.9
89.77811	0.5
101.02328	3.2
113.02328	2.1
119.03380	0.8
135.11652	0.7
135.28156	0.6
161.04453	2.1
167.10666	3.5
177.12813	1.0
179.10608	1.5
179.14369	4.1
195.13834	16.5
196.14328	1.2
205.12300	8.7
206.12645	1.1
209.11795	1.1
223.13350	100.0
224.13728	6.8
228.13591	1.0
229.25061	0.8
235.08217	4.7
253.09261	16.7
275.20120	4.6
277.21771	0.7
293.21234	78.2
294.21524	8.2
304.94315	0.6
392.00903	0.7
459.22318	10.6
460.22925	1.3
499.34259	0.8
502.80539	0.6
513.34943	0.6
529.30420	0.9
735.42920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
61.98703	100.0
63.26184	0.3
65.80986	0.3
71.01265	1.4
71.54336	0.4
77.64108	0.3
78.95781	0.9
83.01270	0.6
89.02333	0.8
101.02328	1.1
109.06508	0.5
113.02322	0.4
125.02328	0.4
125.09626	0.3
127.26740	0.3
144.19530	0.3
161.04538	0.4
163.11226	0.5
181.32535	0.3
207.10266	0.7
209.11810	2.4
210.12102	0.6
211.13286	2.0
225.11269	3.8
227.12918	0.7
235.08176	0.5
253.09244	0.8
263.60419	0.3
277.21771	1.0
278.22232	0.9
289.18213	1.1
291.19742	1.1
293.21329	1.0
307.19257	0.5
397.13651	1.3
398.14050	1.1
415.14578	0.4
461.20493	1.1
719.39642	0.4
737.41089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20232	0.1
61.98704	100.0
62.98404	0.1
70.40538	0.1
70.40880	0.2
92.68430	0.1
96.87296	0.1
124.46803	0.1
209.11829	0.2
294.63773	0.1
404.30670	0.1
737.30634	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	736.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83022	0.2
59.01249	0.6
61.98705	100.0
62.98404	0.2
69.08944	0.2
70.74664	0.3
71.01271	0.5
78.95792	0.2
87.00780	0.2
89.02315	0.3
95.04934	0.2
101.02363	0.3
109.06503	0.3
123.31513	0.2
183.07442	0.2
207.10216	0.5
209.11833	1.0
210.12173	0.3
211.13359	1.6
225.11279	2.2
227.12891	0.4
237.28264	0.2
245.19144	0.2
253.09322	0.5
289.18213	0.8
291.19794	0.4
293.21207	0.7
461.20480	0.6
560.93768	0.2
625.12390	0.2
737.42163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86813	0.2
54.15874	0.1
59.01251	0.3
61.06378	0.1
61.98705	100.0
62.50454	0.1
62.98413	0.2
70.67225	0.1
70.67563	0.2
71.01240	0.2
78.95764	0.2
79.39475	0.1
83.04860	0.2
171.10344	0.2
197.11848	0.1
207.10197	0.3
209.11774	1.8
211.13348	1.5
212.13635	0.7
213.13794	0.3
214.14264	0.2
225.11310	0.5
226.11740	0.1
227.13043	0.2
253.09201	0.3
289.18259	0.2
291.19748	0.9
309.20587	0.3
736.39050	0.2
755.74939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50853	0.5
56.04939	0.5
59.01245	1.6
61.98708	29.7
63.96111	1.2
69.03333	0.9
69.37965	3.4
71.01261	8.6
72.99190	0.9
73.02840	2.2
78.98465	6.9
79.95615	15.7
80.96397	78.6
81.03336	1.3
83.01253	0.9
83.04906	1.3
85.02833	3.0
87.00740	3.3
94.97972	17.8
95.01279	0.9
96.95882	2.3
97.02845	2.5
98.65214	0.4
99.00806	0.7
101.02330	3.1
106.97981	4.2
112.49355	0.5
113.02341	0.8
122.97484	3.4
125.02341	4.5
127.03859	0.5
134.97485	5.9
136.99046	2.0
148.99062	7.0
152.98555	7.0
161.04523	0.5
163.11177	1.1
164.98564	14.4
165.12730	0.6
169.12315	0.6
171.10210	1.6
177.74730	0.5
188.98663	0.7
191.05545	0.6
197.11781	1.8
206.99641	3.5
209.11775	11.2
210.12164	0.9
215.12851	3.8
219.36308	0.5
225.00719	27.1
226.01054	1.6
227.12836	1.9
253.09126	0.7
265.17255	0.5
283.04819	0.9
340.11905	0.5
341.05042	0.6
509.16980	4.7
663.33563	0.8
705.32684	0.6
737.30615	100.0
738.30896	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	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49186	1.0
59.01249	2.8
60.34975	0.9
61.98705	100.0
69.44631	1.4
69.45049	4.7
71.01251	2.5
75.16269	0.8
78.95765	1.8
80.96410	3.1
81.03345	1.7
83.04895	4.3
89.02326	1.3
94.97977	1.0
96.95905	2.4
97.02843	0.8
98.19824	1.9
101.02328	1.8
110.09216	0.8
125.05929	0.8
145.55626	0.8
161.04402	1.1
163.11209	3.2
171.10129	1.6
173.25522	0.8
191.10728	1.3
197.11745	1.2
203.80972	0.9
209.11772	92.1
210.12109	4.8
227.12846	13.6
235.08267	2.0
253.09212	3.8
273.17075	2.0
298.48590	0.8
391.22208	0.9
445.20612	3.1
737.30371	4.7
738.30835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03329	0.8
57.12035	0.3
59.01255	6.6
63.32619	0.3
69.03338	3.1
71.01257	6.3
71.04906	2.4
72.99177	0.4
73.02831	1.0
76.38167	0.3
78.95755	0.5
81.03352	0.3
83.01261	0.8
83.04909	0.5
85.02813	1.1
87.00796	0.5
88.17518	0.3
89.02316	2.5
95.01261	0.6
97.02844	0.4
97.06481	0.8
99.00771	0.6
101.02323	4.0
111.04420	0.7
113.02353	2.0
119.03414	0.8
123.08051	1.2
125.09634	2.0
129.70015	0.3
137.09631	0.5
149.09642	0.4
151.11195	2.0
153.12775	1.8
161.04471	0.9
161.09634	3.0
162.09941	0.5
169.12196	0.4
171.10217	0.8
177.09175	0.5
179.05444	0.5
179.10715	7.1
187.07642	0.4
195.10199	0.9
197.11783	82.0
198.12083	4.9
205.08676	3.4
223.09749	3.6
233.22630	0.4
235.08203	1.3
241.10782	5.7
253.09274	4.4
259.20712	0.4
275.20279	0.4
277.21744	34.4
278.22119	3.6
279.23160	0.4
459.18698	1.4
477.19809	2.9
478.20233	0.4
575.35956	0.3
719.40546	1.8
720.40778	0.5
724.17291	0.3
737.41235	100.0
738.41547	23.1
741.23071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03328	0.6
59.01255	5.2
69.03336	3.9
71.01263	4.7
71.04902	1.3
71.29567	0.5
71.87929	0.4
73.02818	0.6
80.65711	0.3
82.73957	0.3
85.02839	1.1
87.00761	0.9
87.05061	0.3
89.02323	2.1
95.01262	0.7
97.02738	0.5
97.06469	0.7
99.00761	0.4
101.02340	3.3
104.90132	0.4
111.04414	0.4
113.02325	1.3
113.35265	0.4
114.41187	0.3
119.03354	0.5
123.08096	1.2
125.09640	2.2
128.13995	0.4
138.52858	0.3
149.09642	0.7
151.11180	2.9
153.12776	0.9
160.57176	0.4
161.04504	0.8
161.09639	4.0
169.12195	0.8
169.31213	0.3
179.10715	8.8
180.11043	0.4
189.63382	0.4
197.11789	42.5
198.12120	2.2
223.09607	1.7
233.22485	0.4
235.08191	1.0
241.10823	1.8
253.09247	2.2
277.21750	53.7
278.22125	5.5
430.18832	0.3
448.10269	0.4
459.18716	0.9
477.19977	1.6
575.36096	0.6
737.41241	100.0
738.41571	23.7
738.55157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98406	0.2
79.95602	0.2
80.96395	0.9
82.03702	0.1
96.95887	0.3
98.20182	0.9
109.87794	0.1
124.79040	0.1
140.62303	0.1
151.92021	0.2
164.98517	0.2
186.86520	0.1
209.11931	0.3
210.12326	0.1
211.13445	0.2
225.00746	0.3
279.23166	0.2
293.21609	0.2
306.40173	0.2
738.31335	0.7
739.31610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21621	0.0
57.43845	0.1
58.54822	0.0
59.01253	0.2
61.98704	100.0
62.98413	0.2
63.99126	0.1
71.01254	0.2
71.54276	0.1
85.02837	0.1
89.02335	0.2
96.95895	0.1
101.02340	0.1
109.02881	0.1
113.02338	0.1
125.02359	0.3
128.07701	0.1
137.02374	0.1
167.03445	0.1
171.10228	0.1
177.01964	0.1
197.11884	0.1
199.13425	0.1
207.10234	0.1
209.11760	0.8
210.12201	0.1
211.13353	0.4
212.13766	0.1
224.56345	0.1
225.11324	0.1
227.12891	0.5
235.08139	0.1
253.09361	0.1
275.20340	0.1
277.21805	0.2
278.22137	0.2
279.22714	0.1
289.07239	0.1
289.18213	0.1
290.18817	0.1
291.19830	0.1
292.20047	0.1
293.21307	0.5
308.19357	0.1
309.20581	0.1
397.13535	0.1
398.13843	0.1
399.14111	0.2
400.14227	0.1
463.22092	0.1
508.55786	0.1
536.53076	0.1
729.52051	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	739.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
67.01756	1.6
71.01261	1.1
71.09132	1.1
72.99175	1.4
81.03347	0.7
85.02824	6.5
87.00754	6.1
93.03337	17.3
93.03918	1.2
93.68417	0.6
97.02802	0.6
104.85372	0.6
105.03337	0.8
109.02853	2.9
111.04389	3.3
115.92537	0.7
121.02857	5.1
123.04424	6.5
124.01525	0.8
125.02296	0.9
127.03976	1.5
129.01872	1.1
133.02846	2.0
135.04436	4.9
137.02332	2.5
139.03914	6.2
149.02347	6.7
151.03944	2.6
153.01808	1.7
155.03355	1.1
161.02303	1.2
171.02948	1.6
173.04485	13.9
177.01826	6.6
179.03407	3.4
191.05545	100.0
192.05922	4.5
193.01369	21.2
194.01828	1.2
195.02902	3.7
211.02423	1.9
215.05510	1.1
223.04485	3.5
247.04559	1.0
307.07901	0.9
337.03735	0.7
351.07281	2.7
353.08713	4.1
354.09348	0.9
367.06619	5.4
368.07230	2.4
369.08276	17.4
370.08594	1.4
385.07745	20.6
386.08173	1.8
529.10028	1.3
547.10822	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
58.00477	0.5
59.01256	4.6
64.46623	0.5
69.03365	0.5
70.30413	1.3
71.01258	5.3
73.02823	1.6
73.81039	0.5
76.30886	0.4
78.95762	0.5
80.02704	0.4
81.03379	0.5
83.04911	0.8
85.02834	1.6
87.00771	1.3
89.02319	2.2
95.01276	0.5
95.04917	1.3
97.02837	0.7
98.99725	0.6
101.02324	2.9
103.17567	0.4
106.76698	0.4
109.02878	0.5
109.06495	1.7
110.03616	0.8
111.04432	0.5
113.02355	1.8
125.09603	1.0
127.07604	0.5
127.11221	0.5
143.03439	0.5
145.04976	1.1
161.04478	1.4
161.09653	0.8
163.11200	2.4
171.10196	63.1
172.10558	2.5
179.05493	1.1
179.10735	0.7
181.12286	1.6
185.11859	0.5
189.09167	1.7
197.11784	1.6
199.13338	0.8
201.11246	3.2
207.10258	7.5
209.11778	1.5
211.13416	1.1
225.11305	24.9
226.11639	1.6
235.08176	6.1
235.10100	0.6
236.08636	0.6
243.12399	2.0
253.09285	9.2
254.09746	0.6
277.21747	100.0
278.22104	7.9
293.21396	0.7
328.13358	0.5
397.13742	0.6
407.19104	1.0
443.19302	2.8
461.20459	2.7
513.31238	0.6
721.41876	2.1
722.42261	0.8
739.42719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.2
70.30438	1.6
71.01266	7.2
72.99187	0.6
73.02822	1.4
78.62534	0.5
81.03365	0.9
83.04919	1.1
85.02827	1.2
87.00770	1.3
89.02329	3.6
95.01289	1.1
95.04921	2.2
97.02853	1.8
97.06500	0.6
98.19857	0.5
98.69274	0.6
101.02331	4.6
109.02870	0.5
109.06490	3.5
110.03650	0.6
110.61323	0.5
111.04435	0.6
113.02364	2.8
119.03440	0.9
125.09621	1.8
127.11194	1.7
143.03433	0.9
153.09158	1.0
161.04494	2.0
161.09691	0.7
163.11217	4.3
169.12335	0.7
171.10204	100.0
172.10526	4.5
179.05579	1.2
179.10736	1.2
181.12263	1.5
185.11786	1.5
189.09193	2.2
197.11876	1.3
199.13397	1.1
201.11310	5.4
207.10251	12.9
208.10594	1.1
209.11751	0.9
211.13338	2.7
212.13683	1.4
225.11302	49.6
225.39349	0.5
226.11679	3.0
227.12833	0.8
235.08209	3.3
243.12440	2.8
253.09305	9.7
277.21750	81.1
278.22131	9.4
279.22723	0.9
293.21317	1.9
309.20309	0.7
407.19342	2.6
443.19272	2.8
457.72229	0.6
460.70941	0.5
461.20328	9.2
462.20447	1.2
513.30707	0.7
721.42017	2.5
722.41327	0.7
739.42883	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	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
58.00455	0.3
59.01262	4.5
61.98710	5.9
66.43658	0.3
70.06305	1.2
71.01260	3.1
73.02834	0.4
80.02561	1.1
81.03338	0.9
83.04911	4.3
84.02061	0.8
85.02821	0.9
87.00790	0.6
89.02321	2.7
89.72540	0.4
92.00551	0.3
93.03343	0.4
95.01310	0.4
95.04912	0.8
96.95906	0.8
97.02784	0.4
97.06491	0.5
98.19847	0.4
101.02327	2.6
108.10040	0.4
109.06506	0.5
113.02331	1.7
119.03420	0.8
119.17014	0.3
125.05979	0.6
135.08090	0.5
161.04478	1.2
163.11229	3.6
165.12761	2.4
171.10211	1.2
179.05475	0.4
179.14256	0.5
181.12393	0.8
183.13837	0.7
191.10782	1.0
195.13846	4.5
196.14435	0.8
197.11734	1.0
199.13390	0.4
205.10512	0.4
205.12355	0.6
209.11792	100.0
210.12119	6.2
211.13367	6.9
212.13680	0.5
223.13394	3.9
224.14030	0.4
227.12868	10.7
228.13400	0.8
231.21188	0.6
235.08226	3.0
235.17079	0.7
253.09288	13.8
254.09654	0.6
256.13171	0.7
275.20181	6.8
276.20502	0.4
291.19675	1.2
293.21259	61.9
294.21594	6.1
309.20700	1.4
438.42139	0.4
445.20676	0.7
463.22232	0.4
632.91302	0.3
670.34882	0.5
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
52.12753	0.2
59.01258	3.4
61.98695	0.6
63.75851	0.2
65.94540	0.2
70.45047	0.6
71.01250	2.6
71.04870	0.3
72.99183	0.4
73.02827	0.7
80.02553	1.1
81.03330	1.1
83.04905	3.8
84.02064	0.7
85.02831	0.7
87.00758	0.3
89.02328	1.7
94.17538	0.3
95.04911	0.7
96.95953	0.3
98.19844	0.3
101.02339	2.5
109.06490	0.3
111.08004	0.3
113.02341	1.2
113.08097	0.2
119.03401	0.6
122.22677	0.2
125.02359	0.4
135.08084	0.6
161.04457	1.1
163.11223	3.4
165.12784	2.3
169.12259	0.8
171.10146	0.6
179.05533	0.4
179.14320	0.4
181.12303	0.6
183.13934	0.4
191.10751	0.9
195.13843	2.6
197.11790	0.7
205.12308	0.4
209.11792	100.0
210.12128	5.5
211.13298	3.5
223.13329	2.1
227.12866	10.6
228.13214	0.5
235.08182	2.8
235.16870	0.3
253.09299	11.4
254.09538	0.3
256.13110	0.4
265.21942	0.4
275.20193	3.7
276.20532	0.5
277.21796	0.3
284.56677	0.3
291.19681	0.6
293.21262	37.7
294.21558	2.8
309.20773	0.8
376.37360	0.3
445.20795	1.3
452.85965	0.3
485.32532	0.4
670.35663	0.3
739.42047	0.6
741.39807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
60.01630	0.1
61.91597	0.1
61.98705	100.0
62.98420	0.2
69.33224	0.5
69.80139	0.1
81.03320	0.1
83.04893	0.4
84.05245	0.2
93.03395	0.1
104.03370	0.1
191.05563	0.3
195.93681	0.1
207.27824	0.1
225.16048	0.3
226.16322	0.2
227.16611	0.1
400.57520	0.1
453.33920	0.2
677.49548	0.2
678.49976	0.5
679.50323	2.1
679.61682	0.1
680.50555	2.7
681.50958	0.2
740.28552	0.1
740.49304	1.3
740.61420	0.1
741.50275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89998	0.4
59.01255	4.7
61.98688	1.2
69.98676	0.4
71.01258	4.2
73.02821	0.6
75.00753	1.6
77.03829	2.8
80.02559	0.7
81.03315	0.7
83.01278	0.6
83.04904	3.2
84.02045	0.4
84.05240	0.7
85.02828	0.9
87.00773	0.6
89.02319	2.1
92.21016	0.4
93.03352	0.8
95.04925	0.8
96.95928	0.5
98.19816	0.9
101.02325	2.2
113.02331	1.5
121.02843	100.0
121.10156	0.4
122.03175	3.6
133.04991	0.4
161.04478	0.9
163.11160	1.7
164.11513	0.6
165.01845	74.8
165.12750	1.7
166.02217	2.4
166.13101	0.9
169.12311	0.6
171.10164	2.1
172.10510	0.6
179.05534	0.5
180.05830	1.0
181.06487	2.6
181.12323	0.4
191.03433	1.4
191.10634	0.5
195.13824	3.7
196.14226	1.9
197.11778	0.9
199.13310	0.6
209.11771	66.2
210.12106	28.5
211.12006	1.1
211.13301	2.7
212.13713	1.8
213.11281	0.5
223.13304	2.2
224.13667	0.9
225.05536	1.5
227.12839	9.0
228.13219	3.6
235.08151	1.7
236.08565	0.6
253.09270	10.7
254.09621	4.0
255.09981	0.5
256.13025	0.5
275.20117	3.9
276.20493	3.7
277.21573	0.9
291.19675	0.8
293.21213	32.1
294.21564	28.3
294.24130	0.3
295.21881	3.3
309.20563	0.9
310.20944	0.5
313.07181	1.8
357.06143	11.8
358.06479	0.8
549.10089	0.7
701.79681	0.7
741.14691	4.4
742.14716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1883
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
54.08545	0.7
60.91095	0.8
62.84534	0.7
65.00193	0.9
69.48952	4.7
88.49714	0.6
90.00822	0.6
107.01282	2.2
108.02054	1.0
143.85159	0.8
148.01599	0.8
151.00275	7.5
151.03813	0.8
151.68626	0.7
159.55359	0.7
178.99721	4.7
179.61414	0.7
191.05510	1.4
199.03923	0.7
226.02699	1.6
227.03433	2.7
243.02972	10.4
244.03506	1.0
251.43286	0.6
254.02180	2.2
255.02951	24.6
256.03412	1.8
271.02460	55.9
272.02866	6.5
299.01828	3.3
300.02731	100.0
301.03284	14.8
328.64737	0.7
741.18805	54.2
742.19220	10.2
753.65381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57937	1.6
61.98695	3.4
70.91779	3.8
82.76401	1.4
163.11255	2.0
165.12746	1.5
209.11787	100.0
210.12073	5.9
215.91539	1.5
227.12865	25.5
228.13011	1.8
234.34161	1.6
235.08388	3.7
253.09267	7.2
306.44360	1.6
311.96021	1.7
383.43396	1.7
445.20636	8.0
637.32538	2.1
741.34656	23.3
742.34930	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	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	2.2
59.01255	14.1
60.54495	1.9
61.98693	6.4
71.01254	6.6
71.54312	1.9
78.06622	2.0
78.95786	2.7
80.12946	2.1
81.44743	1.9
82.87601	2.0
89.02307	3.2
95.18785	2.4
96.95874	2.9
97.06451	6.5
100.30157	1.9
101.02304	5.9
105.44535	2.4
111.08078	2.7
113.02309	3.6
121.02809	3.8
144.85371	2.2
151.11206	19.4
152.99519	3.7
153.12700	2.4
161.04488	2.6
169.12259	77.9
170.12648	4.3
171.10112	3.5
185.11725	4.2
195.10252	4.3
195.13895	2.7
197.11754	24.3
199.13440	3.7
205.88846	2.3
209.11691	12.8
210.12093	2.7
211.13319	8.7
212.13667	3.5
213.11279	12.8
224.72366	2.3
227.12868	3.7
235.08078	2.3
253.09328	7.8
277.21790	6.1
291.19623	2.6
294.21466	2.4
295.22754	7.7
309.20660	13.1
391.32327	2.4
431.19095	4.6
449.19968	5.3
505.25851	5.6
741.40662	100.0
742.41028	24.7
770.77051	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	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17732	0.5
55.90030	0.5
59.01255	4.7
70.30111	1.4
71.01258	4.7
71.08332	0.5
73.02818	0.6
81.03339	0.8
83.01282	0.7
83.04900	3.2
85.02808	0.7
87.00754	1.0
89.02320	2.6
101.02329	2.5
113.02349	2.3
119.03372	0.6
125.05974	0.7
125.09657	1.4
127.11194	2.3
128.54695	0.5
143.03471	0.5
145.05055	0.6
155.10738	0.8
161.04474	1.5
163.11226	2.7
165.09174	0.8
165.12807	1.3
171.10249	2.8
172.10564	0.7
179.05545	0.8
181.12209	0.7
199.09616	0.7
201.11284	36.3
202.11618	2.0
209.11797	77.7
210.12148	3.8
221.12633	0.5
225.11220	1.3
225.22662	0.5
226.11536	0.9
227.12860	10.6
228.13052	0.8
235.08243	7.4
253.09290	13.3
253.22957	0.6
277.21744	100.0
278.22083	10.1
279.22263	0.9
402.96133	0.6
419.19083	0.7
437.20685	1.1
443.31644	1.0
445.20871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	25.7
61.98697	1.9
70.76559	1.2
78.95777	42.2
80.22904	0.7
96.96857	3.5
101.60826	0.7
116.97235	0.6
138.62300	0.6
141.01599	17.6
152.99493	43.7
171.00529	4.3
177.52124	0.6
184.75319	0.6
188.98515	2.7
223.01953	3.6
227.03268	5.0
232.97513	13.5
233.97827	1.4
245.04323	0.8
253.21716	27.8
254.22011	2.7
255.23232	4.0
259.20523	0.7
259.24716	0.6
275.20242	1.2
277.21729	84.6
278.22159	7.2
279.23181	1.3
305.02286	2.0
314.97827	4.1
396.98282	2.3
413.20892	2.6
465.09457	0.7
483.27420	2.3
487.24701	1.1
505.25754	100.0
506.26022	12.4
741.47095	22.8
742.47571	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	743.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56298	1.1
65.77703	1.1
67.01746	2.8
71.01283	1.1
71.54246	1.8
77.78670	1.4
85.02834	4.7
87.00756	4.7
93.03350	17.0
101.02197	1.2
111.04370	1.3
119.04922	6.7
163.03911	5.1
170.48380	1.2
173.04488	4.3
191.05557	100.0
192.05891	4.1
211.95154	1.1
318.83774	1.2
337.09323	47.1
338.09555	4.3
338.59674	1.2
353.08853	1.6
364.65359	1.3
498.25281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05325	0.8
69.31957	1.0
69.32359	4.4
71.01246	1.2
85.02834	1.0
93.03341	5.0
95.01279	0.8
96.95856	0.9
98.19816	1.5
105.03423	0.6
108.02039	1.3
109.02825	1.6
121.02843	15.6
122.03643	15.2
123.00786	1.7
123.04385	1.3
124.01591	1.0
125.02320	0.9
132.02084	0.7
133.02852	2.8
134.03650	0.8
135.04422	8.6
136.01566	22.7
136.05298	0.7
137.02388	3.9
147.04451	1.5
149.02350	31.9
149.05962	0.9
150.03136	99.7
151.00278	4.5
151.03931	26.1
152.01047	1.2
152.04266	1.0
160.05244	1.3
161.02425	0.8
161.06004	1.3
162.03105	0.9
163.03947	2.9
164.04681	7.0
165.05486	100.0
166.02641	15.7
166.05788	5.7
167.03378	3.9
172.05225	1.4
175.03947	4.4
175.07574	1.1
176.04510	0.8
177.01865	1.3
177.05515	2.0
179.03496	0.9
180.04228	5.3
181.04980	21.4
182.05325	1.2
189.05489	3.8
190.06276	7.8
191.03503	0.9
195.06563	57.7
196.06990	3.2
205.04886	1.2
205.08630	1.9
207.06573	0.7
221.08054	0.8
266.05725	1.4
282.05136	1.4
288.46600	0.7
309.07654	1.0
314.07840	0.9
315.08694	1.5
326.11368	1.3
329.10333	4.3
340.13049	0.7
341.10074	0.8
342.11130	2.2
343.11411	0.8
355.11618	1.4
356.12421	2.7
357.09592	6.4
357.13358	8.5
358.10101	1.0
358.13940	1.5
372.12192	4.0
373.12677	2.1
385.12943	0.8
386.13602	2.0
387.14493	50.0
388.14688	5.2
401.99622	0.7
490.16046	1.3
505.18478	2.2
506.59518	0.8
520.16901	0.7
535.19727	61.0
536.20032	12.8
553.20667	1.1
565.20673	2.2
566.20007	1.1
583.21869	36.0
584.22168	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	745.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49807	0.5
59.00949	0.9
59.01250	14.9
61.64948	0.5
61.98693	1.9
69.03315	1.6
71.01263	2.6
78.95788	1.6
83.04892	1.1
87.00755	0.9
89.02313	2.0
93.99982	0.5
98.20526	1.7
101.02309	2.5
112.55621	0.5
113.02296	1.6
119.03406	0.9
124.27936	0.5
125.02330	1.9
137.02328	0.8
143.68742	0.6
149.09677	0.6
152.99493	1.1
161.04420	0.9
161.13217	0.7
167.03426	1.0
167.10687	2.1
179.05539	0.7
179.10782	0.8
179.14369	2.9
180.10852	0.5
183.13809	5.7
193.12245	1.8
195.13811	6.7
196.14142	0.9
205.12286	6.6
206.12602	0.9
211.13336	100.0
212.13658	7.1
222.54225	0.5
223.13342	68.4
224.13657	5.9
235.08177	3.5
248.37952	0.6
253.09261	6.0
253.21716	0.8
255.23354	0.7
279.23352	0.7
281.24823	2.0
305.06693	0.8
399.25409	1.4
417.26355	1.0
424.89044	0.5
429.21469	0.9
441.21289	1.8
447.22314	10.3
448.22675	1.5
459.22327	10.8
460.22577	1.3
484.02750	0.5
509.28894	2.7
609.32947	0.9
635.34515	3.8
636.34888	1.0
653.35492	4.0
654.35760	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	745.5037
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01254	3.4
61.98706	3.9
68.89370	1.0
71.54089	1.5
75.57215	0.9
78.95785	46.5
89.02343	3.2
96.96876	3.2
98.72377	1.0
112.52647	1.2
141.01601	1.7
152.99509	48.8
153.99841	1.4
171.00557	6.2
178.42216	1.1
227.03290	6.1
253.21736	30.2
254.22105	2.0
255.23273	24.8
256.23553	1.8
278.22052	1.1
279.23300	36.6
280.23679	7.9
281.24890	100.0
282.25168	8.4
303.11761	1.1
417.24170	3.0
507.27725	2.1
508.27603	4.5
509.28854	92.8
510.29199	10.4
745.50366	51.2
746.50464	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	746.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03306	0.9
71.21153	1.4
85.02828	9.4
87.00770	2.0
89.32898	1.0
89.98817	0.9
93.03321	6.8
99.97907	0.9
109.02883	1.9
111.04391	1.1
111.57827	1.1
124.95885	1.1
127.03917	2.5
132.60117	1.1
133.02856	1.9
135.04422	8.0
145.02876	3.0
147.04417	5.8
171.02962	1.4
173.02364	8.4
173.04576	2.6
174.05540	3.1
179.03462	2.2
191.05547	100.0
192.05916	4.4
200.03467	8.4
218.04500	8.0
230.06633	8.2
240.20114	1.0
314.95380	1.1
352.07773	1.3
353.08786	4.2
392.09903	24.7
480.10611	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	749.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.0
61.98701	9.6
65.25381	0.7
71.01257	0.9
72.99178	4.5
75.00748	100.0
76.01094	0.6
83.04893	1.8
86.86315	0.7
88.98695	1.3
89.02287	1.2
96.95931	0.8
101.02332	0.7
120.98390	0.7
141.77274	0.8
163.11270	0.9
165.12759	0.9
166.78690	0.8
171.10201	0.6
180.45731	0.7
197.11745	1.0
209.11784	64.1
210.12173	3.3
227.12825	11.4
235.08229	1.6
253.09331	3.2
445.21045	1.8
540.31879	0.8
679.32336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	2.6
63.30440	0.8
64.09973	0.9
71.01241	1.1
71.07726	1.0
71.08076	1.4
77.03831	0.9
81.03300	1.1
84.14984	0.8
85.02801	1.2
93.03334	6.5
95.01324	0.8
96.95888	2.7
108.02064	2.1
109.02848	3.4
117.03286	1.3
119.04929	1.4
121.02849	15.3
122.03643	15.7
123.00748	0.9
123.04449	4.4
124.01594	1.1
125.02329	1.1
132.02080	3.8
133.02867	10.8
134.03647	8.3
135.04431	4.4
135.72122	0.8
136.01517	4.1
137.02359	1.2
145.02872	5.9
146.03627	4.4
147.04420	8.9
149.02356	54.5
149.05984	11.0
150.03137	100.0
151.03889	7.6
158.03767	0.9
159.04390	3.0
160.05197	5.4
161.02345	2.7
161.06029	7.3
162.03180	4.8
163.03905	4.7
164.04706	11.7
165.05490	83.9
166.06226	11.8
173.05948	2.0
175.03857	1.0
175.07536	6.1
176.04677	1.3
177.05495	8.4
177.78818	0.8
178.06218	2.1
179.03450	1.9
179.07027	3.2
180.04193	6.1
181.04991	1.0
181.08621	4.5
191.05531	1.8
195.06564	35.4
195.10214	1.9
196.06989	1.9
209.06145	1.0
227.07103	1.6
252.62083	0.9
270.08969	1.1
280.07516	1.1
287.33725	0.9
297.11121	1.1
299.09247	1.2
313.10837	4.8
315.12405	2.1
325.10568	2.5
329.13934	11.9
330.14215	1.2
343.11813	1.5
417.37637	0.9
446.13452	1.0
447.18082	1.7
461.15924	1.6
475.17313	1.1
477.19226	18.7
478.19345	3.9
491.17215	1.4
493.19321	1.1
507.20245	23.8
508.20697	4.4
521.18201	8.8
522.18109	1.2
525.21307	5.8
537.21680	6.2
538.21356	1.3
555.22418	5.2
561.21228	5.5
562.22034	1.7
591.21960	1.8
592.22668	1.2
609.23438	3.0
625.24866	1.5
655.25482	25.5
656.25812	8.0
667.25543	4.6
673.26715	1.2
685.26508	16.4
686.26599	5.0
697.26324	4.1
703.27570	10.4
704.27820	2.9
715.27362	5.7
716.28076	2.2
733.28198	5.0
751.29907	5.7
752.29559	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	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01252	6.1
61.98700	1.7
69.03324	1.9
71.01254	5.6
71.04880	1.2
73.02814	1.2
83.04880	0.9
85.02844	1.1
87.00768	1.1
89.02323	3.2
93.03351	0.6
95.04933	0.5
97.06460	0.9
98.20171	4.2
101.02325	4.0
109.06467	1.2
111.08047	8.1
113.02304	2.7
117.32321	0.5
119.03372	0.8
124.89742	0.5
125.09570	0.6
143.03447	0.7
145.04967	0.8
149.09593	0.7
151.11226	1.2
153.09181	0.5
161.04442	2.0
163.11240	0.6
167.10693	3.2
169.12236	2.8
177.12820	1.0
179.05487	0.7
179.10669	1.4
179.14325	3.8
181.12306	0.8
195.13852	10.3
197.11771	39.3
198.12122	2.2
199.13344	2.1
205.12283	10.1
207.10175	1.4
209.11806	0.8
211.13359	5.6
221.11728	2.6
223.13351	100.0
224.13687	7.0
225.11223	0.9
227.12836	1.0
235.08255	5.1
239.12895	1.0
253.09268	19.4
254.09486	0.9
263.20273	2.5
265.18207	1.0
273.18570	0.5
291.19672	13.3
292.20020	1.4
293.21246	2.0
309.20715	50.0
310.21005	5.9
325.40488	0.5
395.43088	0.5
459.22375	10.7
460.22443	1.9
515.34271	0.8
527.28204	0.6
545.30060	1.3
751.42859	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
58.00468	0.7
59.01253	6.1
61.98713	0.7
69.03339	2.9
71.01253	4.6
71.04915	0.6
72.99200	0.5
73.02814	0.9
83.01269	0.4
83.04903	0.9
85.02837	1.2
87.00755	1.0
89.02319	3.1
93.03347	0.6
95.01264	0.6
95.04893	0.7
98.20609	0.6
99.00764	0.4
101.02326	3.6
109.06474	1.3
111.08037	7.7
113.02330	2.3
119.03400	1.2
125.09625	0.7
127.07572	0.5
135.11731	0.5
143.03476	0.4
145.04965	0.6
149.09575	0.6
151.11221	0.5
151.26378	0.3
153.09108	0.6
153.12772	0.7
161.04469	1.6
161.13271	0.5
167.10722	3.5
169.12238	3.0
170.12614	0.4
177.12772	0.8
179.05542	0.7
179.10724	1.6
179.14320	3.6
181.12270	0.8
183.13858	0.6
192.18680	0.4
193.12233	0.4
195.12057	0.5
195.13838	9.6
196.14290	0.6
197.11768	39.1
198.12177	2.2
199.13318	1.6
205.12270	10.4
206.12619	0.5
209.11818	0.5
211.13347	3.9
221.11769	0.4
223.13353	100.0
224.13676	5.9
227.12865	0.8
229.56964	0.6
235.08217	5.6
249.15039	0.4
253.09271	14.7
254.09511	0.6
263.20132	2.2
265.18030	1.1
273.18445	0.7
291.19650	11.1
292.20050	1.1
293.21451	0.5
309.20718	41.1
310.21051	4.6
433.20502	0.8
459.22354	9.9
460.22626	1.1
527.28687	0.6
545.29620	1.3
751.42834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.0
60.99176	1.8
67.01749	3.4
69.03325	1.2
71.01262	1.5
81.03323	0.9
83.04897	0.7
85.02831	3.5
87.00764	5.0
93.03346	24.3
93.54965	0.6
94.03693	1.1
109.02859	0.7
111.04425	4.4
127.03862	1.1
128.90701	0.5
129.01837	0.8
134.03662	6.6
135.03929	0.7
149.05960	0.8
173.04465	9.1
174.04982	1.0
175.03888	0.7
191.05551	100.0
191.24519	0.6
192.05893	4.1
193.04967	4.9
233.00481	0.6
367.10352	35.6
368.10715	4.4
436.06848	0.6
480.06323	0.6
742.43750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03321	0.8
57.74178	0.2
58.00474	0.4
59.01251	5.6
59.56663	0.2
60.74081	0.2
61.98703	2.2
67.01775	0.3
69.03339	0.5
71.01257	4.4
73.02818	0.7
79.04755	0.2
80.02532	1.6
81.03346	1.7
83.01263	1.5
83.04898	5.2
84.02043	0.7
85.02808	1.5
87.00741	0.9
89.02320	2.5
95.01259	0.5
95.04902	1.2
97.02861	1.4
97.06469	1.8
98.19761	0.6
99.00745	0.3
99.04449	0.2
101.02328	3.8
103.85893	0.2
106.04121	0.4
107.04893	0.4
109.06480	3.8
111.04391	0.3
111.08016	0.8
113.02323	2.0
115.03869	0.3
119.03393	0.6
119.08581	0.3
121.06475	0.7
123.04423	1.3
123.08068	0.9
125.02312	0.4
125.06001	0.7
125.09636	2.6
135.08034	1.3
137.09555	1.3
141.12747	0.4
145.04971	0.5
149.05952	0.3
161.04454	1.4
161.09598	0.7
162.10367	0.3
163.09810	0.4
163.11191	7.8
164.11612	0.4
165.12764	3.3
167.10677	0.4
169.12245	0.6
171.10143	1.9
177.12689	0.4
181.12260	1.7
185.11760	3.3
189.12769	0.4
191.10733	1.5
191.14351	2.7
197.11775	3.6
199.13438	0.7
207.10207	9.0
208.10571	0.5
209.11772	100.0
210.12117	6.9
210.13985	0.2
211.13332	2.3
217.15826	0.4
225.11259	4.9
226.11826	0.4
227.12845	12.7
228.13203	0.8
229.12202	0.4
235.08170	2.6
237.11334	1.8
238.11690	0.5
245.19087	5.9
246.19499	0.5
249.15012	0.6
253.09274	11.7
254.09547	0.6
263.20184	1.8
271.17062	0.7
289.18103	27.7
290.18491	3.0
291.19717	1.4
293.21219	0.4
298.19418	0.2
307.19159	24.9
308.19562	2.0
309.20694	4.2
310.21100	0.3
323.19028	0.3
327.19592	0.5
345.20706	0.5
347.22327	0.3
396.31232	0.3
401.23517	0.5
419.24417	0.6
443.19235	0.5
445.20886	0.9
446.20151	0.3
461.20389	1.0
463.21838	0.4
499.30594	0.7
517.31927	0.6
525.27191	0.4
543.28076	0.6
637.32361	1.4
639.28552	0.3
655.32776	0.5
685.44751	0.3
717.38873	0.5
735.39612	1.3
748.13019	0.3
753.40619	3.6
754.41199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03754	0.3
57.03324	1.6
58.00471	0.4
59.01250	5.2
61.98694	0.4
62.60712	0.3
69.03341	0.6
69.23798	2.5
70.81872	0.3
71.01250	6.5
72.99155	0.5
73.02817	1.0
75.37069	0.3
80.02555	1.4
81.03342	1.8
83.01260	1.1
83.04904	5.5
84.02054	0.6
85.02814	1.7
87.00761	0.7
89.02324	2.6
95.01218	0.5
95.04897	1.5
97.02830	0.8
97.06460	3.6
98.20165	1.7
101.02333	4.2
108.02013	0.4
108.96102	0.3
109.02863	0.4
109.06464	1.3
110.91049	0.4
111.00740	0.6
111.08075	1.8
113.02357	1.9
115.36949	0.3
119.03397	1.0
123.04400	0.6
123.08081	0.5
125.02365	0.9
125.05978	0.5
125.09608	1.3
127.11262	0.4
135.08043	0.6
137.09654	0.5
143.51575	0.4
145.04933	0.7
147.11734	0.4
149.09682	0.6
150.95526	0.3
151.07593	0.4
151.11189	3.1
153.09055	0.4
153.12755	0.7
155.10672	1.2
161.04469	1.4
161.09564	0.3
163.11205	5.1
165.12770	6.4
166.13060	0.4
167.10736	0.7
169.12251	0.9
171.10193	2.3
177.09009	0.4
177.12799	0.4
179.05600	0.7
179.10712	1.4
181.12270	4.1
182.12627	0.5
183.13815	1.4
185.11755	0.7
191.05582	0.5
191.10696	3.2
191.14336	1.4
197.11781	1.4
199.13336	1.7
203.14265	0.5
203.71858	0.3
205.12195	0.5
206.31381	0.3
207.10175	1.7
208.10646	0.4
209.11775	100.0
210.12088	6.4
211.13298	4.1
223.13518	0.4
225.11232	1.5
227.12843	22.5
228.13185	1.6
235.08255	2.6
235.20676	0.3
239.09161	0.5
244.75581	0.4
245.19075	4.9
246.19383	0.4
247.13354	1.0
247.16985	0.4
253.09296	8.4
254.09631	0.6
261.18686	0.4
263.20160	6.7
263.22952	0.4
264.20551	1.0
271.17068	0.7
278.60611	0.4
279.19702	0.7
289.18124	10.2
290.18439	1.3
291.19714	0.7
293.21057	0.5
307.19162	28.5
308.19449	2.8
309.20627	0.8
327.19815	0.5
359.22855	0.4
372.51828	0.3
396.57208	0.3
419.24768	0.4
445.20819	5.3
460.19882	0.5
463.21725	0.8
525.26892	1.0
543.28113	4.4
544.28638	0.7
637.32037	0.8
638.31964	0.4
655.33167	1.4
735.39868	0.8
753.41821	2.1
754.42133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
58.00464	0.5
59.01247	5.9
59.12080	0.4
61.98701	2.7
69.03333	0.5
70.40941	1.3
71.01254	5.5
71.04875	0.4
72.99200	0.4
73.02822	1.0
75.00740	0.9
80.02539	1.5
81.03322	1.9
83.01251	1.6
83.04900	6.2
83.19538	0.3
83.86364	0.3
84.02051	0.8
85.02821	1.4
87.00739	1.2
89.02321	2.9
93.03350	0.7
95.01252	0.7
95.04912	1.2
97.02820	1.5
97.06461	2.8
97.07542	0.4
99.00742	0.5
101.02328	4.6
106.04091	0.4
107.04948	0.5
109.06484	4.5
110.03611	0.6
111.08031	1.5
113.02346	2.4
119.03372	0.5
119.08612	0.4
121.06488	1.0
123.04420	1.4
123.08020	0.9
125.02332	0.6
125.05976	0.8
125.09600	2.7
135.08087	2.2
137.09621	1.3
139.11162	0.3
142.02615	0.4
145.04955	0.7
147.04419	0.4
149.09625	0.5
151.11200	1.4
155.10701	0.4
161.04462	1.4
161.09619	0.7
163.11205	9.3
164.11450	0.6
165.12756	4.4
167.10628	0.5
169.12271	0.9
171.10178	1.5
179.05444	0.4
179.10681	0.8
181.12262	2.5
183.13840	0.6
185.11746	3.0
189.09109	0.4
191.10773	2.1
191.14337	3.5
197.11761	5.7
199.13258	1.1
205.12274	0.4
207.10225	10.4
208.10579	1.2
209.11774	100.0
210.12088	6.7
211.13301	3.3
225.11241	5.7
226.11743	0.4
227.12839	13.1
227.17882	0.4
228.13139	0.9
235.08194	3.2
237.11298	1.4
245.19066	6.5
246.19505	0.7
247.13370	0.4
250.62621	0.4
253.09264	10.9
254.09598	0.5
263.20166	3.5
265.18134	0.4
271.17044	0.9
284.30426	0.4
289.18103	26.6
290.18414	2.7
291.19672	2.2
292.20526	0.4
307.19156	25.3
308.19519	2.9
309.20764	6.8
310.21036	0.8
324.46991	0.4
327.19696	0.5
401.23013	0.6
419.24448	0.4
443.19296	0.4
445.20398	1.6
446.20770	0.4
461.20343	1.3
499.30460	0.5
517.31616	0.5
543.28424	1.2
617.68549	0.4
617.80658	0.3
637.32520	0.8
704.38971	0.3
735.39441	0.9
753.40521	4.4
754.41144	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16964	0.3
57.68860	0.4
59.01254	20.0
61.17622	0.3
61.98706	8.1
66.61660	0.3
69.03336	0.4
69.81446	1.6
71.01247	3.0
73.02842	0.9
78.95768	0.4
80.79338	0.3
80.96384	0.8
83.04905	0.4
84.18723	0.4
85.02826	0.8
87.00770	0.6
88.58665	0.3
89.02332	1.3
98.10777	0.3
101.02314	2.2
113.02322	1.0
119.03400	0.7
127.07523	0.4
143.03453	0.4
145.04913	0.7
151.11133	0.5
153.09145	0.4
153.12784	1.2
161.04451	1.0
169.12265	4.7
179.10706	0.4
182.00493	0.4
195.10278	0.9
197.11775	88.6
198.12112	4.6
204.34601	0.4
209.11856	0.4
217.74057	0.4
235.08223	5.0
253.09259	8.7
254.09778	0.5
277.21729	100.0
278.22070	10.5
279.22534	0.5
415.19824	1.7
416.47147	0.4
433.20795	3.3
434.21127	0.4
513.30481	1.1
532.62561	0.4
693.42053	0.4
753.40247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84528	0.4
59.01242	1.4
61.98703	9.3
66.50881	0.3
70.09209	0.4
72.99185	3.4
75.00748	100.0
76.00286	0.6
76.01090	0.8
81.03333	1.3
83.04899	3.9
84.05183	0.3
96.95860	0.5
98.02380	0.5
125.07136	0.6
139.08698	0.4
185.29987	0.3
191.05515	1.2
197.39391	0.4
207.15004	0.4
224.17546	0.8
225.16083	2.8
333.22949	0.5
450.34702	0.6
451.32712	1.0
566.42975	0.4
675.48157	2.1
676.48669	0.7
677.49658	5.7
678.50189	1.2
692.47760	0.5
693.49121	21.0
694.49585	5.6
753.49695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65456	0.2
61.98705	100.0
62.58755	0.2
65.16677	0.2
71.54810	0.3
74.00787	0.2
74.64386	0.2
79.95603	0.2
80.96391	0.7
85.02850	0.2
93.03363	0.2
96.95913	0.8
179.10703	0.3
191.05588	0.5
209.11818	0.9
225.00687	0.3
248.99939	0.2
348.57709	0.2
438.72433	0.2
480.82169	0.2
496.45065	0.2
754.33472	0.6
755.31799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
57.03315	0.4
58.00477	0.4
59.01254	4.4
61.98708	0.3
62.27767	0.3
69.03319	0.3
70.29890	0.8
71.01254	3.6
73.02815	0.8
75.43336	0.2
80.02556	1.0
81.03334	1.1
83.01250	0.6
83.04904	4.7
84.02045	0.7
85.02815	0.6
87.00740	0.6
89.02337	2.3
95.04910	0.4
97.02828	0.4
97.06468	0.4
101.02330	3.8
109.06477	0.7
111.08059	5.5
113.02350	2.0
119.03391	0.6
125.05965	0.6
127.07581	0.4
135.07997	0.6
143.03397	0.5
145.04976	0.4
151.11198	0.4
153.12730	0.6
161.04503	2.2
163.11208	3.5
165.12772	2.5
169.12276	2.4
171.10164	0.4
179.05588	0.3
181.12292	1.2
183.13835	0.4
191.10661	0.9
197.11787	27.2
198.12129	1.9
199.13345	1.9
209.11789	100.0
210.12151	5.8
211.13367	5.3
212.13628	0.5
227.12868	12.4
228.13205	0.7
235.08194	2.8
253.09282	12.9
254.09669	0.6
263.20181	1.9
264.20520	0.4
265.18103	0.9
273.18613	0.6
291.19699	9.2
292.20013	0.6
293.21133	0.5
309.20734	33.9
310.21014	3.1
310.97424	0.3
440.00131	0.3
445.20651	0.4
545.30121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.5
58.00459	0.5
59.01249	4.3
61.98696	1.0
69.03309	0.5
71.01257	2.9
71.25193	0.3
73.02824	0.7
80.02547	0.9
81.03313	1.3
83.01258	0.7
83.04898	3.9
84.02056	0.3
85.02827	1.0
87.00765	0.6
89.02312	2.1
91.03876	0.3
93.03321	0.4
95.01281	0.3
95.04896	0.5
96.95876	0.3
97.02850	0.3
97.06480	0.3
101.02332	3.0
103.31699	0.3
109.06503	0.5
111.08041	5.1
111.09257	0.2
111.85796	0.3
112.08327	0.3
113.02328	1.9
119.03384	0.7
125.02309	0.3
125.05956	0.6
127.07542	0.4
135.08095	0.6
143.03316	0.4
151.11201	0.3
153.12781	0.6
161.04491	1.3
163.11201	3.6
165.12756	2.1
169.12276	1.8
171.10197	1.6
179.10706	0.5
181.12270	1.0
183.13791	0.6
191.10707	0.9
192.65654	0.3
195.09872	0.3
197.11769	28.7
198.12077	1.8
199.13341	2.0
207.10312	0.3
209.11771	100.0
210.12122	5.9
211.13338	5.8
212.13626	0.3
225.11240	0.5
227.12839	12.7
228.13170	1.0
235.08183	3.1
247.20639	0.3
253.09267	12.8
254.09642	0.4
263.20181	1.3
265.18033	0.9
273.18555	0.4
291.19684	11.0
292.20038	1.2
293.21234	1.2
309.20700	33.2
310.21091	3.1
325.20242	0.4
433.20831	0.3
445.20712	1.0
463.21689	0.3
501.32123	0.4
527.28198	0.5
545.29675	0.4
755.42017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.4
70.45015	1.3
70.45349	1.0
70.67681	0.6
71.01250	3.7
73.02821	1.2
77.49079	0.5
78.95768	1.1
80.02538	0.9
81.03319	0.9
83.04903	3.7
84.02024	0.6
85.02832	1.0
87.00769	0.8
89.02305	2.0
101.02327	2.7
113.02305	1.3
113.43533	0.5
118.29509	0.6
142.97617	0.5
150.13637	0.6
152.99513	0.7
161.04475	1.6
163.11200	3.2
165.12762	2.0
181.12288	0.7
183.10091	0.7
209.11780	78.1
210.12117	5.4
227.12863	10.9
228.13394	1.0
235.08215	5.6
253.09264	10.4
259.15482	9.1
277.21735	100.0
277.65256	0.5
278.22067	9.2
316.26663	0.5
445.20645	0.9
545.72406	0.6
678.46429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.8
61.54135	1.0
61.98694	1.5
70.96171	1.0
71.01257	3.5
71.53376	1.1
76.21779	1.1
87.00741	6.3
88.00295	1.6
89.02321	1.9
98.16506	1.1
101.02345	2.0
113.02318	1.3
127.11195	1.2
147.45035	1.3
163.11223	1.4
179.05424	1.2
181.12242	2.4
198.08405	1.0
199.13333	100.0
200.13620	6.9
207.10225	1.5
235.08209	4.2
253.09296	9.6
259.15509	7.5
277.21729	81.0
278.22012	10.2
353.09326	1.3
364.55307	1.1
459.34851	3.9
557.94946	1.3
751.67578	1.5
755.40619	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	756.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75982	0.2
59.01254	0.4
61.98705	100.0
69.82896	1.0
98.19851	0.3
197.11792	0.8
198.12135	0.5
277.21848	0.7
278.22226	0.7
279.22641	0.4
489.87839	0.2
507.48184	0.2
661.60443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46075	2.3
53.73650	2.5
58.30594	2.4
66.18151	2.2
66.23167	2.5
71.01234	3.2
71.54118	2.2
71.54592	2.7
72.27398	2.7
75.00737	5.8
83.01257	3.2
107.01283	5.5
109.99967	11.9
111.00771	3.2
119.31659	3.2
123.00776	5.3
137.02315	2.7
139.00278	8.6
151.00304	16.9
152.01035	4.1
161.02290	3.4
165.99010	11.2
166.99789	6.3
171.04434	3.2
174.03189	3.8
178.99768	17.3
187.04012	3.6
191.05580	14.9
199.03928	6.9
201.01984	3.6
203.03458	4.8
203.23732	2.7
214.02557	5.8
215.03378	6.2
227.03389	7.6
231.02982	3.5
241.01190	2.9
242.02069	7.0
243.02885	14.7
255.02940	10.1
259.02377	6.9
270.01630	8.9
271.02487	67.6
272.03177	15.2
273.03879	3.7
274.78708	2.9
287.02023	24.3
288.02725	11.1
299.01978	59.6
300.02554	9.9
315.01465	6.6
316.02234	89.7
317.02887	21.6
454.61209	2.7
713.19141	3.9
739.16675	4.1
757.18347	100.0
758.18561	23.4
782.34607	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99158	2.3
68.61115	2.5
72.99178	7.4
81.03323	2.6
85.02822	10.7
87.00757	6.6
89.71017	2.2
90.44342	2.2
93.03339	20.9
98.19754	4.5
109.02843	2.9
111.04458	2.7
121.02837	4.4
123.04393	5.1
135.04462	2.8
136.01634	2.6
137.02336	15.0
139.03897	3.9
145.50381	2.4
149.02351	5.9
151.03958	4.0
157.95932	2.6
167.03445	2.8
173.04498	18.1
177.01845	4.0
177.76367	2.3
191.05542	100.0
192.05887	7.5
193.01389	10.8
195.02986	4.0
247.04604	5.4
342.06064	2.3
344.16995	2.7
369.08160	6.8
387.09174	3.6
403.09070	3.2
638.00195	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	757.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41615	0.6
58.41554	0.5
67.14516	0.5
69.45477	4.4
72.48872	0.6
86.01018	0.6
94.92885	0.5
107.01287	1.6
124.01563	1.9
137.57668	0.5
151.00296	5.0
151.57530	0.6
163.00235	1.2
164.01094	2.2
175.03806	0.9
178.99794	7.2
192.00604	0.6
195.38330	0.6
204.04166	0.8
214.02654	6.1
215.03441	1.1
231.02780	0.8
242.02122	4.9
243.02979	3.9
259.02484	5.7
260.02786	0.9
270.01660	6.8
271.02472	35.0
272.02823	3.7
287.02014	23.1
288.02509	2.7
315.01584	3.2
316.02231	100.0
317.02783	17.9
318.03311	0.7
373.81747	0.7
429.13983	0.9
454.54449	0.7
757.18311	94.3
758.18591	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	757.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
64.14667	0.3
68.86917	0.3
71.34663	0.5
79.95609	7.6
81.37425	0.3
82.02858	0.7
83.10188	0.3
87.51681	0.3
94.02859	3.4
94.06522	0.8
96.95889	100.0
97.95788	0.3
120.08079	3.0
122.06010	4.0
123.49281	0.3
124.07545	0.3
134.06029	0.7
138.05501	1.5
152.07071	9.8
161.07147	0.4
174.05493	0.4
190.04968	0.8
191.05547	0.4
211.12303	0.3
223.08727	0.8
224.09279	0.4
225.10237	0.3
237.10313	1.6
238.11003	0.6
239.11804	1.6
246.31429	0.3
251.08336	0.4
251.11807	0.6
253.13419	0.4
253.51375	0.3
263.08182	0.5
264.08966	1.0
265.09668	1.1
267.11456	0.3
271.10770	0.5
272.27869	0.3
277.09769	0.5
278.10599	0.4
279.11395	3.6
280.11975	0.7
281.12808	0.3
286.88126	0.4
291.11453	1.0
292.12372	0.4
295.10876	0.7
323.10345	1.1
355.12756	0.6
376.16330	0.4
402.18155	1.3
435.69638	0.3
444.19171	1.0
445.19946	0.6
448.18784	2.2
449.19223	0.3
460.19009	0.4
461.19559	0.8
471.17960	0.5
488.18280	1.2
489.18903	1.6
521.49188	0.4
528.14459	2.4
529.14929	0.5
585.23346	0.5
601.17432	0.4
617.26233	0.7
627.24127	0.5
645.25507	1.8
677.28821	1.4
681.22418	0.6
697.22656	0.7
757.23950	46.9
758.24280	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	757.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.0
61.98709	75.4
71.01261	8.2
78.95780	27.5
89.02320	12.1
96.95903	79.2
96.96871	23.8
97.06425	6.4
98.95466	43.8
108.78854	6.9
119.21548	7.1
169.12225	7.3
171.10216	15.9
197.11755	19.6
209.11786	75.2
210.12131	20.8
211.13368	100.0
227.12833	23.9
235.08185	12.7
253.09215	20.8
291.19592	9.1
309.20752	12.8
310.20987	9.2
316.02402	12.4
327.21664	35.5
368.07956	7.1
397.68976	6.3
436.01660	6.2
443.07932	6.3
447.22424	10.6
465.27191	6.5
617.71826	8.2
649.91846	6.3
757.18243	10.9
757.39240	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	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98429	20.7
55.45536	17.5
59.01237	38.4
61.98703	31.3
67.27319	16.7
71.01217	26.3
71.53210	17.9
71.53563	21.6
73.11882	20.9
78.95780	58.2
79.07825	17.6
122.95116	20.0
125.84819	23.6
136.27164	19.2
178.04106	25.1
194.26854	22.9
199.13422	30.7
207.10402	28.1
227.12997	21.4
239.12837	25.5
243.09296	19.7
255.23282	47.9
277.21686	100.0
461.20697	25.9
571.28522	20.1
591.85889	21.3
757.40131	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00207	1.2
59.01255	10.3
64.52595	0.7
64.59610	0.7
69.44925	4.9
71.01255	100.0
72.01603	2.1
73.02825	1.4
78.95773	3.1
83.01257	1.0
85.02816	1.6
87.00732	1.0
89.02313	2.4
97.02850	1.0
99.00735	1.0
101.02332	3.1
109.06466	3.5
113.02345	2.2
123.58706	0.7
125.09627	2.0
127.11167	2.1
137.09625	0.9
145.04959	1.4
152.99559	0.9
157.38593	0.8
161.04414	2.0
163.11208	2.7
171.10184	72.1
172.10490	2.2
179.79021	0.8
181.08640	0.8
181.12297	1.2
197.11685	1.8
199.09695	7.4
199.13274	1.3
201.11273	12.4
207.10205	12.6
208.10550	1.0
215.12845	2.9
216.13281	1.5
225.11310	7.3
235.08223	5.2
243.12460	1.0
253.09265	11.0
253.87279	0.8
277.21725	95.7
278.19110	0.8
278.22131	12.2
279.22430	1.0
313.59500	0.7
349.29031	0.9
435.18509	0.9
443.18698	0.8
461.20276	2.2
556.47906	0.8
576.66711	0.8
721.41553	2.8
739.42859	1.2
757.43921	12.0
758.44122	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07948	2.0
59.01257	14.1
62.08515	1.9
71.01259	93.5
71.69885	2.4
78.95786	13.0
89.02335	3.8
92.61425	2.1
97.02884	2.2
99.00761	2.6
101.02324	5.4
109.06505	9.8
127.11191	3.4
140.57784	2.2
152.99509	5.7
155.10709	3.7
163.11307	4.6
171.10187	100.0
172.10568	4.3
181.12241	3.5
197.11745	3.6
199.09700	23.5
199.13388	4.5
200.45335	2.5
201.11261	23.4
207.10239	24.9
225.11235	20.0
235.08185	4.0
243.12396	2.8
253.09203	11.9
277.21725	73.1
278.22122	6.8
293.21268	2.5
435.18686	5.6
447.21426	3.5
461.20297	6.9
496.70306	2.2
553.83826	2.2
708.44794	3.3
739.43323	4.0
757.43518	20.5
758.43652	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	757.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46590	0.8
59.01250	9.9
59.62540	0.9
61.17092	0.8
67.91968	0.9
68.99696	1.0
69.39423	2.0
69.39825	6.5
71.01256	71.5
73.02831	1.5
78.95766	3.5
83.04890	1.2
85.02815	1.3
85.76414	0.8
87.00733	1.9
89.02336	3.1
99.00742	1.4
101.02322	3.6
109.06478	2.9
113.02338	2.0
119.82964	1.0
125.09591	1.3
127.36943	0.9
145.04924	1.1
147.83258	0.9
152.99486	1.4
161.04443	1.5
163.11172	3.0
169.12285	1.3
171.10181	39.9
172.10497	1.7
181.08641	1.2
181.12218	1.6
197.11720	2.1
199.09695	8.4
199.13382	1.5
201.11261	7.3
207.10214	11.5
208.10538	1.0
225.11272	9.8
228.68956	1.0
228.92789	1.0
235.08185	5.4
243.12532	1.0
253.09259	9.9
277.21725	100.0
278.22079	10.1
408.56351	1.0
451.14886	1.0
461.20193	1.4
721.41699	3.7
739.42609	1.4
757.43561	11.9
758.43610	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	759.177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53502	1.1
71.53866	1.0
83.52480	1.0
100.05697	1.0
107.01273	1.4
116.24432	1.2
119.04928	7.8
121.02879	2.3
149.04440	2.0
151.00273	7.4
163.00346	1.2
163.03918	12.5
169.01350	1.1
178.99799	3.3
227.03345	1.2
243.02971	6.3
245.04498	1.6
254.02068	1.1
255.02974	17.4
256.03418	1.5
265.66904	1.1
271.02481	38.2
272.03003	3.1
295.08282	3.2
300.02753	71.5
301.03436	29.8
302.03891	1.3
316.02579	1.3
463.08826	100.0
464.09125	10.9
488.54291	1.1
605.33997	1.0
611.72260	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	759.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33759	1.9
59.01245	2.3
68.99670	2.1
70.92083	1.9
70.92455	3.9
71.01243	4.6
73.02832	4.3
81.03333	8.8
83.01298	4.1
85.02789	1.9
93.03341	5.8
95.01292	2.4
95.04909	3.7
96.95876	2.1
97.02827	5.2
97.06451	2.2
99.04457	2.2
109.02845	3.2
111.04445	2.6
113.02355	2.1
119.04922	14.6
120.07447	2.0
121.02820	3.8
123.04427	17.3
124.40648	1.9
124.70202	1.9
125.02349	10.9
135.04465	3.9
137.02374	6.0
137.05986	5.8
139.03944	9.6
143.06992	8.9
147.04465	4.5
151.03944	3.1
155.10725	7.0
157.12891	2.4
161.06006	2.5
163.03952	4.5
165.01929	2.8
165.05473	8.1
167.03439	21.3
177.01842	2.8
177.05525	3.5
179.03397	10.7
181.05017	4.3
189.05493	3.0
191.03467	2.8
191.05547	8.0
193.04994	3.8
197.04541	4.3
207.02998	5.0
209.04491	23.4
209.06418	3.1
217.10757	13.1
221.04472	3.8
239.05530	11.0
269.06622	2.2
300.02432	2.2
315.08240	2.2
344.07254	2.0
379.16171	7.0
399.49792	2.8
435.12839	2.9
477.14182	15.1
489.14215	4.9
490.14670	2.3
507.14996	3.4
519.07269	5.0
519.15039	100.0
520.15540	12.8
531.15363	4.4
549.16144	76.1
550.16492	11.8
561.15747	3.3
579.17267	20.4
580.17041	2.9
580.93896	2.7
621.18555	10.1
621.26984	2.1
622.19061	2.5
639.19165	17.9
640.19647	4.8
651.19409	7.3
652.20654	2.2
669.20599	5.9
741.22253	3.0
759.24506	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	759.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
58.00462	4.4
59.01251	83.4
61.98701	2.9
66.13880	1.0
69.48799	6.2
70.48507	1.1
71.01254	71.2
72.99184	4.9
83.01254	2.3
85.02834	9.1
87.00745	3.5
89.02316	100.0
90.02679	1.4
95.01247	3.4
96.95891	4.6
101.02323	34.0
113.02332	31.1
119.03393	37.9
125.02316	1.7
131.03438	5.2
133.54475	1.0
135.04399	5.7
136.05208	6.1
143.03407	9.4
149.04483	4.0
149.05836	1.1
161.04521	9.1
165.09122	4.6
169.02856	1.1
179.05533	30.5
180.07819	18.1
181.08157	1.3
182.35751	1.1
195.10237	2.7
208.07324	4.9
211.46365	1.1
223.09688	21.1
237.05408	2.2
265.04932	1.6
267.06485	1.7
280.07425	1.3
289.05045	1.5
290.05695	1.2
345.22763	1.3
355.91165	1.1
413.10190	1.5
427.11606	1.9
428.12738	1.7
431.15005	1.7
442.14093	1.1
443.15009	2.1
444.12112	2.0
457.16101	1.6
458.17123	1.5
459.14493	14.0
460.14713	1.7
462.94159	1.0
471.14371	9.2
474.16867	15.3
475.17120	2.2
476.07278	1.6
486.16995	4.0
489.19189	20.2
490.19370	3.2
501.19202	8.1
511.32803	2.0
519.20221	32.4
520.20496	4.7
647.39417	1.2
715.38965	11.5
716.39264	1.6
759.31665	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	759.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
56.76298	0.3
57.03328	0.5
59.01252	7.5
61.98693	0.5
71.01253	5.5
73.02817	8.8
81.03339	0.9
83.01260	0.4
83.04916	0.6
85.02808	2.1
89.02321	4.2
95.01296	0.9
95.04928	1.7
96.95882	0.6
98.20570	0.5
101.02322	2.8
107.04924	1.0
107.08527	0.4
109.06470	2.0
113.02343	5.1
113.05965	0.6
119.03395	1.3
121.06493	1.1
122.03654	0.5
123.04413	0.5
125.02343	1.5
125.05992	0.8
135.08121	0.3
137.05988	0.7
141.01825	1.2
143.03401	0.6
145.10149	0.5
151.00330	0.4
161.04510	1.5
163.11209	10.3
164.11478	0.5
165.09116	5.8
179.05524	0.6
179.10687	0.7
180.11021	0.4
181.12267	53.9
182.12584	3.0
190.31992	0.3
195.13834	0.4
205.12305	1.0
207.10217	5.0
209.08131	17.1
210.08482	1.2
223.09669	0.6
224.06796	0.3
224.10129	0.4
225.11282	100.0
226.11600	7.3
226.13835	0.4
249.11288	3.1
267.12335	2.0
291.12454	0.5
294.73315	0.4
297.13287	0.4
303.07336	0.8
327.14413	1.3
351.14532	0.4
369.15469	0.6
371.13528	1.3
387.16647	19.3
388.17038	2.1
427.68066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59950	19.4
54.91491	17.0
58.50674	15.9
69.54965	20.4
71.54043	21.0
78.95772	34.0
80.96397	21.7
86.38637	21.1
124.52686	18.7
127.55878	17.2
207.34541	20.6
209.11743	54.1
227.12805	58.8
277.21808	100.0
295.23056	21.3
544.93732	19.5
759.40222	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.4
61.98704	9.1
67.53836	0.5
69.21452	3.5
69.21858	1.0
71.01255	2.0
79.95600	3.9
85.02859	0.8
88.83215	0.5
89.02322	1.1
90.15848	0.5
96.95891	100.0
101.02304	0.9
113.02337	1.0
135.04395	0.5
138.11841	0.4
138.96962	0.9
191.05560	1.7
209.11884	0.6
259.01334	3.6
290.56931	0.5
291.35110	0.5
309.24603	1.0
327.25446	1.0
339.25467	2.9
357.26550	3.7
373.25919	0.6
437.22394	1.0
472.13486	0.5
501.30743	1.1
519.31744	11.7
520.32001	1.6
533.16797	0.6
599.27393	10.8
600.12939	0.6
600.27649	1.7
761.32703	56.0
762.33051	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45220	2.4
56.28590	2.0
59.01243	9.8
61.98699	11.5
65.37993	2.2
71.01249	7.6
72.38598	2.1
83.04893	6.4
87.00731	5.0
88.98672	2.2
89.02309	4.2
98.20654	5.1
113.02290	3.5
163.11070	2.7
171.10204	4.5
195.13788	8.2
205.12273	9.5
209.11786	100.0
210.12096	4.9
223.13356	96.0
224.13637	5.6
227.12839	17.1
229.28339	3.0
235.08009	4.4
253.09276	8.2
269.82047	2.0
445.20566	4.3
459.22244	15.1
633.32721	3.4
651.33459	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	761.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56791	1.0
63.36021	0.9
63.96118	1.8
70.80898	1.0
71.01258	8.9
73.02820	1.4
74.03529	0.9
78.98457	6.2
79.95616	12.1
80.96395	76.7
85.02831	3.1
87.00753	2.2
93.61129	1.0
94.97975	17.7
97.02840	2.3
98.19764	2.3
101.02337	2.6
106.97966	3.6
107.04868	1.1
109.48933	1.1
111.13277	1.0
122.97470	4.4
124.33819	1.0
125.02339	4.2
125.94297	1.2
134.97475	6.6
136.99074	2.0
138.65915	1.1
148.99062	7.4
152.98535	6.7
164.98572	12.4
206.99608	3.0
225.00708	18.7
255.23189	1.5
328.98450	1.1
333.78348	1.2
440.11896	1.3
496.81879	1.3
505.17526	2.6
575.29712	1.2
761.41516	100.0
762.41760	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62902	1.0
63.02259	2.8
65.00198	9.6
73.60051	1.0
74.38631	1.3
83.01270	5.1
92.45931	1.2
107.01269	14.1
108.64137	1.1
109.02894	1.2
151.00275	85.0
152.00645	3.7
167.63020	1.2
169.01338	1.9
178.99780	100.0
180.00085	3.0
243.03136	1.7
269.02856	1.3
271.02478	4.0
287.01993	2.3
299.01923	3.1
300.02756	3.4
301.03586	2.1
315.01477	28.4
316.01736	1.9
324.33249	1.2
332.12033	1.3
364.69949	1.2
424.13651	1.2
447.09293	4.3
772.13257	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	763.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
69.68822	2.4
71.01247	1.5
71.82315	0.4
78.95777	53.4
79.65853	0.4
79.95608	0.9
81.97604	0.4
88.85041	0.4
89.02341	0.9
96.95895	38.5
96.96843	100.0
98.95444	0.6
101.02300	0.9
103.39297	0.4
113.02319	0.5
118.44288	0.5
144.76273	0.4
151.95615	0.4
168.99022	0.5
179.05542	1.0
197.66685	0.4
221.06784	0.5
259.02206	7.7
265.38721	0.4
288.43069	0.4
315.80286	0.3
341.10828	1.1
383.11923	1.5
394.81052	0.4
443.13724	0.6
485.15118	0.7
601.13934	1.5
665.21466	4.5
666.22235	0.6
679.55170	0.5
763.19257	8.2
764.20313	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	763.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.5
60.99179	18.4
61.98694	0.8
70.67661	0.5
71.01250	0.4
72.99191	0.4
75.44949	0.2
78.95748	0.2
81.03345	0.2
83.04889	0.2
87.00741	1.3
88.00277	2.2
88.98679	100.0
89.02319	5.4
89.99020	1.0
90.01878	0.2
96.95878	0.2
101.02334	0.3
118.92679	0.2
155.35771	0.2
171.10194	1.3
181.01514	0.2
209.11784	5.3
210.12132	0.7
211.13376	1.0
227.12825	1.0
235.08327	0.3
253.09348	0.4
284.51767	0.2
397.13507	0.4
413.04150	0.2
507.83469	0.2
763.53540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01252	2.6
61.98693	1.0
71.01255	2.1
71.54074	0.5
72.99180	0.3
73.02824	0.6
79.95612	4.3
80.96371	0.5
83.86867	0.3
85.02824	0.9
87.00717	0.4
87.38913	0.3
89.02332	1.0
92.42704	0.3
96.95893	100.0
100.54725	0.3
101.02316	1.3
107.75326	0.3
113.02361	0.6
116.72588	0.4
138.96960	1.2
142.09529	0.3
171.10248	0.3
179.10666	0.3
191.05495	0.9
195.83171	0.3
209.08217	0.4
226.11751	0.3
238.65556	0.3
239.51784	0.3
259.01309	4.0
279.13589	0.4
313.23724	0.5
334.67615	0.4
341.26926	1.1
359.27972	3.5
360.28552	0.9
391.26840	0.5
439.19330	0.4
503.32236	1.2
521.25391	0.8
521.33276	15.8
522.33606	2.6
601.29053	11.4
602.29333	1.9
729.67029	0.4
763.34302	58.2
764.34607	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	763.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42753	0.2
59.01255	2.6
59.30766	0.2
61.98700	0.7
69.43165	1.2
69.43575	0.4
70.21215	0.2
71.01256	1.8
72.99159	0.3
73.02818	0.5
79.95609	3.6
80.96391	0.3
83.01286	0.3
85.02827	0.7
87.00769	0.3
89.02314	0.8
94.20236	0.2
95.95164	0.2
96.33270	0.2
96.95889	100.0
97.95835	0.5
101.02323	1.1
109.25708	0.2
113.02338	0.7
126.43607	0.2
138.96971	1.1
179.10767	0.3
191.05545	0.6
209.08192	0.3
223.09763	0.5
254.21718	0.2
259.01270	4.3
296.21597	0.2
313.23880	0.4
341.26907	1.0
359.28067	3.7
360.28448	0.4
391.27020	0.5
503.32224	1.3
504.31726	0.3
521.33337	15.2
522.33600	2.5
601.29016	12.4
601.38922	0.5
602.29102	2.0
714.83521	0.3
763.34259	51.3
764.34613	10.5
773.77795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32162	1.6
60.77122	1.3
63.96076	1.9
71.01244	9.6
71.16885	2.6
78.98463	6.9
79.95601	16.3
80.96392	96.5
81.03316	1.5
85.02798	2.2
87.00767	3.0
94.97961	23.5
97.02802	3.1
101.02325	3.2
106.97941	4.2
122.97469	4.0
125.02341	3.9
134.97459	6.1
148.04584	1.5
148.99042	7.6
152.98528	8.0
164.98550	14.0
206.99614	2.2
218.91879	1.5
225.00710	26.7
248.94121	1.5
255.23265	3.3
458.30112	1.8
507.15689	2.9
523.78668	1.9
537.27777	2.6
763.39429	100.0
764.26154	2.7
764.39764	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	764.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61913	2.7
62.08416	2.2
71.53863	2.5
72.99181	6.6
81.53681	2.3
83.18772	2.6
85.02824	11.0
87.00761	5.8
93.03329	13.7
115.68149	2.6
121.02901	3.9
127.03907	3.4
132.14871	3.0
132.47238	2.7
133.02835	4.3
135.04395	3.9
147.03188	3.4
147.04416	5.1
155.22740	2.6
165.05481	2.9
173.02364	3.2
173.04475	7.8
174.05588	2.6
175.19994	2.9
176.03429	3.1
191.05556	100.0
192.05917	5.7
200.03487	8.1
218.04529	10.9
236.05557	5.9
353.08618	4.2
392.09714	8.4
410.10931	24.1
479.50348	3.1
525.42517	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	764.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98402	0.2
62.99139	0.1
71.47086	0.1
72.99194	0.1
75.00744	0.8
84.55555	0.1
88.65695	0.1
88.98688	0.5
98.68182	0.1
209.11848	0.3
211.13336	0.3
251.93643	0.1
273.17093	0.1
308.89301	0.1
329.20096	0.1
765.39893	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	764.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91780	1.4
58.60317	1.4
59.01256	21.8
59.01543	2.5
61.98698	5.1
67.43530	1.5
70.04235	1.6
78.95779	23.0
80.96397	3.8
81.03342	2.0
83.01294	1.9
83.04888	8.4
125.09693	1.6
135.08034	2.0
152.99481	3.3
163.11223	7.7
165.12755	3.3
168.04243	8.3
191.10640	2.5
207.58105	1.4
209.11784	98.9
210.12100	5.6
223.13290	2.9
224.06879	6.4
226.12099	2.3
227.12848	15.4
238.91446	1.3
241.14430	21.0
242.14708	1.5
255.23282	80.0
256.23752	6.8
277.21747	4.9
419.25858	1.6
436.65500	1.7
480.30725	6.3
619.36298	1.8
645.37140	2.1
651.02246	1.7
690.43512	100.0
691.43848	28.0
704.44720	9.0
764.39038	3.2
765.40930	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	765.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02264	4.2
63.21841	3.3
63.87785	2.4
65.00197	5.9
69.20132	24.4
79.09627	2.6
83.99541	2.6
96.95905	3.2
98.73463	2.9
107.01271	11.5
109.02840	49.6
125.02361	5.1
132.01904	3.9
135.00804	4.0
139.00272	3.4
145.96989	2.8
151.00281	42.9
152.00954	7.6
153.01839	13.3
163.00287	36.6
164.00919	3.7
165.67816	2.6
166.99786	3.2
169.01332	3.8
177.01988	2.8
178.99805	34.1
180.00079	6.0
190.99832	36.8
191.05589	9.2
203.03555	3.4
206.99316	24.5
208.00021	7.7
227.03465	9.3
231.02913	3.4
240.33249	2.8
245.04457	4.1
255.02945	17.9
271.02496	17.2
273.04025	6.1
299.01895	12.0
300.02725	28.5
301.03549	26.7
302.03796	3.1
315.01343	4.5
316.02295	3.7
317.03000	100.0
318.03381	6.4
447.09290	58.1
448.09665	6.1
494.23636	3.0
618.66119	3.0
622.71259	3.0
768.30286	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	765.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19746	0.4
59.01255	0.8
60.99183	17.3
61.98701	1.9
66.47707	0.4
72.99189	0.9
74.77361	0.4
86.12184	0.5
87.00771	1.1
88.00298	2.4
88.98688	100.0
89.02328	10.9
89.99031	1.3
98.20546	1.5
124.23152	0.5
150.74254	0.5
209.11874	0.5
211.13330	0.7
223.13354	0.6
231.25162	0.5
277.21753	0.5
325.16574	0.4
383.26099	0.5
397.13770	0.5
415.14294	0.7
643.26477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46909	3.0
59.01245	3.8
60.99157	2.8
61.61513	2.8
61.98704	66.9
69.61504	14.1
71.01235	4.2
72.99174	9.4
83.04870	5.7
87.00751	3.9
88.98672	21.8
89.02329	5.1
96.95871	7.0
116.98445	2.9
125.02333	3.5
163.11101	3.8
171.10231	4.0
209.11771	100.0
210.12099	5.2
211.13286	4.3
227.12816	16.1
235.29643	3.3
253.09213	4.9
264.32925	3.2
325.74454	3.0
746.77673	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	765.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
61.98698	0.5
63.96111	1.7
69.03334	0.5
70.82079	0.5
70.82415	0.8
71.01250	9.4
73.02831	2.1
78.98464	6.8
79.95178	0.4
79.95607	15.2
80.96392	87.4
81.03313	0.8
83.01266	0.6
87.00752	3.8
94.97961	20.2
95.01254	0.6
96.95906	1.5
97.02826	1.9
101.02327	2.4
101.46983	0.4
106.97964	3.5
122.97471	3.9
125.02351	4.3
126.97199	0.4
127.03890	0.9
134.97482	6.0
136.99046	1.3
148.99048	7.4
152.98560	7.5
163.11087	0.4
164.98553	14.5
167.00101	0.5
188.98546	0.4
206.99590	3.0
209.11766	2.0
225.00711	25.3
226.01053	1.2
255.23393	1.6
283.04730	0.7
341.61597	0.5
384.61371	0.5
509.16995	3.3
537.27216	1.4
585.44946	0.4
720.63507	0.5
765.41003	100.0
766.41345	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
60.99194	0.3
61.98711	100.0
72.99191	0.2
75.00790	0.5
88.98687	1.8
89.02341	0.3
96.95876	0.3
106.14731	0.2
106.99964	0.2
153.77144	0.2
197.11864	0.4
209.11885	0.8
211.13313	0.3
273.16867	0.2
310.58444	0.2
323.04761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	2.7
67.09052	1.2
71.01260	9.5
73.02811	2.3
74.53329	1.3
78.95738	1.6
78.98466	8.6
79.95602	17.1
80.96391	96.2
81.03318	1.9
85.02819	3.3
87.00739	4.6
94.97959	22.0
96.95860	1.5
97.02792	2.1
101.02298	3.9
106.97962	4.5
122.97456	4.3
125.02301	2.3
127.03873	1.3
134.97467	6.0
136.99017	2.5
138.31848	1.2
141.49200	1.3
148.99048	9.0
152.98547	10.0
164.98552	16.7
167.00116	1.5
187.57863	1.3
197.11827	1.7
206.99652	3.2
225.00697	29.5
255.23270	2.4
267.95969	1.2
468.95871	1.3
511.18597	5.3
537.26691	2.1
579.66333	1.5
767.42523	100.0
768.42731	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	767.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.5
59.09252	0.4
61.98704	0.6
67.46146	0.4
68.10519	0.4
71.01252	2.3
72.41513	0.3
73.02835	0.8
79.95601	0.5
80.96383	3.2
82.95972	1.5
82.96854	0.3
85.02837	0.7
87.00739	0.5
89.02329	1.0
94.97977	0.6
97.02825	0.5
97.19556	0.4
98.20609	0.7
99.00729	0.4
101.02306	2.5
113.02348	1.4
119.03384	0.4
125.02398	0.4
145.05009	0.4
161.04463	0.5
164.98541	1.0
183.13834	3.5
188.60753	0.5
193.12321	1.4
211.13345	76.0
212.13724	4.3
225.00710	0.9
235.08163	5.6
253.09265	8.1
255.23460	0.4
277.21725	100.0
278.22086	9.0
429.21341	0.9
443.88684	0.4
447.22168	2.3
513.30853	1.4
767.41486	9.6
768.41583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05651	0.2
56.19498	0.3
59.01249	1.1
60.99178	16.0
61.98695	0.6
66.66891	0.3
72.99174	1.0
75.00745	0.4
81.03309	0.6
83.04882	1.3
87.00743	2.4
88.00278	5.9
88.98679	100.0
89.02319	13.2
89.99037	0.6
90.01831	0.8
96.95880	0.3
98.02321	0.3
112.43861	0.3
131.33983	0.3
154.93964	0.3
163.03831	0.3
183.61636	0.3
191.05539	0.5
218.56117	0.3
224.17630	0.4
225.16029	0.8
229.41281	0.2
238.33447	0.3
293.09879	0.3
381.58466	0.3
451.32977	0.6
559.39532	0.4
624.09760	0.3
673.46600	0.7
675.48334	2.0
677.49762	2.3
678.50476	0.5
689.46344	0.7
691.47449	1.3
707.50134	1.3
767.51367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13807	0.1
60.14045	0.1
61.98705	100.0
62.98391	0.2
66.87879	0.1
71.30838	0.3
71.31210	0.2
85.55307	0.1
97.97565	0.1
98.46554	0.1
114.42673	0.2
125.09347	0.1
232.01135	0.1
296.95728	0.1
314.73459	0.1
355.38629	0.1
441.10120	0.2
443.01709	0.2
547.87903	0.1
655.39294	0.1
772.31982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.3
57.03314	1.6
59.01253	30.9
63.77871	1.2
69.24064	8.3
69.24470	2.1
69.57645	1.2
71.01258	13.1
72.99197	2.1
73.02813	5.0
83.01299	1.9
85.02802	7.0
87.00761	3.7
89.02342	1.8
99.00738	1.5
101.02323	8.2
108.02081	1.2
109.02852	1.4
113.02336	3.1
120.86696	1.2
121.02840	3.7
131.69702	1.2
141.84317	1.2
145.02834	1.8
149.05350	1.3
159.04396	2.5
177.01971	1.2
202.87022	1.2
237.08997	1.2
240.04326	1.9
267.06622	2.0
268.07391	2.0
269.08115	5.3
270.08685	1.3
281.08228	10.2
282.08725	2.3
283.09735	6.2
284.10361	1.4
293.08359	2.1
295.09750	4.0
297.11234	2.0
299.09241	4.2
309.11081	1.9
311.09207	4.0
312.09912	2.3
314.11545	4.4
315.12292	4.5
326.11700	6.6
327.12225	4.7
329.13971	11.7
330.14114	1.4
341.13919	8.9
343.11942	2.4
355.11990	4.0
356.12527	2.1
369.12952	1.3
413.15567	1.3
441.30499	1.4
455.13443	1.9
458.15955	6.6
461.14117	1.6
470.15897	4.7
473.18408	20.8
474.18729	2.6
476.17047	7.8
485.18182	17.0
486.18314	3.5
488.16965	5.4
491.19241	42.9
492.19540	7.1
503.19193	34.8
504.19513	4.4
521.20319	2.5
533.20288	100.0
534.20721	17.8
545.20294	78.8
546.20630	14.6
563.21521	16.0
564.21527	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	769.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36958	0.5
59.01236	1.3
61.98702	16.4
63.96094	1.2
69.03349	0.6
69.61602	0.6
69.75633	1.1
69.76055	2.2
71.01256	7.9
73.02811	1.8
78.95777	1.8
78.98461	6.9
79.56305	0.6
79.95608	13.5
80.96393	76.8
81.03330	1.2
83.04914	0.9
85.02821	3.3
86.58347	0.5
87.00758	3.1
90.63828	0.5
92.81087	0.5
94.97964	18.1
96.72130	0.7
96.95897	2.6
96.96889	0.6
97.02816	2.5
99.00760	1.0
101.02316	3.5
106.97967	3.4
113.02321	0.7
114.22202	0.6
122.97453	3.5
125.02331	4.1
127.03873	0.9
131.14836	0.6
134.97470	6.0
136.99039	2.2
146.97456	0.6
148.99068	8.8
151.97762	0.5
152.98534	6.8
164.98553	15.6
166.99985	0.7
172.33212	0.7
174.41991	0.6
185.30293	0.5
191.05476	0.6
192.19894	0.6
206.99655	3.5
209.11769	10.9
210.12090	2.5
225.00694	29.5
226.00980	1.0
227.12849	0.8
229.01224	0.6
241.14432	1.2
242.14719	0.6
256.90826	0.6
481.47098	0.6
501.04477	0.6
509.16675	3.8
541.19464	2.3
602.01587	0.7
661.17236	0.6
677.34583	1.2
750.26715	0.6
756.50769	0.8
769.33197	100.0
770.33508	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	769.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.5
59.01260	10.0
61.98711	16.7
69.03316	5.3
71.01253	10.2
71.04893	2.6
71.54166	1.3
73.02815	2.5
81.03297	1.8
83.01272	2.0
83.04900	2.6
85.02817	3.3
87.00764	3.3
89.02319	2.6
95.01281	1.5
95.04884	2.1
96.95874	1.8
97.02840	1.3
97.06473	2.8
99.18545	1.4
101.02322	4.9
109.06457	3.2
111.08034	3.7
113.02323	4.4
123.08035	1.8
125.02399	1.6
125.09592	5.0
127.07480	1.4
127.11177	1.4
137.09563	2.1
151.11203	3.4
153.12761	2.1
161.04494	2.3
161.09601	4.1
163.11217	3.3
169.12267	2.4
171.10182	13.4
179.10733	8.1
181.12254	2.9
183.13821	1.6
195.13861	1.9
197.11774	89.7
198.12099	5.3
199.13345	2.1
201.11269	4.0
205.12190	1.4
207.10146	5.2
209.11777	34.5
210.11949	1.5
211.13309	4.4
223.09752	2.1
225.11295	11.6
227.12889	7.8
235.08238	2.8
235.13290	1.7
241.10777	4.2
247.13417	3.1
253.09291	9.5
263.20105	1.5
289.18088	8.0
291.19461	1.6
305.17603	5.4
307.19153	3.5
309.20685	3.4
445.20309	2.0
459.18820	2.4
468.52411	1.6
477.19427	1.8
607.36023	1.5
769.40173	100.0
770.40381	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	769.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03325	1.6
57.79015	0.7
59.01251	7.0
61.98706	5.7
61.98990	1.0
62.09563	0.7
68.17421	0.7
69.03335	5.1
69.82573	3.8
71.01249	9.0
71.04889	2.6
72.99196	1.0
73.02816	2.1
81.03349	0.9
82.57629	0.7
82.66918	0.7
83.01262	1.2
83.04902	2.0
85.02831	1.7
86.04428	0.7
87.00768	0.9
89.02317	2.8
95.01261	0.9
95.04957	1.3
96.95855	1.5
97.02819	1.7
97.06452	1.6
98.20222	2.4
99.00750	2.3
101.02325	4.3
109.06451	1.2
111.08058	5.2
113.02330	3.6
115.52720	0.8
119.03307	0.8
123.08031	1.7
125.09618	4.9
149.19547	0.8
151.11151	4.8
153.12764	2.8
161.04457	2.2
161.09607	2.8
163.11168	2.5
165.12564	0.9
169.12238	2.9
171.10184	15.2
179.05562	1.0
179.10677	7.0
181.12286	2.5
185.11815	1.2
197.11769	87.8
198.12178	5.7
199.13289	1.7
201.11188	1.0
207.10164	3.8
209.11792	14.1
210.12102	1.0
211.13329	4.0
211.78035	0.8
223.09714	2.4
223.13300	0.9
225.11282	10.3
227.12866	1.9
235.08150	1.7
241.10745	2.7
243.12337	3.9
244.88576	0.8
253.09248	6.4
263.20081	1.6
285.88788	0.8
289.18195	3.7
291.19699	3.0
307.19211	3.8
309.20660	5.2
363.61310	0.8
477.19952	1.4
500.08884	0.8
648.92889	0.8
649.62152	0.8
769.40204	100.0
770.40540	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.1
61.98693	1.3
65.76559	0.7
66.90948	0.6
68.99664	0.6
69.03313	0.6
71.01263	4.4
71.54601	1.1
73.02810	0.9
77.27304	0.7
80.02577	1.2
81.03339	0.9
82.96148	0.6
83.04899	5.4
84.02059	0.7
85.02846	1.5
87.00779	0.7
89.02312	1.9
101.02319	2.9
111.08043	3.6
111.10460	0.7
111.11246	0.6
113.02337	1.9
115.41521	0.7
125.05955	0.6
125.09629	1.2
161.04468	1.3
163.11209	3.8
165.12772	2.4
167.10638	0.9
169.12241	0.8
171.10173	2.1
179.10674	1.1
191.10686	1.1
195.13853	0.7
197.11751	1.5
209.11769	100.0
210.12129	6.4
211.13353	1.3
225.11266	1.3
227.12845	14.1
228.13135	1.0
235.08150	3.4
241.14384	2.5
241.88683	0.6
247.20555	1.8
251.02650	1.5
253.09253	9.5
273.18546	1.5
281.20578	0.6
288.04593	1.6
291.19662	51.9
292.19998	4.5
309.20801	1.3
323.22275	22.2
324.22525	1.4
394.61111	0.7
445.20761	1.6
527.28485	3.9
559.31201	0.9
720.41547	0.7
769.42694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	23.5
61.98698	5.0
69.38638	7.1
71.01263	4.2
72.99180	1.2
73.02829	1.7
78.95786	2.3
80.96390	3.7
85.02826	1.7
87.00754	2.0
88.24758	0.9
89.02322	1.2
94.97941	1.0
98.20326	3.5
101.02306	2.7
113.02343	1.6
125.09621	1.4
127.11183	4.1
129.14732	1.0
151.11166	1.2
155.10716	7.5
157.12181	1.7
161.04449	1.9
167.10712	8.4
171.10184	19.7
185.11765	33.8
186.12097	1.6
195.10202	6.0
209.11711	1.3
213.09225	2.2
213.11267	42.5
214.11665	3.0
225.00740	1.3
235.08191	2.7
253.09245	5.6
277.09293	2.4
277.21732	100.0
278.22131	9.8
293.21198	2.7
294.21692	1.2
295.22809	1.2
431.19223	3.5
449.20230	3.6
459.17490	1.1
463.66135	1.2
709.41687	1.7
769.40747	4.5
770.40552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	8.9
61.98690	1.6
62.20459	0.6
67.28379	0.7
71.01266	7.8
71.54188	0.7
73.02842	1.5
80.96406	1.0
83.01245	1.1
83.04906	2.8
85.02873	1.4
89.02319	3.0
101.02338	5.2
113.02312	1.9
118.29359	0.7
153.12778	0.9
161.04459	1.7
163.11226	2.2
165.12688	1.0
169.12299	13.5
171.10213	2.7
185.11821	4.1
195.10220	0.9
197.11790	25.2
198.12097	1.5
209.11801	81.9
210.12108	5.6
213.11292	3.5
227.12862	9.8
228.13237	0.8
235.08243	4.7
237.15111	0.8
253.09250	9.5
254.09702	1.0
277.21765	100.0
278.22125	9.7
445.20932	1.5
737.41241	25.3
737.54608	1.3
738.41986	6.2
769.43695	12.1
770.43964	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	770.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73500	0.2
59.01253	0.3
61.98704	100.0
71.01238	0.5
78.95793	0.5
79.95613	0.2
80.96383	0.6
83.04914	0.3
83.95832	0.2
85.02834	0.3
96.95878	1.4
96.96846	0.6
101.02348	0.3
109.06507	0.4
109.38892	0.2
126.90392	0.3
152.98645	0.3
171.10190	0.6
177.64168	0.2
199.13397	0.3
207.10318	0.9
209.11775	3.4
210.12184	0.6
211.13335	0.6
225.11244	0.5
227.12903	1.3
235.08186	0.3
253.09372	0.7
305.17877	0.2
325.20386	0.5
327.21921	0.3
755.10760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
61.98706	100.0
65.88338	0.3
70.44875	0.7
71.01274	0.3
77.44888	0.3
80.96396	0.9
84.88598	0.3
99.29534	0.3
100.48360	0.3
164.98598	0.3
170.03796	0.3
211.13470	1.0
212.13739	0.5
213.13986	0.4
267.19904	0.5
273.17130	0.6
274.17599	0.5
277.21783	1.3
278.22034	1.5
327.53482	0.3
411.85757	0.3
421.05493	0.3
691.41168	0.3
770.41162	0.5
771.41199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.0
61.98711	10.9
67.38420	1.5
69.88487	4.5
69.88895	3.4
75.00754	10.2
78.95310	2.4
78.95775	48.7
80.96367	3.0
98.19937	3.6
98.20473	1.6
119.68464	1.5
121.02824	1.9
122.00031	2.9
140.01096	15.1
152.99500	8.2
167.14323	3.0
175.57249	1.6
193.15927	1.8
196.03738	8.5
202.82396	1.6
211.12959	1.7
213.11053	1.8
223.20615	3.1
225.00684	2.2
237.06209	1.6
249.18617	9.5
267.19666	91.1
268.20038	6.6
275.16595	10.7
277.21780	5.0
279.23300	29.4
293.17618	43.5
294.17868	3.8
311.18658	53.8
312.19147	5.2
378.98318	1.7
390.23093	1.8
429.17310	1.9
447.17902	4.6
476.27893	4.7
490.22098	9.1
524.56268	1.8
667.42181	1.7
770.46136	100.0
771.46790	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	4.8
71.01275	0.5
76.01450	0.2
77.38789	0.2
78.95778	24.5
79.95605	3.0
80.96400	1.0
94.97987	0.4
96.95901	100.0
96.96847	35.7
97.95831	0.3
98.02386	1.0
98.19781	0.5
98.98753	0.2
125.02308	0.3
132.31361	0.2
171.10167	0.3
209.11751	2.9
214.24432	0.2
225.00726	0.3
227.12910	0.4
252.81458	0.2
253.09325	0.3
265.07602	1.3
350.50412	0.2
382.41174	0.2
457.19318	0.3
483.15610	0.6
771.34778	1.5
772.33661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75506	0.3
54.40134	0.3
55.01751	0.4
57.03319	1.0
57.28843	0.3
58.00476	0.3
59.01256	4.4
61.98706	6.6
69.03326	1.1
71.01265	4.4
71.04884	0.9
72.99174	0.4
73.02825	0.9
78.53745	0.3
78.95778	0.7
80.02555	1.6
80.96404	0.7
81.03365	1.6
83.01261	0.6
83.04900	5.0
84.02041	0.6
85.02815	1.2
85.06438	0.3
87.00764	0.8
87.04366	0.5
89.02332	2.1
91.05457	0.3
93.03308	0.4
95.04919	1.3
96.95898	1.6
96.96866	0.7
97.02840	1.6
97.06470	1.3
99.00766	0.6
101.02325	3.0
107.04902	0.8
109.06490	7.7
111.04455	0.3
111.08064	0.4
113.02341	2.4
115.07552	0.4
119.03419	0.9
121.06446	0.4
123.08022	0.4
125.02391	0.6
125.05981	0.8
125.09604	1.1
127.07591	1.4
127.11254	0.4
135.08032	0.8
137.09572	0.4
143.03416	0.4
145.04900	0.6
151.11169	0.4
153.09129	1.2
153.12764	0.4
155.10802	0.5
161.04475	1.3
163.11198	4.9
164.11513	0.3
165.12805	2.3
167.10669	0.4
169.12228	1.3
171.10201	5.2
172.10553	0.4
179.05492	0.4
179.10732	0.4
181.12323	1.7
183.13838	1.0
190.18073	0.3
191.10744	1.3
192.54265	0.3
193.12216	0.4
197.11792	10.6
198.12096	0.7
199.13312	1.4
201.11269	0.4
207.10231	6.2
208.10583	0.5
209.11789	100.0
210.12128	6.9
211.13368	9.4
212.13676	0.4
221.11760	0.4
225.11316	3.1
227.12852	12.8
228.13181	0.8
229.14433	1.0
231.13889	0.3
235.08232	3.6
235.13358	2.1
237.14920	1.1
245.18965	0.5
249.15005	0.9
253.09283	12.5
254.09645	0.6
289.18188	2.5
291.19577	0.5
307.19223	7.0
308.19507	0.7
309.20605	1.0
325.20224	29.2
326.20566	2.7
327.21796	5.9
328.22168	0.6
445.20682	1.1
461.20337	0.8
508.98984	0.3
517.31927	0.5
543.27979	1.4
544.28735	0.4
561.29388	1.2
563.30347	0.4
735.40295	0.6
753.40729	1.1
771.41974	3.6
772.41858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.0
61.98707	19.8
71.01249	4.7
71.53426	3.6
74.14180	2.7
78.95777	6.0
83.04876	4.4
85.03735	2.9
87.76601	2.5
94.97994	2.7
96.81789	2.4
96.95924	14.2
96.96857	3.2
116.51323	2.6
116.92727	4.4
118.97114	2.8
122.01513	2.8
171.10254	3.4
191.45250	2.8
209.11798	100.0
227.12852	33.8
235.08211	5.7
235.42046	3.0
253.09239	11.0
327.21722	13.7
328.07031	2.6
367.36365	3.0
445.20779	10.2
521.79193	2.9
599.10486	2.8
637.32306	3.8
695.17163	3.0
696.46191	3.0
705.44391	3.2
720.42047	3.1
773.37299	17.2
774.38196	4.0
788.11340	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	773.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.9
61.96019	1.4
61.98700	12.5
65.60092	1.5
67.38225	1.6
69.68946	1.3
69.78012	8.1
71.01236	6.3
75.00768	2.0
82.73550	1.4
83.02385	3.8
83.04890	3.7
85.02849	2.0
87.00735	2.2
89.02320	3.6
93.70554	1.6
95.53516	1.6
96.95902	10.3
101.02325	5.6
103.00256	2.0
108.73008	1.6
109.06422	1.6
111.08031	5.9
111.92141	1.5
113.02409	2.7
114.93318	2.0
116.92699	1.8
119.03438	1.6
127.11107	2.4
151.11191	2.0
155.10667	1.9
159.52092	1.6
161.04388	1.8
163.11217	2.1
165.12753	1.8
169.12285	3.5
171.10176	4.7
181.12344	2.0
185.11790	2.3
197.11781	36.7
198.12173	3.5
199.13327	4.8
201.11267	43.9
202.11588	2.6
209.11789	100.0
210.12096	5.4
211.13394	12.8
225.11243	2.9
227.12894	13.6
235.08167	5.8
253.09280	29.9
254.09462	2.5
291.19653	14.6
292.20007	1.9
296.37515	1.5
309.20703	49.5
310.20959	5.7
327.21814	4.6
399.21432	1.6
437.20532	2.2
445.20673	1.9
463.21579	1.5
773.42511	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	773.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
57.03320	1.1
58.00454	0.4
59.01255	4.3
61.98704	1.5
68.51761	0.3
69.03333	1.0
71.01260	4.3
71.01929	0.6
73.02823	0.8
78.95784	0.8
80.02554	1.2
81.03346	0.8
83.01263	0.7
83.04911	4.2
84.02036	0.8
85.02839	3.8
85.88683	0.4
87.00749	1.0
89.02322	2.7
95.01296	0.5
95.04900	0.8
96.95905	3.1
96.96862	1.1
97.02847	1.0
97.06469	1.9
101.02335	4.2
109.06512	0.4
113.02338	1.9
116.92771	2.4
119.03407	0.8
121.79832	0.3
123.08045	0.5
125.05996	0.5
125.09605	0.8
127.11172	0.7
128.14973	0.3
133.04967	0.4
134.25201	0.3
135.08069	0.6
137.09653	0.8
143.03384	0.5
145.04953	0.7
155.10741	0.7
161.04526	1.7
163.11230	4.3
165.12770	3.1
167.14365	0.5
171.10197	10.8
172.10519	0.6
177.12740	0.7
179.05472	0.7
181.12239	0.6
183.13844	1.6
185.11919	0.4
191.10757	0.8
193.12238	0.5
197.11790	0.7
201.11205	0.5
203.10748	0.3
209.11789	100.0
210.12131	6.6
211.13359	9.2
212.13617	0.5
221.11748	1.3
227.12848	13.5
228.13205	0.9
229.14435	6.5
229.16685	0.2
230.14809	0.5
235.08206	8.6
236.08630	0.5
239.12833	0.9
243.92247	0.3
253.09299	18.5
254.09621	1.2
291.19678	3.5
292.19739	0.3
309.20706	6.4
310.21124	0.9
315.66553	0.3
327.21790	60.0
328.18408	0.4
328.22125	6.0
351.21631	0.3
354.38110	0.3
445.20734	2.2
519.33270	1.1
545.29541	0.8
563.30798	2.5
564.30896	0.6
586.58923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96015	2.3
59.01246	6.8
61.98711	100.0
64.05198	2.3
70.03602	2.5
70.68982	2.3
70.69311	4.3
71.01264	5.9
73.02843	3.1
78.95789	9.2
80.96457	2.9
83.30501	2.2
101.02325	4.0
131.11276	2.2
152.99504	4.9
163.11201	4.2
171.10207	24.1
189.09254	3.2
199.09734	13.0
201.11287	3.1
207.10202	19.9
225.11305	51.3
226.11591	4.1
235.08247	8.3
253.09259	9.7
277.21747	81.5
278.22119	9.1
407.45743	2.6
443.19342	10.3
461.20132	14.5
490.60724	2.8
513.30670	4.5
526.75165	2.8
618.01862	2.8
695.40027	19.1
721.41632	22.3
722.42175	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	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	5.5
61.98700	19.6
65.84890	4.7
69.33984	6.3
69.34389	28.4
73.02776	4.7
78.95778	12.4
81.75407	5.0
98.19814	11.2
131.93477	4.6
152.99492	6.5
209.11777	85.3
211.13364	5.5
212.18056	4.6
223.13249	4.8
227.12949	24.0
253.09267	19.5
275.19980	7.9
293.21219	100.0
294.21350	11.1
529.30444	9.2
534.27710	5.0
635.60529	5.5
744.11285	5.4
770.22852	5.3
775.40601	40.9
776.40942	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	775.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	96.3
60.98289	23.1
61.98705	100.0
67.21101	22.1
72.23474	22.6
78.95788	42.6
87.00761	24.6
149.90764	24.0
158.05829	22.3
211.13312	44.4
277.21561	46.7
285.69528	24.8
390.60541	24.9
396.16101	24.8
715.45868	29.5
775.41150	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98700	0.5
59.01260	2.4
61.98693	1.2
67.33935	0.4
71.01257	2.2
71.54372	0.5
78.95781	1.2
79.95607	5.6
80.96416	0.6
82.77525	0.5
85.02820	0.9
89.02321	1.1
96.95894	100.0
98.02325	0.6
98.95480	1.8
101.02316	1.1
138.96901	0.7
157.12305	0.6
165.01839	1.0
169.12303	0.5
179.10727	0.5
185.11736	0.5
191.05614	1.1
195.06502	0.6
215.12935	1.3
218.59949	0.5
227.07043	2.2
228.07349	0.6
240.85982	0.5
259.01291	3.1
303.92596	0.6
343.24792	1.9
355.24765	2.4
357.26321	1.9
373.25967	6.2
380.71600	0.5
437.22098	1.5
453.20590	0.5
517.30280	1.0
535.31238	14.7
536.31659	2.8
615.26904	10.1
616.27112	1.6
777.32196	53.5
778.32526	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	777.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.0
59.55833	2.5
61.98716	15.4
63.40632	2.6
63.67223	2.4
65.35005	2.6
76.23798	2.5
91.30770	2.9
97.82751	2.4
101.02325	4.3
115.15856	2.5
137.40207	2.5
169.27644	2.7
169.36819	2.7
171.10156	3.7
199.13345	7.2
199.27866	2.5
201.11252	35.0
209.11815	60.3
210.12199	3.7
225.11137	4.0
227.12865	35.3
235.08218	11.7
253.09256	15.1
276.73788	2.9
277.21747	100.0
278.22079	9.1
330.52750	3.2
445.20782	6.0
463.21848	9.4
513.30762	7.2
617.45355	3.1
674.90729	3.0
705.42456	3.9
723.43561	11.6
724.43927	4.4
777.42578	13.7
778.42389	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	779.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41706	0.7
56.20578	0.6
63.02276	2.3
65.00193	8.3
69.26234	5.8
77.66456	0.7
83.01254	5.2
96.95876	0.9
98.19838	1.3
107.01268	15.8
109.02834	0.9
151.00276	100.0
151.23982	0.7
152.00630	2.9
164.36511	0.7
169.01317	1.8
178.99780	98.5
180.00122	4.0
191.05496	1.7
243.02965	0.9
257.84543	0.7
259.02509	1.1
271.02487	2.5
287.01987	1.6
299.01877	1.2
300.02759	1.7
301.03333	1.3
315.01474	21.5
316.01971	1.9
324.40231	0.8
337.38626	0.7
457.07187	0.8
463.08844	1.9
576.69415	0.7
579.78345	0.7
631.59412	0.8
636.68060	0.7
644.54779	0.6
644.65509	0.7
701.13116	0.7
705.70416	0.7
800.55054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01254	26.0
61.98682	0.6
64.82577	0.3
69.03333	2.7
70.29084	1.1
71.01257	3.8
71.04889	0.6
73.02812	0.8
75.58452	0.3
78.95781	1.4
79.95601	0.5
80.07787	0.3
80.96393	2.5
83.01241	0.6
83.04897	0.6
85.02821	1.1
85.06454	0.5
87.00758	0.5
89.02324	2.2
94.97944	0.6
97.02792	0.3
98.20211	0.8
101.02326	3.3
109.06511	0.9
113.02361	1.9
119.03383	0.5
134.91803	0.3
141.09166	0.3
143.03426	0.5
145.39124	0.4
149.09695	0.4
151.11137	0.4
161.04463	1.5
161.13431	0.5
164.98575	0.4
167.10696	3.2
177.12770	0.6
179.05574	0.7
179.10664	1.9
179.14372	3.3
195.13847	10.3
196.14310	0.6
205.12276	9.7
206.12592	0.7
206.86029	0.4
223.13354	100.0
224.13683	6.2
225.00719	1.2
225.11234	0.4
235.08167	3.3
241.01419	0.4
253.09271	8.5
255.23291	0.6
275.19952	0.3
277.21729	77.5
278.22043	6.2
309.58011	0.3
335.01862	0.4
441.21152	2.5
445.83371	0.4
459.22354	12.4
460.22421	1.8
507.10028	0.4
513.30536	0.4
666.70660	0.4
719.43628	1.4
779.39563	4.4
780.39508	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	781.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.2
63.96078	1.3
65.89010	0.7
70.39635	2.5
71.01262	5.1
71.85497	0.8
72.99165	0.9
73.02833	1.4
78.95775	45.0
78.98463	3.9
79.95609	7.4
80.96394	40.3
80.96905	0.9
81.03329	1.4
83.04920	4.7
84.02045	0.9
85.02808	0.9
87.00744	1.3
94.97966	8.9
95.04905	0.9
96.96844	11.2
97.02832	1.0
98.20370	1.7
99.00758	1.0
101.02345	1.4
106.97961	1.7
109.69854	0.8
122.97444	1.7
125.02369	1.7
134.97476	2.8
148.99019	2.9
152.98489	2.4
152.99570	8.7
163.11180	3.1
164.98555	6.5
165.12683	1.7
181.12186	1.1
199.13339	0.9
206.99666	1.5
209.11771	36.4
210.12085	2.9
223.00089	2.8
225.00685	13.8
227.12845	4.6
241.01144	20.5
255.23280	27.6
256.23599	2.3
259.02405	1.2
277.21793	1.3
363.12204	1.5
391.22446	1.8
525.16864	2.1
531.74731	0.9
553.28064	1.1
609.82794	0.9
763.39404	5.4
764.39331	1.0
775.77155	1.0
781.41058	100.0
782.41455	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	781.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47889	1.6
57.85752	2.0
59.01248	5.3
60.99198	2.2
61.98710	29.6
71.01250	4.6
72.99186	5.9
75.00755	3.0
78.95790	3.3
79.36747	2.1
80.96404	2.1
83.04912	3.2
83.50410	2.3
88.30933	2.1
88.98676	14.9
89.02305	2.9
96.95901	3.2
101.02321	3.1
103.78658	1.9
106.12593	2.1
123.00790	3.9
183.13847	7.5
193.12244	3.3
209.11787	95.2
210.12119	5.6
211.13365	100.0
212.13594	5.7
227.12909	15.8
235.08192	3.4
253.09280	7.4
445.20905	5.4
447.22214	10.2
639.34100	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	781.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
57.03320	0.8
59.01258	11.4
61.98697	0.4
69.03334	0.6
71.01259	3.6
71.01630	0.4
71.01809	0.4
71.02140	0.4
71.04884	0.4
73.02829	1.0
78.95796	0.5
78.98464	0.4
79.95629	0.8
80.96400	3.2
83.04902	0.5
85.02835	1.0
87.00771	0.9
89.02333	1.6
94.97983	1.0
95.01266	0.7
95.04935	0.4
97.02849	4.0
97.06496	0.4
99.00771	6.5
100.01132	0.4
101.02335	2.7
109.06528	0.8
110.03620	0.7
113.02358	1.3
119.03365	0.4
120.38077	0.3
125.02318	0.5
125.09607	1.9
135.08121	0.5
136.05226	0.5
142.02650	1.3
145.04941	0.4
161.04424	0.8
163.11240	3.1
164.98584	0.5
179.05644	0.5
181.10780	0.6
181.12291	9.1
182.12666	0.5
207.10233	27.1
208.10594	1.1
219.75081	0.3
225.00703	1.3
225.11308	54.3
226.11649	3.0
233.22665	0.5
235.08255	3.3
243.12392	5.6
244.12790	0.5
253.09285	4.0
255.23228	0.4
259.20621	0.4
275.20291	0.5
277.21756	100.0
278.19040	0.4
278.22098	8.9
280.92874	0.4
309.13547	0.4
317.16205	0.4
345.15720	0.5
405.17834	0.5
443.19296	4.5
444.19638	0.9
461.20340	5.9
462.20523	0.6
513.31049	0.7
721.41742	19.0
722.42017	3.9
781.40533	4.2
782.41187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60500	0.4
55.01751	0.4
57.03317	0.5
59.01252	15.0
61.98703	0.8
69.03314	0.7
71.01255	5.0
71.04898	1.0
72.99203	0.6
73.02829	1.1
78.95770	0.5
79.95617	0.8
80.96399	4.0
81.03352	0.4
83.01270	1.0
83.04929	0.6
85.02825	0.7
87.00761	1.1
89.02330	2.0
94.97979	0.6
97.02834	6.1
97.06473	0.9
99.00758	9.7
100.20528	0.4
100.27470	0.4
101.02316	2.9
109.06500	1.2
110.03636	1.4
113.02345	1.9
119.03364	0.5
123.08049	0.8
125.02309	0.8
125.09621	3.3
135.08081	1.1
136.05190	1.1
142.02664	2.0
145.04959	0.4
161.04492	1.2
161.09625	0.5
163.11198	7.7
164.98598	0.5
179.10699	1.0
181.12265	17.0
182.12579	1.1
197.11700	0.9
199.13322	1.4
207.10210	48.2
208.10480	2.1
225.00700	1.3
225.11279	100.0
226.11598	5.8
233.22697	0.6
235.08247	1.9
239.12712	0.5
243.12350	11.3
244.12701	0.6
253.09224	2.8
275.19968	0.4
277.21722	80.5
278.22064	7.3
299.14948	0.9
317.16122	0.9
339.69852	0.4
396.52252	0.5
405.98715	0.5
443.19174	4.4
444.19333	0.6
461.20313	39.8
462.20691	3.9
577.37982	0.5
619.67261	0.4
721.41724	27.1
722.42163	5.4
781.40326	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	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87611	0.5
59.00954	0.8
59.01253	14.1
59.17766	0.5
61.98703	8.2
65.54906	0.6
69.88992	2.1
71.01259	6.9
72.99180	0.6
73.02827	1.5
77.80871	0.5
78.95781	6.5
78.98470	1.9
79.95621	3.7
80.96394	20.0
81.03350	1.6
83.01282	0.9
83.04904	2.2
85.02843	2.4
87.00753	2.0
89.02333	1.9
90.60247	0.6
94.97949	4.1
95.01297	0.7
96.96854	1.6
97.02830	3.7
98.19755	0.5
99.00772	1.5
101.02328	5.4
106.97949	0.6
109.06484	15.3
112.98512	0.6
113.02355	2.0
119.48246	0.6
121.06522	1.1
122.97446	1.3
125.02335	1.1
134.97459	1.4
135.08061	1.6
136.05205	1.6
142.02605	1.5
145.04994	0.9
148.99071	1.8
152.98518	1.5
152.99544	1.6
161.04501	1.9
161.09624	1.8
163.11191	8.4
164.98592	3.7
181.12274	1.9
189.09155	1.9
201.74539	0.6
206.99666	1.1
207.10211	53.5
208.10591	3.4
209.11794	5.0
225.00677	7.0
225.11275	16.4
226.11597	1.4
227.12779	1.7
235.08183	6.0
241.01227	2.8
253.09305	10.7
255.23279	5.1
277.21738	100.0
278.22101	10.6
294.99326	0.7
299.15024	0.8
303.01807	0.6
443.19168	2.7
461.20316	4.4
467.31567	0.9
703.40491	0.7
721.41705	24.2
722.42157	5.5
763.38409	0.8
781.40723	32.4
782.40857	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	781.4414
Annotation	lugdunin
Peak:m/z	Relative Intensity
63.96108	1.4
64.13686	0.6
69.03316	0.7
71.01252	8.4
73.02815	2.1
78.98470	6.0
79.95615	11.9
80.96393	77.7
81.03314	0.8
85.02805	2.1
85.62518	0.6
87.00746	2.8
94.97957	20.5
96.95895	1.1
97.02843	1.5
99.00716	0.6
101.02322	2.1
106.97984	3.2
116.66263	0.6
122.97480	3.6
125.02374	3.6
127.03893	0.8
134.97520	4.4
136.99013	1.9
148.99062	6.4
152.98532	6.0
161.04437	0.8
164.98553	12.3
175.63489	0.7
206.99611	2.9
211.13327	2.0
225.00710	19.4
226.01019	1.0
255.23260	1.9
525.20361	3.2
537.27570	1.4
584.28491	0.9
749.40845	0.9
781.44104	100.0
782.44373	23.9
782.58936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.1
60.29870	0.1
60.99195	0.1
61.60323	0.1
61.98709	100.0
62.98398	0.2
70.67102	0.2
72.99201	0.2
75.00759	0.8
75.53210	0.1
78.95812	0.1
80.96404	0.2
88.98704	0.5
91.04485	0.1
94.97997	0.1
118.30135	0.1
169.46266	0.1
209.11823	0.4
219.24864	0.1
783.35571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.5
59.82150	0.1
61.98711	100.0
65.87026	0.1
69.64416	0.6
69.64824	0.3
71.01287	0.2
73.02798	0.2
75.00751	0.2
78.95799	0.5
78.98499	0.4
79.95634	0.7
80.96399	3.2
87.00754	0.2
94.97984	0.7
95.61573	0.2
99.09206	0.2
108.46741	0.2
121.97318	0.2
122.97453	0.2
148.99045	0.3
152.98532	0.2
164.98596	0.6
177.94167	0.2
209.11812	0.3
223.13377	0.8
224.13803	0.7
225.00757	0.8
225.14023	0.2
241.01350	0.2
255.23376	0.4
277.21881	0.8
278.22104	1.0
279.22455	0.5
672.81812	0.2
750.44519	0.2
764.39832	0.6
782.40845	3.3
783.41315	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	784.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.2
61.98705	100.0
62.98423	0.2
68.15250	0.1
69.43984	0.7
71.01257	0.1
71.06000	0.1
78.95803	0.1
96.95895	0.3
96.96841	0.2
98.20025	0.4
103.90608	0.1
119.05109	0.1
126.90255	0.1
163.99033	0.1
171.10225	0.3
207.10281	0.2
209.11830	0.2
211.13324	0.2
221.11838	0.2
225.11325	0.3
227.12914	0.2
235.08240	0.2
239.12953	0.2
253.09433	0.2
267.44208	0.1
327.21906	0.2
341.23248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42410	0.1
59.01232	0.6
61.98705	100.0
62.98405	0.2
71.01274	0.6
73.02822	0.1
78.98483	0.3
79.95596	0.9
80.96391	4.5
82.95966	0.3
83.01297	0.1
85.02848	0.1
87.00761	0.3
94.97960	0.9
96.34715	0.1
97.02831	0.1
101.02303	0.2
116.92737	0.8
122.97498	0.2
125.02357	0.2
134.97484	0.3
147.24411	0.1
148.99043	0.2
152.98532	0.4
161.04465	0.1
164.98573	0.7
197.11757	0.5
199.13350	0.2
206.99603	0.3
207.10289	0.2
209.11804	2.1
210.12102	0.2
225.00706	1.1
226.00989	0.3
227.12848	0.4
253.09261	0.3
255.23381	0.2
272.61920	0.1
277.21707	1.5
278.22000	0.6
279.23291	1.1
313.40118	0.1
317.64053	0.1
409.79700	0.1
443.49295	0.1
537.27637	0.1
573.81720	0.1
740.39594	0.2
783.42096	0.4
784.42358	5.6
785.42444	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	785.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	18.6
61.98703	3.4
69.03336	0.4
70.87061	0.4
71.01257	3.6
73.02822	0.6
78.95778	0.3
78.98480	0.4
79.95624	0.6
80.96397	4.4
80.98029	0.3
82.95965	2.0
83.04913	0.4
85.02823	0.8
87.00769	0.5
89.02308	1.8
94.97992	0.7
96.97542	0.3
97.02841	0.6
101.02332	2.1
106.97995	0.5
113.02331	1.5
115.03924	0.4
119.03371	0.6
133.05051	0.3
145.04974	0.7
152.98523	0.4
153.12799	1.1
158.44286	0.3
161.04492	1.1
164.98517	0.5
169.12248	3.9
197.11781	79.1
198.12119	4.1
209.11798	1.4
225.00681	0.7
227.00241	0.5
230.58896	0.3
235.08231	6.1
236.08691	0.3
253.09305	8.7
254.09579	0.3
259.20670	0.4
277.21735	100.0
278.22055	8.5
279.23264	1.3
415.20065	1.7
417.53671	0.3
433.20746	2.8
434.21045	0.5
513.30530	1.9
693.42505	0.9
785.42322	8.3
786.42719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
60.41285	0.2
61.98705	100.0
69.83235	0.6
69.83616	0.3
71.01287	0.2
78.95786	0.7
80.96416	0.5
82.43236	0.2
88.98672	0.5
96.95903	1.2
96.96856	0.5
125.02371	0.2
127.70518	0.2
151.03984	0.2
177.01813	0.3
209.11806	0.7
210.12189	0.2
227.72220	0.2
289.07074	0.2
336.41016	0.2
400.51068	0.2
554.40979	0.2
560.12177	0.2
786.34387	0.7
787.34015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98408	0.1
62.99110	0.1
70.55940	0.2
70.56281	0.1
74.58990	0.1
80.96395	0.2
100.73223	0.1
154.78014	0.1
169.86421	0.1
207.42073	0.1
209.11804	0.1
210.12234	0.1
278.22244	0.2
358.38062	0.1
537.94629	0.1
787.40021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98404	0.2
62.99129	0.1
69.82336	0.4
100.10144	0.1
110.89315	0.1
125.20366	0.1
209.11807	0.1
210.12172	0.1
263.33292	0.1
277.21860	0.1
381.23465	0.1
421.39124	0.1
760.32556	0.1
787.40112	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	787.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
63.96136	1.5
63.99133	0.9
71.01254	4.9
71.53964	0.6
71.54338	0.7
73.02829	1.3
75.00751	2.1
77.32392	0.5
78.95786	2.3
78.98467	3.6
79.95613	8.1
80.96391	46.1
85.02824	1.7
87.00752	2.1
94.92615	0.5
94.97961	10.6
96.95917	1.0
97.02853	0.9
97.14138	0.5
100.89072	0.5
101.02330	1.7
106.97958	1.6
113.82393	0.6
122.97471	1.8
125.02351	1.8
129.87302	0.5
134.97501	3.5
136.99025	1.2
148.99010	3.7
152.98499	4.4
152.99495	0.6
163.11261	0.7
164.98540	7.1
206.99611	1.8
209.11766	2.2
210.12003	0.7
225.00688	10.5
227.12914	1.0
241.99362	0.6
277.21661	2.4
279.23242	1.9
295.22913	1.6
310.76004	0.6
311.22150	0.9
312.22687	0.6
384.04755	0.6
509.16617	0.7
714.43085	1.3
787.39368	48.2
788.39819	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	787.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.3
61.14880	1.8
61.98714	13.5
65.87756	1.7
66.26955	1.7
69.44429	10.0
71.01254	5.8
73.02813	2.8
75.00729	1.8
80.34743	1.8
83.04905	3.8
89.02316	4.5
96.95892	2.1
97.02856	1.7
101.02306	3.0
111.08041	6.9
113.02363	2.5
161.04538	1.9
163.11191	2.3
165.12758	3.8
169.12222	1.8
171.10155	2.4
185.11833	2.6
191.05547	5.2
197.11772	26.7
198.12029	2.5
199.13269	3.8
209.11797	100.0
210.12012	4.5
211.13324	8.1
227.12865	16.6
235.08107	4.5
235.26817	2.4
253.09312	21.1
259.15378	2.9
262.64865	1.7
291.19681	11.9
302.94208	1.8
307.07263	1.7
309.20718	47.8
310.20984	3.5
341.23166	4.7
445.20804	2.2
459.42981	2.3
545.29871	1.8
658.05682	2.0
787.42261	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	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.3
59.01248	4.9
61.98707	7.6
63.99126	0.7
69.03317	0.8
71.01257	4.4
71.33846	0.5
72.99190	0.3
73.02817	1.2
78.95763	1.8
80.02547	1.0
80.38794	0.3
81.03339	1.4
82.61995	0.4
83.01272	0.6
83.04891	4.5
84.02037	4.1
85.02827	1.1
87.00764	1.3
89.02309	3.7
93.03322	0.5
95.04900	0.9
96.95893	7.7
96.96832	2.6
97.02842	1.6
97.06462	4.1
99.00771	0.5
99.04417	1.1
101.02325	3.9
109.02801	0.3
109.06474	0.9
111.08024	0.4
113.02310	1.6
116.92707	0.5
119.03376	1.1
119.08507	0.3
125.02369	0.5
125.05974	0.4
125.09605	1.5
127.11158	0.6
129.01842	0.7
135.08035	1.0
137.09621	0.8
145.04907	0.6
153.09042	0.3
161.04488	2.1
163.11188	3.7
165.12772	2.6
171.10185	14.2
172.10489	0.6
179.05620	0.4
181.12268	0.6
183.13850	0.8
185.11746	0.4
191.10721	1.0
193.12256	5.3
197.11800	1.0
199.13391	0.6
201.11284	1.0
207.10257	0.8
209.11771	100.0
210.12090	5.7
211.13350	2.7
221.11743	0.5
223.09853	0.4
225.11241	0.9
225.14919	7.9
225.17113	0.4
226.15245	0.7
227.12842	11.6
228.13078	0.6
235.08191	5.6
243.16023	3.6
253.09253	15.4
253.14500	0.9
254.09566	0.7
291.19708	1.4
305.21277	0.4
323.22247	1.1
325.20148	0.9
327.21884	0.8
341.23306	64.8
342.23688	6.1
445.20911	1.5
463.21674	0.6
533.34576	1.9
534.35254	0.5
556.16919	0.3
577.32159	1.1
707.85883	0.4
787.43231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
57.03316	0.4
57.15516	0.3
59.01251	4.8
61.98707	1.8
63.08510	0.3
69.03331	1.2
70.03407	1.1
71.01254	3.9
72.99159	0.3
73.02826	0.7
77.36935	0.3
78.95780	4.9
79.77620	0.3
79.95618	0.7
80.02544	1.6
80.96395	0.3
81.03332	1.5
83.01254	0.5
83.04897	4.6
83.46728	0.3
84.02044	2.7
85.02817	1.4
87.00750	0.7
89.02324	3.3
95.04921	1.1
96.79066	0.3
96.95895	18.7
96.96853	5.9
96.97417	0.5
97.02838	1.1
97.06467	4.7
98.19904	0.3
99.00769	0.5
99.04414	0.9
101.02332	3.8
111.08076	0.3
113.02331	1.9
116.92776	0.4
119.03381	1.1
123.08092	0.3
125.06005	0.5
125.09644	1.3
127.11208	0.3
133.04971	0.4
135.08031	0.7
137.09663	0.3
143.03430	0.4
145.04944	0.5
147.11757	0.4
151.11163	0.3
161.04465	2.1
162.41217	0.3
163.11197	4.2
165.12779	2.3
171.10188	7.3
172.10600	0.6
175.11200	0.7
177.12753	0.3
179.05562	0.4
183.13823	0.4
185.11726	0.6
191.10709	0.8
191.80177	0.3
193.12280	6.6
194.12677	0.3
197.11824	0.6
199.13342	0.5
209.11786	100.0
210.12138	6.0
211.13393	2.1
221.11783	1.0
225.11441	0.5
225.14929	10.2
226.15218	0.7
227.12859	11.7
228.13196	0.6
235.08203	5.7
241.14389	0.5
243.15984	4.1
244.16397	0.4
247.71149	0.4
253.09277	12.7
253.14557	0.9
254.09697	0.6
291.19662	1.3
305.21182	0.3
309.20743	0.6
323.22324	1.4
326.52075	0.3
327.21793	0.4
329.69958	0.3
341.23322	64.9
342.23627	6.7
403.16217	0.3
445.20877	1.3
533.34857	2.1
551.35986	0.4
577.32275	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	788.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98704	100.0
64.25608	0.2
71.01239	0.2
72.74114	0.2
75.85958	0.2
77.92282	0.2
78.95789	0.2
78.98499	0.2
79.95617	0.3
80.96396	2.2
85.02794	0.1
89.22388	0.2
94.97959	0.4
98.20163	1.3
106.97993	0.2
108.01056	0.2
147.72203	0.2
148.99055	0.2
152.98514	0.2
164.98555	0.3
197.11740	0.9
198.12218	0.6
225.00702	0.8
229.59012	0.2
252.04163	0.2
276.08121	0.2
277.21878	0.7
278.22156	0.9
279.22614	0.4
789.40729	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	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18187	0.2
61.98706	100.0
62.98404	0.2
65.25649	0.2
78.95786	0.3
79.95610	0.4
80.96400	2.2
85.02842	0.2
94.87265	0.2
94.97955	0.6
101.56962	0.2
124.52065	0.2
127.66434	0.2
138.68304	0.2
148.99049	0.3
158.46388	0.2
164.98569	0.4
195.73961	0.2
225.00752	0.6
279.23312	0.3
333.51849	0.2
652.23755	0.2
722.19666	0.2
788.39911	0.3
789.40875	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	788.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98497	0.2
61.98705	100.0
62.05501	0.2
66.12299	0.2
68.95116	0.2
71.01256	0.3
71.53675	0.3
78.95770	0.2
78.98460	0.2
79.95618	0.3
80.96389	1.6
81.90893	0.2
94.97981	0.4
97.16383	0.2
106.98026	0.2
134.97450	0.3
164.98581	0.2
225.00760	0.3
225.08301	0.2
272.17316	0.2
279.23386	0.4
498.96951	0.2
789.40692	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	788.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60880	0.6
59.01251	11.2
61.98706	23.3
62.01295	0.6
63.99121	0.7
71.01257	1.1
78.91312	0.7
78.95780	18.3
78.98416	0.7
79.95612	0.9
80.96391	10.8
82.80743	0.6
83.04909	1.9
84.94173	0.6
94.97954	2.0
98.20031	0.8
103.33488	0.8
103.99078	0.7
105.45238	0.8
152.99516	2.0
163.11205	1.4
164.98517	1.9
165.12738	1.3
168.04224	5.1
177.29993	0.8
191.10738	1.0
205.43988	0.7
209.11772	21.9
224.06868	1.5
225.00664	1.6
227.12842	3.5
241.14534	4.2
279.23294	100.0
280.23651	10.8
452.20538	2.6
466.22214	1.3
606.58807	0.7
643.36292	1.3
644.36713	0.9
714.43542	51.2
715.43951	11.1
728.44910	4.7
788.39740	11.3
789.40356	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	789.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04506	3.3
59.87342	3.4
61.98703	29.0
71.01267	5.5
76.74531	3.6
78.95753	4.9
80.96388	4.8
87.00820	3.5
88.98690	16.7
89.02303	3.4
96.95903	11.4
98.20178	24.1
99.35667	3.5
105.27312	3.7
112.36841	3.7
139.70204	3.7
153.66328	3.7
157.88515	4.2
163.11252	4.2
171.10193	4.5
207.10193	4.3
209.11795	100.0
210.12163	6.2
227.12828	26.3
245.19150	4.8
250.17085	3.4
253.09235	12.5
289.18298	21.5
307.19095	19.5
309.20483	4.3
716.20386	3.9
789.37891	34.4
790.38135	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	791.4227
Annotation	Ilekudinoside N
Peak:m/z	Relative Intensity
55.01768	0.4
57.03337	0.4
58.00461	0.4
58.36392	0.3
59.01252	11.1
61.98704	1.1
70.56223	0.5
70.56570	0.7
71.01255	14.4
72.99187	0.7
73.02825	3.6
75.00735	0.3
75.70341	0.4
78.95784	1.1
83.01276	1.3
83.04913	0.4
85.02824	7.2
86.00002	0.7
87.00755	4.3
89.02321	9.3
95.01282	1.8
99.00774	1.1
101.02327	10.2
113.02335	9.1
119.03391	2.6
125.02380	0.5
125.85995	0.3
131.03389	4.7
136.44377	0.3
143.03407	1.3
149.04459	0.4
152.99509	0.4
159.02931	0.8
161.04477	7.0
179.05539	3.5
205.08624	0.4
211.13414	0.4
221.06615	7.0
248.25301	0.3
256.95465	0.3
263.07755	1.8
353.24994	1.8
363.26880	0.6
365.28836	0.4
389.28241	0.6
405.31644	13.4
406.32083	1.9
407.29639	0.5
423.32693	59.1
424.33020	10.3
449.30591	18.7
449.36911	0.7
450.31119	2.5
467.31659	54.9
468.32010	7.6
481.33893	0.5
509.32819	1.7
551.95477	0.4
564.25549	0.4
629.36896	1.0
671.38000	3.4
672.38477	0.4
773.41248	0.6
791.42236	100.0
792.42596	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	70.9
70.91634	18.7
88.29070	7.9
90.92826	8.6
128.05351	8.3
143.77797	9.0
148.92310	8.1
175.75159	8.6
188.52060	9.1
197.65340	8.4
209.11745	87.3
227.12898	19.8
277.21771	100.0
452.93137	9.3
791.42914	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4386
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03334	0.9
58.00453	0.9
59.00952	0.8
59.01254	13.1
61.98701	1.7
64.50383	0.6
69.03334	0.6
69.80781	0.6
71.01260	19.3
71.25024	0.9
72.99187	0.9
73.02832	3.8
79.49393	0.7
83.01250	1.7
85.02834	7.9
87.00780	3.6
89.02322	11.8
95.01283	2.4
99.00759	1.5
101.02342	10.9
113.02342	11.6
119.03362	3.3
119.51458	0.6
125.02327	1.1
128.55240	0.7
131.03403	4.1
143.03365	1.3
159.02948	0.7
161.04456	7.7
167.03218	0.8
179.05550	4.2
221.06627	7.1
226.58900	0.7
263.07703	2.5
289.07205	0.7
323.19022	0.8
384.02457	0.8
407.32986	2.2
425.34277	81.0
426.34671	16.0
451.32245	16.3
452.32382	2.2
469.33270	53.5
470.33658	10.2
483.34842	1.9
511.34241	4.9
512.34711	1.2
673.39594	6.4
674.39954	1.8
793.43829	100.0
794.44220	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	13.3
61.98704	3.1
63.55430	1.0
71.01255	19.1
73.02817	4.0
83.01260	1.8
85.02834	8.2
87.00738	3.2
89.02311	10.9
95.01266	1.6
96.95906	1.1
98.19795	3.5
101.02329	10.4
113.02334	9.8
116.92747	3.8
119.03376	3.2
125.02318	1.6
131.03398	4.4
143.03386	1.8
161.04459	6.0
179.05490	6.0
221.06570	5.9
263.07852	3.1
280.48294	1.1
409.31180	1.4
425.34009	5.6
451.32159	22.3
452.32394	4.4
469.33243	93.8
470.33481	15.8
483.34988	3.7
494.34219	1.3
511.34204	6.4
673.40009	7.3
674.40070	2.1
793.43787	100.0
794.44122	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25118	1.3
57.07917	1.3
59.01235	1.3
71.33955	1.7
96.95889	11.6
107.01297	1.7
108.02098	1.5
151.00296	5.6
155.10716	1.7
163.00317	1.3
167.00081	1.6
178.99858	3.2
191.05527	4.9
199.09790	1.3
223.24797	1.3
227.03551	1.2
243.02924	5.6
243.49342	1.4
255.01010	1.3
255.03030	13.9
271.02454	31.2
272.03018	3.8
273.04175	1.8
276.80844	1.2
300.02747	65.1
301.03452	35.2
302.03790	1.6
433.07748	100.0
434.08258	10.9
441.12115	5.6
572.96423	1.6
601.77576	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	795.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36819	0.2
56.52765	0.2
60.99180	17.0
61.98697	0.8
69.37585	1.2
71.01244	0.6
72.99184	0.6
87.00756	1.2
88.00285	2.8
88.98683	100.0
89.02318	7.6
89.99034	0.9
90.01846	0.2
98.20582	0.4
116.54790	0.2
119.03385	0.2
158.74379	0.2
171.10173	0.3
209.11774	3.9
210.12183	0.4
227.12846	0.6
795.37012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01439	1.2
59.01251	14.4
61.98706	16.9
67.49186	1.1
71.01242	1.9
75.00758	5.9
78.95787	48.8
79.95601	1.6
80.02563	1.5
80.96405	9.0
81.03343	4.0
81.36189	1.2
83.01279	5.9
83.04906	5.8
84.02065	1.6
85.11786	1.3
88.48737	1.4
94.97944	1.4
95.04892	1.7
96.96860	2.2
109.06475	2.4
125.00027	6.0
125.09608	5.8
126.17168	1.7
128.03455	1.6
142.76198	1.3
147.35541	1.7
152.79836	1.2
152.99545	7.7
163.11211	7.5
164.11618	1.6
164.98523	1.9
165.12788	4.1
168.02902	1.4
168.04195	8.2
171.10260	2.2
191.10742	7.0
192.11049	1.3
201.74774	1.4
209.11790	81.3
210.12167	5.4
218.08350	1.3
223.13383	10.4
224.06920	5.7
225.00735	4.1
225.11348	1.5
226.12094	7.7
227.12907	10.6
241.01248	3.4
241.14447	66.7
242.14815	3.3
251.50545	1.6
255.23302	100.0
256.23709	7.4
277.21625	1.6
333.75571	1.4
337.05417	1.5
419.25662	3.9
437.32675	1.5
480.31024	6.6
619.36267	8.9
645.37762	4.8
689.43640	1.6
690.43213	8.9
704.45105	52.4
705.45465	12.1
722.46295	38.8
723.46466	7.4
779.39240	10.9
796.40283	1.7
797.40576	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96110	1.8
67.96509	0.5
69.03324	0.9
70.04701	2.1
71.01257	8.2
71.99905	0.5
73.02818	2.2
78.98454	7.2
79.95605	14.1
80.96391	86.6
81.03323	1.0
81.75510	0.5
85.02814	3.4
87.00754	3.2
94.97962	19.4
95.01305	0.5
96.95909	1.0
97.02858	1.3
99.00702	0.6
101.02354	2.8
106.97962	3.9
121.37589	0.5
122.97493	4.1
125.02338	3.7
134.97484	6.5
136.99043	1.6
148.99054	8.1
152.98550	6.3
164.98557	15.4
165.98863	0.7
184.33246	0.5
206.99637	3.1
209.11754	2.3
225.00700	22.0
226.01019	1.1
255.23268	1.5
301.69885	0.6
455.02786	0.6
509.17221	0.6
537.27350	2.0
541.19568	2.3
765.41315	1.1
797.43597	100.0
798.43878	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	799.4216
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
57.84805	0.7
59.01231	1.0
61.98705	15.7
63.96098	0.8
69.81976	1.5
69.82382	3.1
71.01250	4.4
73.02812	0.8
75.00358	1.3
75.00748	20.2
76.32071	0.6
77.65144	0.6
78.95777	43.4
78.98456	3.5
79.95614	6.1
80.96393	37.1
83.04887	2.5
84.08618	0.6
85.02806	1.0
87.00737	1.3
93.02403	0.7
94.97967	9.6
96.96846	10.0
97.02827	1.1
99.00684	0.7
101.02318	1.4
106.97961	1.5
116.92678	0.9
122.97474	1.1
125.02377	1.1
125.09602	1.9
127.11157	3.2
128.88533	0.8
134.97476	2.6
136.99013	1.2
137.09540	1.0
148.99023	3.1
152.98483	1.9
152.99525	9.1
155.10675	0.8
163.11176	1.6
164.98567	7.8
165.12735	0.8
171.10182	1.6
192.11574	0.8
199.09735	1.5
201.11273	31.7
202.11597	1.4
206.99580	1.7
209.11768	26.2
209.13762	1.3
210.12154	1.9
211.13426	3.4
223.00021	2.8
225.00710	12.9
227.12823	3.0
241.01149	22.3
241.03578	1.3
255.23282	21.2
256.23611	1.7
259.02310	1.6
277.21677	5.8
381.13235	1.2
389.44995	0.7
405.55154	0.7
464.30338	0.8
525.16388	0.9
537.27283	0.9
543.18121	0.7
576.99982	0.8
709.38141	6.7
710.38617	1.9
781.40637	17.7
782.41193	3.2
799.42175	100.0
800.42450	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	799.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01242	1.5
59.35083	0.4
59.96916	0.4
61.98708	0.6
65.89244	0.4
70.80000	1.0
71.01261	2.0
72.99133	0.4
73.02834	0.5
79.05420	0.6
83.04896	1.1
85.02835	0.9
87.04357	0.5
89.02338	1.5
89.90023	0.4
93.03330	0.7
93.06931	0.4
93.70744	0.4
95.04923	1.0
96.95887	1.6
97.02828	3.5
97.06484	0.5
105.07002	0.7
107.04901	0.8
108.05688	2.6
109.02837	2.1
109.06524	0.9
111.04402	3.9
111.08078	0.6
113.02351	0.8
113.05984	3.2
119.03358	0.5
119.04928	0.5
119.08541	1.0
121.02880	0.6
121.06487	0.8
122.03633	4.9
123.04381	0.7
123.08051	3.5
125.02335	0.6
125.04591	0.4
125.05979	4.2
125.09632	1.3
135.08064	1.2
136.05206	4.4
137.05978	2.5
137.09608	0.5
138.06770	7.3
139.03957	0.5
139.07550	12.2
140.07846	0.4
148.05222	2.5
149.05942	1.1
151.03937	0.5
151.07562	23.8
152.04712	2.5
152.08350	11.4
153.09119	4.5
155.10657	0.5
159.11714	1.1
161.09616	1.7
163.07542	3.3
167.07048	1.6
170.05740	0.9
171.10182	1.1
175.07462	0.5
179.05545	0.7
185.09671	0.5
186.10466	0.6
189.09148	1.1
201.11212	0.8
201.12798	7.5
202.13066	0.5
203.10730	4.5
204.11494	14.9
205.11784	1.0
209.11726	1.5
215.12778	0.5
219.10666	0.5
219.13863	23.4
220.14189	1.9
263.12875	30.0
264.13214	2.7
325.23819	0.6
343.24881	3.2
355.24933	4.2
356.25748	0.4
371.24481	0.9
372.24673	1.3
373.25937	100.0
374.26248	9.2
415.26974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68903	0.3
59.01251	20.3
69.03318	0.4
69.82697	1.6
71.01256	3.9
71.91042	0.3
73.02815	0.8
76.01457	0.3
79.95596	0.5
80.96394	2.3
82.96011	0.5
84.86668	0.3
85.02822	1.0
87.00747	0.7
89.02338	2.7
94.98001	0.4
101.02306	2.7
113.02322	1.1
115.13303	0.4
115.48915	0.4
119.03387	0.5
121.32400	0.3
124.12427	0.3
133.04971	0.4
143.03445	0.4
145.04962	0.3
161.04448	1.0
164.98524	0.4
167.14331	0.5
179.05412	0.4
183.13824	5.9
184.14250	0.6
193.12253	1.6
211.13339	100.0
212.13687	5.3
225.00687	0.8
229.18950	0.3
233.22783	0.5
235.00623	0.4
235.08189	4.1
253.06693	0.6
253.09280	8.1
277.21716	92.8
278.22070	7.7
312.44513	0.3
346.33713	0.4
429.21194	2.2
430.21506	0.4
447.16672	0.6
447.22372	5.9
448.22400	0.4
513.30756	1.6
531.20331	0.4
707.44043	0.6
781.40106	0.6
799.42401	1.9
800.43036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21724	0.1
61.98702	100.0
62.98400	0.2
98.19776	0.2
112.75779	0.1
136.26125	0.1
196.68077	0.1
235.40256	0.1
384.78513	0.1
586.25311	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	801.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43634	0.9
59.01252	2.5
61.40332	0.8
63.02261	6.9
65.00198	8.5
67.01766	1.7
69.80767	0.9
73.02805	1.2
83.01248	6.7
83.02359	0.9
83.04894	1.7
85.02826	8.5
87.00748	3.9
88.98701	0.9
93.03342	14.6
95.01273	1.7
96.75106	0.8
101.02316	1.5
102.18307	0.8
107.01275	16.1
111.04386	2.9
121.02853	3.0
122.02404	1.8
122.03429	2.2
123.00755	3.0
125.02331	2.6
125.42746	0.9
127.03905	1.9
132.42017	1.0
135.04408	2.8
151.00279	52.9
152.00635	2.0
155.03383	1.7
156.22002	0.9
163.07556	10.7
169.01320	9.1
173.04456	4.9
177.01865	1.7
177.05597	0.8
178.99785	42.8
179.03346	1.3
180.00151	1.0
183.04446	1.4
191.05542	54.9
193.01373	2.3
209.48396	1.0
211.03976	4.7
213.05536	1.8
214.66937	0.9
219.03020	1.8
223.03885	1.9
227.03471	2.2
229.04965	6.9
239.03461	12.8
240.03941	1.3
241.05043	3.7
243.02963	1.3
251.03525	2.1
255.03049	2.2
267.02985	21.0
268.03372	2.0
271.02567	3.0
293.01001	1.2
295.02448	3.1
296.03159	1.0
300.02701	5.4
301.03305	4.3
317.04694	1.3
329.04538	1.4
331.06012	1.0
345.04126	3.3
353.08685	2.9
357.03946	2.0
365.06638	1.4
373.03497	3.8
375.05099	9.0
376.05612	1.5
385.03589	2.3
391.04474	2.8
393.06262	5.3
401.03067	19.2
402.03458	2.7
403.04623	8.5
418.02991	1.1
419.04160	12.2
420.04605	1.4
421.05396	6.5
429.02524	13.2
430.02957	1.9
447.03458	8.0
447.09335	10.2
448.03629	1.4
465.04645	8.3
466.05460	1.0
609.08179	5.0
639.09906	100.0
640.10242	16.1
681.11011	2.2
719.24603	1.0
801.15204	18.9
801.31738	12.6
802.15472	3.7
802.31049	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	801.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42488	0.6
59.01245	2.5
61.98704	17.4
63.96091	1.7
65.20454	0.6
65.72541	0.6
66.91141	0.7
69.03333	0.9
70.40642	2.1
71.01255	9.5
73.02829	1.9
77.34214	0.5
78.95773	6.2
78.98460	8.3
79.95608	15.0
80.96392	89.0
81.03323	1.6
83.01276	1.2
83.04892	1.9
85.02822	3.8
87.00767	3.3
87.03117	0.7
88.98653	0.8
94.91830	0.6
94.97961	22.0
96.95886	2.2
97.02820	1.6
99.00742	1.0
101.02316	2.7
106.98004	3.6
122.97502	4.2
125.02328	5.4
127.03899	1.3
134.97476	5.3
136.99040	1.9
148.99037	7.4
152.98521	6.8
152.99419	0.9
161.04469	0.7
163.11195	1.1
164.98560	14.8
165.12772	1.2
167.00066	1.0
167.03362	1.0
168.04228	0.6
178.09663	0.7
206.99635	3.5
209.11769	21.4
210.12164	6.6
211.13356	0.8
225.00702	28.3
227.12816	2.0
228.26448	0.7
241.14453	3.2
254.99777	0.6
342.08533	0.7
397.13416	0.7
486.01355	0.7
509.17398	1.0
541.19452	4.5
542.20319	0.8
591.25519	2.0
592.26147	2.7
658.32935	1.0
659.33789	1.4
677.35352	3.5
714.20538	0.7
727.38910	1.6
769.33289	1.4
783.36627	0.9
801.35828	100.0
802.36133	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	801.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.4
58.00475	2.9
59.01255	66.4
61.98704	85.8
64.95706	2.6
69.03323	6.5
71.00890	4.6
71.01260	58.1
71.54449	3.5
72.74410	3.1
72.99176	6.3
73.02819	9.4
78.95767	5.5
79.61359	2.7
81.03320	4.9
83.01241	6.2
83.04906	12.6
85.02834	13.7
85.06483	3.7
87.00747	15.3
89.02325	47.1
95.01247	5.1
95.04915	4.0
96.95894	16.3
96.96845	3.6
97.02840	8.9
97.06473	5.4
99.00747	3.9
101.01772	3.8
101.02339	37.7
107.04935	3.3
109.06413	2.7
111.04373	3.3
111.08038	7.2
113.02332	19.9
119.03388	7.6
123.08056	2.9
125.02322	12.4
125.09588	19.5
126.68375	2.4
128.03426	3.0
131.03436	3.2
137.09615	3.6
143.03432	3.6
151.11298	2.8
161.04440	6.3
162.24991	2.5
165.12758	2.9
171.10193	55.1
172.10500	4.4
179.05556	15.7
205.15967	4.8
209.11801	31.5
210.12148	4.0
211.13344	35.8
215.14377	7.1
221.06587	8.6
221.15521	3.4
231.13898	7.2
233.15422	54.3
235.08368	5.7
249.14969	30.8
250.15144	3.2
251.16483	3.9
263.07629	3.1
331.26389	4.1
341.24652	5.9
359.25995	4.2
367.22458	4.0
375.25308	4.3
379.12552	4.9
385.23816	21.4
393.26416	3.8
397.13504	31.9
403.24896	41.4
404.25073	6.3
415.14410	7.4
421.25980	26.7
422.25931	4.2
629.28412	4.0
675.63794	3.1
783.38055	100.0
784.38354	21.6
801.39178	90.9
802.39111	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.0
59.01254	68.6
61.98706	92.8
62.80406	3.2
67.07832	3.6
69.03321	7.3
69.48637	15.1
71.01260	51.6
72.99173	5.4
73.02821	9.3
78.95761	5.8
81.03346	4.1
83.01278	7.6
83.04896	8.3
85.02836	11.6
87.00748	13.1
89.02328	44.3
95.01254	4.5
96.05367	2.9
96.95890	17.0
96.96806	3.6
97.02842	8.5
97.06463	6.7
98.19787	3.6
99.00749	4.1
101.02332	38.6
106.00359	3.1
109.06480	4.3
111.08024	6.8
113.02326	21.5
118.48724	3.4
119.03389	9.5
119.04987	3.7
123.08030	3.5
125.02343	13.2
125.06102	3.5
125.09622	20.7
137.09665	4.3
143.03410	9.0
161.04451	9.0
171.10185	56.4
171.11641	5.5
179.05566	16.5
191.05505	3.4
205.15987	4.4
209.11754	33.1
211.13319	34.6
215.14357	10.0
221.06627	7.7
231.13969	3.5
233.15410	50.9
234.15791	5.7
235.08110	8.1
247.13307	3.0
249.14871	29.5
250.15326	3.6
279.57529	3.2
341.25110	7.6
359.26105	4.7
367.22296	3.6
375.25284	5.6
379.12173	8.4
385.24060	17.2
397.13556	32.7
403.24951	52.1
404.25217	6.7
414.96490	3.5
415.14453	5.8
421.25858	30.0
422.26364	3.8
773.38837	3.8
783.38129	87.6
784.38867	23.1
801.39227	100.0
802.39166	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	801.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.9
61.98704	100.0
63.99123	0.8
71.01278	0.7
75.00758	0.4
77.31968	0.4
78.95741	0.4
83.04924	0.6
89.02333	0.6
98.19780	1.2
98.20509	1.5
110.79912	0.4
113.02292	0.4
125.09617	0.4
201.11266	4.5
209.11772	9.7
210.12151	0.6
227.12904	1.3
235.08301	1.1
253.09360	1.4
277.21710	11.6
278.22235	1.1
513.30939	0.5
562.08936	0.5
739.43103	1.3
801.39374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87410	0.1
58.89885	0.1
59.01217	0.1
61.98703	100.0
62.91005	0.1
62.98405	0.2
71.01271	0.1
75.00757	0.1
78.87592	0.1
80.96401	0.3
91.35401	0.1
96.25182	0.1
98.20183	0.4
101.02357	0.1
101.95810	0.1
104.27183	0.1
125.02354	0.2
139.30386	0.1
151.04056	0.1
164.98607	0.1
167.03418	0.1
177.01942	0.1
209.11743	0.2
273.16962	0.1
370.54828	0.1
405.04761	0.1
638.27478	0.1
802.48981	0.1
803.37903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.1
61.98710	100.0
62.98409	0.2
70.45390	0.2
70.45744	0.1
78.95808	0.1
79.95631	0.2
80.96399	0.4
94.98017	0.1
96.95914	0.2
97.32745	0.1
141.35074	0.1
144.07338	0.1
208.34276	0.1
209.11800	0.1
211.02449	0.1
247.09563	0.1
277.22003	0.2
529.76257	0.1
803.39209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55639	0.1
58.11603	0.1
61.98701	100.0
62.98391	0.2
69.43571	0.7
71.01258	0.1
79.95625	0.4
80.96380	0.8
96.95901	0.3
98.19824	0.2
121.29623	0.1
180.68988	0.1
199.94740	0.1
209.11879	0.2
225.11299	0.2
252.16255	0.1
277.21786	0.2
496.13992	0.1
785.37860	0.2
803.38879	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	802.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09674	0.1
59.01252	0.5
61.98705	100.0
62.98407	0.2
70.55228	0.4
78.95753	0.1
80.96391	0.6
83.67545	0.1
90.72530	0.1
94.56432	0.1
97.10547	0.1
102.06669	0.1
123.77752	0.1
171.10219	0.1
211.13341	0.8
211.86909	0.1
212.13710	0.5
213.13914	0.1
253.09534	0.2
277.21701	1.2
278.22119	0.9
279.22818	0.5
279.78867	0.1
289.18195	0.5
309.38763	0.1
802.52136	0.2
803.42505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
61.98705	4.3
63.99115	0.2
71.01257	0.2
71.54160	0.2
71.54612	0.2
75.08309	0.2
78.95778	22.0
79.95610	3.3
85.02840	0.4
87.00713	0.2
88.30579	0.2
96.95902	100.0
96.96848	29.7
97.95812	0.2
98.02357	0.7
101.02307	0.4
109.88768	0.2
129.01848	0.3
177.09084	0.2
189.56871	0.2
195.10188	0.6
209.11781	2.8
227.12810	0.6
238.63858	0.2
253.09181	0.3
278.69562	0.2
282.98026	0.2
397.13248	0.4
484.09955	0.2
687.31482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98408	0.2
63.99128	0.1
66.72903	0.1
69.81884	0.2
69.82276	0.2
71.01265	0.1
78.95786	0.1
80.96402	0.3
85.48303	0.1
98.17157	0.1
101.83241	0.1
277.21912	0.2
385.63712	0.1
745.14740	0.1
804.40289	0.2
805.40503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	1.0
58.00483	1.0
59.01257	18.3
61.98720	1.3
64.77132	0.4
69.03357	1.4
69.82455	1.2
69.82873	1.0
71.01263	17.1
72.98864	0.4
72.99216	1.7
73.02837	2.2
74.11548	0.4
74.33708	0.4
75.00773	0.5
78.95809	1.9
79.95627	0.4
80.02585	1.3
81.03355	2.0
83.01279	1.9
83.02417	0.5
83.04906	5.8
83.05359	0.4
84.02071	1.5
85.02826	3.7
86.13213	0.3
87.00760	5.2
89.02326	14.2
91.03955	0.4
95.01302	1.0
95.04910	0.8
96.95894	6.5
96.96886	1.6
97.02844	2.1
97.06432	0.4
98.95518	0.5
99.00806	1.1
99.04403	0.4
99.39505	0.4
101.02333	12.9
104.53671	0.4
109.02827	0.5
109.06538	0.4
111.04437	0.9
113.02350	7.4
116.92731	0.7
119.03394	3.8
125.02354	7.1
125.06020	0.7
125.09675	0.6
131.03421	0.6
135.08101	0.9
139.03944	0.7
139.93820	0.4
141.01855	0.4
143.03384	3.3
146.92960	0.4
153.09262	0.4
153.12772	1.5
161.04466	3.0
163.11227	4.1
165.12776	2.1
167.03458	0.4
168.37566	0.4
169.12277	6.2
171.10248	0.5
179.05562	4.4
179.10652	0.5
181.12274	0.7
189.45180	0.4
191.10715	1.2
197.11787	88.3
198.12144	5.3
199.13365	1.2
201.11278	1.2
209.11792	100.0
210.12108	5.7
211.13353	1.2
217.07016	0.6
221.06644	1.4
223.13353	0.8
227.12866	16.9
228.13150	1.1
235.08240	5.1
235.13376	1.0
239.12767	0.5
251.12778	0.5
253.09227	1.0
263.07645	0.8
287.07654	1.6
305.08807	1.5
323.09799	1.1
329.52875	0.4
357.41306	0.4
379.12552	5.1
397.13544	37.5
398.13846	3.1
407.24268	0.5
415.14606	10.6
416.14792	0.6
548.58392	0.5
577.24591	1.8
595.26086	3.1
607.25848	1.8
673.55310	0.6
723.27234	0.5
769.36444	1.0
787.37018	1.3
805.36963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.6
59.01501	1.5
61.98702	7.5
71.01256	8.5
72.99171	2.3
78.95783	4.0
79.95601	1.9
83.01257	2.1
83.04908	5.2
85.02840	4.6
87.00739	4.4
89.02302	8.6
95.04902	2.7
96.95895	23.1
96.96832	3.5
97.02844	1.8
97.06468	2.7
101.02300	9.0
108.57578	1.6
113.02341	5.0
116.92760	3.3
125.02338	2.2
137.02422	1.6
161.04512	2.3
163.11139	4.1
165.12764	4.0
169.12253	4.9
171.10178	12.9
185.11765	1.8
193.12256	1.8
197.11766	19.4
199.13327	4.5
201.11327	8.6
209.11765	100.0
210.12115	8.5
211.13309	12.5
221.11681	2.3
225.14917	1.9
227.12825	19.4
229.14366	6.0
235.08191	10.4
253.09248	20.2
291.19696	3.0
309.20639	5.5
327.21753	42.2
328.22064	6.1
341.23267	13.4
355.66943	1.7
397.13409	5.4
496.72519	1.9
545.29639	2.9
563.30688	2.7
607.25983	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	805.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
58.28952	0.2
59.01252	2.6
61.98712	3.7
69.03328	0.2
71.01260	2.5
71.20703	0.5
73.02847	0.2
78.95762	0.2
79.95606	0.3
80.96395	1.5
83.01277	0.3
83.04903	0.3
85.02843	0.8
87.00771	0.6
89.02328	1.7
94.97978	0.5
95.01227	0.3
95.04945	0.2
97.02841	0.3
101.02338	1.9
111.08044	0.3
113.02357	1.5
119.03390	0.7
141.09209	0.2
143.03441	0.3
150.89812	0.2
161.04466	1.6
164.98582	0.3
171.10167	0.5
179.05550	0.6
179.10707	0.3
179.14297	0.6
195.13858	8.0
196.14375	0.7
205.12276	0.7
205.15950	0.4
211.13385	0.7
223.13379	5.7
224.13835	0.3
225.00687	0.4
225.40001	0.2
228.13577	0.8
235.08179	0.6
251.16277	0.2
253.09290	16.6
254.09669	0.8
256.13126	1.1
265.21741	0.4
275.20184	5.5
276.20630	0.7
277.21753	1.0
291.19843	0.5
293.21255	100.0
294.21597	10.1
294.24203	0.2
309.20773	1.1
325.74255	0.2
492.21945	0.5
521.74725	0.2
529.30048	0.8
569.42188	1.5
570.42719	0.5
787.39386	0.3
805.41064	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	807.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.1
59.01247	27.3
61.98711	20.0
71.01254	37.8
72.99178	2.9
73.02822	9.0
78.95784	9.1
80.96082	2.4
85.02833	12.0
87.00745	7.1
88.98715	2.7
89.02322	22.5
96.95930	2.7
98.20184	18.2
98.20722	2.1
99.00729	2.8
101.02318	19.6
102.30643	2.5
106.62491	2.2
111.08026	10.2
113.02338	14.7
116.92755	3.7
119.03394	8.1
131.03391	11.5
161.04425	12.1
179.05545	9.4
209.11790	7.3
221.06644	13.8
243.36032	2.6
255.32980	2.4
263.07593	5.3
309.22156	3.9
327.23056	5.5
369.24432	7.9
421.31604	3.7
439.32193	63.3
440.32452	7.5
465.29959	5.1
468.55606	2.5
483.31241	42.4
484.31219	5.4
807.41681	100.0
808.42029	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98482	9.3
61.98713	100.0
66.63010	9.8
71.01248	13.0
78.95785	21.7
80.96382	18.3
85.58549	12.6
86.50777	10.9
87.32582	14.0
125.02377	17.9
177.01886	22.1
209.11761	93.5
227.12804	23.6
233.50229	12.1
248.62390	11.4
293.21243	44.4
305.92795	12.2
538.20709	11.5
790.91272	14.4
807.42340	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	2.2
69.52048	2.8
71.01273	0.7
72.01632	0.5
72.92725	0.4
93.03342	3.9
95.01267	0.8
95.04916	0.5
96.95919	0.7
105.03422	0.6
108.02058	1.0
109.02847	1.6
116.92748	1.6
121.02845	7.2
122.03632	17.8
123.00739	1.2
123.04415	1.3
124.01614	0.7
132.02092	0.8
133.02856	2.0
134.03625	2.9
135.04449	1.4
136.01561	8.5
137.02364	5.6
139.03865	0.6
145.02812	0.5
146.03645	2.1
147.04388	1.0
149.02348	31.7
149.05960	2.3
150.03131	100.0
151.00308	2.4
151.03929	20.2
152.01038	0.8
152.04553	1.6
153.01891	0.9
153.05399	0.8
161.02336	0.8
161.06038	0.7
162.03152	1.4
163.03943	0.9
164.04691	6.5
165.01804	2.1
165.05487	92.2
166.02625	6.7
166.05835	3.9
167.03397	1.6
175.03923	0.9
177.01892	1.1
177.05490	2.6
179.03473	1.3
179.07076	8.6
180.04216	6.2
181.04993	9.8
182.05243	0.5
184.03677	0.9
185.41827	0.6
187.03963	0.7
193.04990	1.0
195.06561	52.9
196.06873	2.5
204.04272	0.5
205.04968	1.6
207.06586	0.8
210.28514	0.4
219.06543	1.5
220.07288	1.1
225.07535	0.7
282.05286	0.7
314.07990	0.5
315.08911	0.8
329.10208	1.0
343.11606	0.6
357.09592	0.7
357.13608	1.1
373.12930	3.8
387.10654	0.8
387.14618	5.4
402.13138	0.7
403.14014	1.4
416.14471	0.8
417.15497	8.9
418.15652	1.2
421.14972	0.8
535.15588	1.2
550.18878	0.7
564.19843	1.3
565.20795	21.1
566.21014	2.7
595.21411	2.0
596.21210	0.6
613.22888	4.8
614.23267	1.1
619.21936	1.2
667.23761	1.1
713.25928	7.4
714.25934	1.5
725.26257	1.1
743.26978	3.5
744.26343	0.5
761.27960	1.9
791.28381	0.8
809.29767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.2
61.98698	2.0
63.22944	0.9
71.01254	1.2
71.54569	1.0
75.00718	1.0
77.59039	0.8
78.95745	1.1
80.97845	0.9
81.55624	1.0
88.98685	1.3
89.02299	1.3
93.03362	4.5
96.95882	2.6
109.02846	1.1
113.02304	0.9
116.92731	5.0
119.94501	0.9
120.70966	1.0
121.02847	5.0
122.03624	14.5
125.02397	1.3
129.01801	1.4
133.02806	1.4
136.01517	6.7
137.02361	3.2
149.02359	24.3
149.05981	1.3
150.03137	97.9
151.00296	1.9
151.03911	13.2
162.03163	1.0
164.04703	3.8
165.01837	4.6
165.05489	100.0
166.02646	6.0
166.05823	4.9
179.03404	1.3
179.07007	4.9
180.04189	9.8
181.05002	7.2
184.78162	0.8
195.06563	77.5
196.06892	3.8
205.04880	1.6
209.11908	1.7
215.98787	0.8
220.07405	1.3
225.07655	2.3
253.96617	0.9
298.96002	0.9
357.09631	1.5
357.13583	1.5
360.85947	0.9
372.12308	1.0
373.12912	3.2
387.10352	1.0
387.14575	7.4
388.14951	0.9
398.30884	1.0
403.14362	1.0
417.15445	7.3
427.78098	1.1
517.54840	1.0
565.13281	1.3
565.20825	12.3
566.20673	1.8
595.22192	1.7
613.22778	4.7
713.26257	1.4
761.27838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
59.01255	22.3
61.98705	17.1
62.97563	0.9
69.03330	3.2
71.01256	4.9
71.34400	1.3
73.02820	1.4
79.90548	0.8
81.03320	1.1
82.72888	0.9
83.01275	1.2
83.04907	1.3
85.02847	1.1
87.00758	2.1
89.02328	3.6
95.01294	1.3
97.02873	1.0
97.06480	2.9
100.68623	0.9
101.02332	3.9
109.06497	1.7
113.02318	2.7
123.04405	1.3
123.08052	1.9
125.09584	4.8
135.08069	1.4
137.09634	1.9
161.04362	2.0
163.11206	3.5
167.10701	2.9
168.35266	1.1
179.10672	2.6
179.14357	3.5
185.11740	4.9
191.10709	0.9
191.14359	4.3
191.17255	0.9
193.31812	0.9
195.13828	12.1
199.49510	0.9
205.12291	10.0
207.10245	1.7
209.11780	10.1
223.13350	100.0
224.13708	6.2
224.62408	1.0
225.11322	1.3
225.25163	1.0
235.08255	4.4
237.11226	1.1
245.19026	6.8
245.23286	1.3
253.09277	9.1
263.20114	2.7
271.17142	1.5
277.21658	2.6
289.18115	36.9
290.18427	2.9
307.19174	34.1
308.19519	2.8
397.23843	1.2
415.24622	1.3
433.25937	1.0
459.22409	10.1
460.22757	1.3
492.82013	1.0
495.31317	1.9
513.32190	2.1
633.33057	5.7
634.32568	1.2
651.33069	1.1
713.39105	1.7
731.40765	1.2
749.40863	3.0
818.20685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
60.99179	18.7
61.98700	0.5
70.66906	0.6
72.99152	0.5
78.95779	0.3
87.00752	2.7
88.00285	3.6
88.98680	100.0
89.02318	18.1
89.99001	0.8
90.02686	0.3
98.20168	0.5
207.10249	0.4
209.11763	3.4
210.12112	0.4
264.20163	0.3
277.21658	2.2
278.22165	0.3
291.56726	0.3
714.21375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
60.99178	18.7
61.98708	0.5
63.37836	0.3
66.08267	0.3
71.01245	0.4
78.95787	0.4
80.96362	0.3
87.00756	3.2
88.00287	3.4
88.98679	100.0
89.02316	17.6
89.99028	0.9
123.62856	0.3
209.11714	1.7
227.12825	0.4
255.23372	0.3
277.21707	3.0
281.17416	0.3
521.06482	0.3
648.25397	0.3
795.39832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54754	0.8
59.01261	5.0
61.98704	9.3
62.34180	0.9
70.24618	0.7
70.92020	1.4
70.92364	1.2
71.01260	5.1
80.02533	2.1
80.96392	1.1
81.03321	2.4
83.01256	1.2
83.04898	4.7
84.02030	0.8
85.02824	1.5
87.00751	1.0
89.02301	2.2
90.64086	0.9
95.04888	2.4
97.02829	1.6
97.06474	1.7
101.02308	3.6
109.06448	3.2
113.02337	1.6
119.03359	1.1
119.42582	1.1
123.04424	1.5
125.09584	3.3
135.08067	2.0
137.09604	1.1
146.63280	0.8
157.68384	0.9
161.04474	1.4
163.11163	7.8
165.12766	2.5
181.12244	1.1
185.11734	2.6
191.10667	1.5
191.14362	3.2
197.11734	2.6
207.10223	7.9
209.11780	100.0
210.12132	5.8
211.13315	3.3
225.11261	4.0
227.12868	13.6
228.13138	1.3
235.08141	2.3
237.11307	1.2
241.74533	0.9
241.90877	0.9
245.19080	6.6
253.09244	12.0
263.20154	1.9
289.18097	32.1
290.18484	2.5
307.19150	26.4
307.22607	1.6
308.19363	3.6
309.20673	3.0
453.99466	1.0
521.19556	0.9
532.00159	0.9
685.81055	1.0
735.39496	1.6
753.40265	3.5
754.40460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86353	1.0
58.09549	0.9
59.01258	7.8
60.90307	1.0
61.98704	100.0
69.03320	0.9
70.68614	1.9
70.68939	1.3
71.01258	2.9
73.38168	1.1
75.00740	1.8
80.02552	1.8
81.03319	2.1
83.04909	3.6
85.02830	1.1
87.21562	1.1
89.02322	2.3
94.85621	1.1
97.02859	1.2
97.06425	1.6
98.20020	1.2
101.02343	2.6
113.02380	1.8
114.06921	1.0
123.04439	1.5
125.09595	1.2
135.67911	1.0
152.31578	1.1
163.11176	5.7
165.12782	2.4
167.10680	1.2
181.12277	2.7
185.11787	1.8
197.11725	1.9
207.10242	2.1
209.11777	88.5
210.12149	5.0
211.13336	2.2
222.51064	1.0
225.11362	2.1
227.12849	11.8
235.08115	2.6
245.19086	3.8
253.09224	7.0
263.20200	1.5
289.18085	17.7
290.18329	2.4
300.59604	1.0
305.17651	1.3
307.19168	19.5
308.19479	3.4
309.20868	1.2
379.62833	1.3
426.51337	1.1
445.20731	3.1
463.20474	1.2
543.28101	1.4
566.62561	1.2
567.14612	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	813.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42237	2.6
69.42645	1.8
71.01248	0.8
78.95776	74.9
80.02526	2.2
80.96380	3.5
81.03326	1.7
81.22323	0.7
83.04897	7.9
84.02003	1.2
89.95033	0.8
96.96841	17.5
97.06435	0.9
97.24387	0.7
102.09013	0.6
109.06451	0.9
135.08078	1.3
152.99503	17.7
163.11212	5.6
165.12744	3.4
166.46530	0.7
181.12230	1.3
191.10733	1.3
209.11769	77.0
210.12125	5.3
223.00078	3.6
227.12903	5.4
229.00732	0.7
241.01163	35.5
242.01459	1.5
253.21762	0.8
255.23271	49.9
256.23596	4.5
259.02222	2.7
297.03839	1.7
363.12030	1.0
391.22281	3.3
395.14490	1.2
553.27478	2.2
709.38409	2.3
717.25897	0.8
781.41376	7.2
782.42596	1.4
813.44049	100.0
814.44318	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.2
61.98705	100.0
62.98402	0.1
69.40236	0.1
70.39864	0.1
71.54566	0.2
75.00737	0.6
80.96411	0.3
81.46624	0.1
99.71404	0.1
157.20193	0.1
197.11807	0.4
209.11951	0.3
225.11459	0.1
307.19516	0.2
436.51047	0.1
815.49542	0.2
830.22144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98705	100.0
62.98404	0.2
71.09110	0.3
75.00756	0.8
78.87660	0.1
79.95603	0.2
80.96413	0.4
88.98711	0.3
111.21815	0.2
124.92536	0.1
153.78377	0.2
173.04399	0.2
197.11797	0.4
209.11848	0.2
223.13350	0.2
237.74179	0.2
305.22534	0.2
536.54309	0.2
815.50140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.2
60.80409	0.6
61.98687	1.0
65.64981	0.6
71.01259	3.0
71.02026	0.7
71.02353	1.4
73.02822	1.1
73.77571	0.7
78.95769	2.4
81.03314	1.4
83.01292	0.9
83.04921	3.4
85.02848	0.6
89.02319	2.6
95.04900	0.8
98.20226	1.1
99.47897	0.7
101.02319	3.2
113.02312	0.9
142.57964	0.7
163.11177	3.2
165.12801	2.1
209.11777	100.0
210.12099	6.0
214.26498	0.7
227.12840	10.7
228.13205	0.8
235.08165	4.1
241.01414	0.8
253.09248	8.0
277.21719	81.5
278.22025	8.0
406.05548	0.9
424.67596	0.7
445.20755	1.7
797.40601	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	815.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
58.74632	0.3
59.01254	2.1
63.96096	2.0
69.03330	1.0
70.53793	0.9
71.01254	10.3
72.99173	0.4
73.02806	2.8
76.68085	0.4
78.98466	8.7
79.95609	17.6
80.96394	100.0
81.03334	0.9
83.01246	0.4
85.02826	3.8
87.00748	4.5
94.97965	22.2
95.01260	0.6
96.95869	1.9
97.02834	2.2
98.19786	0.5
99.00756	0.6
99.04391	0.7
101.02325	2.4
106.97958	3.7
113.02355	0.5
122.97482	3.9
125.02338	3.6
127.03912	0.8
134.97481	6.8
136.99001	2.1
146.97490	0.7
148.99054	8.5
150.96979	0.7
152.98558	7.2
164.98557	15.1
167.00175	0.6
178.77437	0.3
197.72823	0.4
206.99594	3.2
225.00705	23.1
226.01036	0.6
255.23317	2.4
277.21875	1.2
283.04913	0.7
286.67615	0.3
363.27005	0.4
378.78781	0.4
393.29288	0.4
521.07074	0.5
537.27417	1.4
559.25476	2.1
815.49847	88.9
816.50171	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
57.29523	0.1
59.01251	0.6
61.98703	100.0
62.98405	0.2
63.99144	0.2
64.33009	0.1
65.60800	0.1
67.36012	0.1
69.35460	1.1
71.01267	0.3
72.69577	0.2
75.00748	0.3
78.98473	0.2
79.95626	0.3
80.96395	1.3
83.01237	0.1
87.47560	0.1
94.97991	0.2
98.20052	0.5
123.00762	0.3
125.02335	1.5
126.46375	0.1
137.02351	0.3
139.03893	0.1
161.27917	0.2
164.98654	0.2
165.01945	0.2
167.03410	0.8
177.01884	0.7
197.11867	0.2
209.11835	0.4
211.04042	0.2
216.65141	0.1
225.00790	0.3
255.02774	0.2
305.06711	0.4
309.20819	0.2
348.86035	0.1
370.51993	0.1
389.14554	0.1
423.07523	0.2
815.50299	0.3
816.51398	0.7
817.51965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
61.98705	100.0
62.98398	0.2
71.01230	0.1
75.00720	0.1
79.95610	0.1
80.96387	1.0
91.00216	0.1
94.97997	0.2
101.02354	0.1
122.11405	0.1
125.02357	0.2
137.50111	0.1
137.99474	0.1
148.88066	0.1
148.99052	0.1
164.98587	0.1
197.11771	0.2
209.11790	0.3
210.12267	0.1
225.00702	0.2
318.00797	0.1
349.13980	0.1
385.62238	0.1
465.13998	0.1
683.78864	0.1
685.84631	0.1
720.38373	0.1
815.50769	0.3
816.50122	0.9
817.37073	0.1
817.50452	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	817.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.1
60.91330	0.8
65.00175	0.8
71.01260	1.3
71.53883	0.8
71.54273	0.9
72.77746	0.7
75.24317	0.7
81.03355	0.7
85.02827	6.1
87.00733	2.1
93.03339	3.0
96.95943	0.9
107.01259	2.6
109.02821	2.1
111.04397	1.0
121.02847	1.2
133.02834	1.5
133.69231	0.8
135.04399	2.0
151.00284	9.5
161.02328	3.1
163.00328	2.1
169.01132	1.1
173.04472	1.6
178.99765	5.2
179.03362	1.4
181.02988	0.8
191.05542	100.0
192.05922	3.1
227.03426	1.4
229.05096	0.8
243.03041	3.8
245.04410	1.2
254.02365	0.9
255.02983	12.9
268.27301	0.8
271.02472	25.5
272.02893	2.7
299.01923	1.2
300.02744	63.6
301.03488	35.7
302.03833	2.2
353.08798	11.4
463.08832	79.9
464.09125	8.8
817.18280	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	817.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
59.20501	0.5
63.02257	0.7
65.00201	1.2
67.01775	0.7
83.01277	0.9
85.02832	6.4
87.00740	1.8
93.03334	3.2
96.83841	0.5
96.95857	0.9
99.70397	0.5
107.01244	2.9
108.02041	0.7
109.02840	2.3
111.04391	0.6
113.02312	0.7
121.02854	1.8
124.01681	0.6
125.02370	0.8
127.03890	1.6
127.39092	0.6
133.02872	1.3
135.04424	4.4
147.73645	0.6
151.00281	10.3
152.00627	0.5
161.02354	3.6
163.00267	1.3
169.01311	1.0
173.04471	1.6
178.99786	5.1
179.03424	3.4
191.05539	100.0
192.05847	3.3
193.01433	0.6
195.35254	0.6
201.05455	0.6
211.03886	0.5
226.02733	0.9
227.03503	0.9
243.02971	3.9
244.03345	1.0
245.04697	0.9
254.02217	1.5
255.02957	12.6
256.03323	0.8
271.02478	25.2
272.02914	2.3
273.04153	0.9
283.02643	0.8
299.02084	0.7
300.02747	51.9
301.03503	32.9
302.03903	2.0
316.02090	1.1
334.41507	0.5
353.08743	15.4
354.09134	1.3
412.90958	0.6
463.08810	77.1
464.09134	8.2
817.18298	4.5
818.17987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80019	0.5
70.06427	0.8
70.06812	0.8
82.07986	0.4
85.02808	1.0
87.51147	0.5
98.19923	0.5
107.01283	1.2
109.02863	0.5
109.76109	0.4
124.01559	1.9
125.02336	0.8
135.00690	0.5
137.02345	1.9
151.00258	6.2
152.01044	1.2
155.40913	0.5
163.00246	1.0
164.01028	1.8
165.01854	0.5
173.04524	0.6
178.99783	5.3
191.05542	11.6
198.27417	0.5
199.13515	0.6
203.03467	1.0
214.02664	5.3
233.84149	0.5
242.02138	4.1
243.02957	2.7
259.02411	3.8
270.01642	4.9
271.02481	27.7
272.02744	1.8
286.52139	0.5
287.01950	15.8
288.02777	1.1
299.01840	0.7
315.01498	0.6
316.02234	77.3
317.02866	16.3
318.03241	0.9
336.56622	0.6
337.09338	2.5
402.73358	0.5
479.08301	100.0
480.08694	11.7
671.11707	0.6
730.21893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.2
61.98705	100.0
62.98405	0.2
62.99124	0.1
69.78063	0.3
71.01267	0.2
78.95794	0.1
79.95568	0.1
80.96383	0.3
82.03053	0.1
89.02322	0.1
94.56860	0.1
101.02390	0.1
110.87603	0.1
111.93801	0.1
162.91229	0.1
174.42683	0.1
183.13808	0.1
197.11819	0.1
201.57623	0.1
206.89594	0.1
207.10312	0.1
209.11807	0.2
211.13440	0.2
212.13672	0.1
225.11324	0.1
327.80441	0.1
338.37747	0.1
365.22086	0.1
397.13449	0.1
535.77911	0.1
597.68793	0.1
818.38635	0.1
818.52039	0.1
819.39142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.1
59.47072	0.1
61.98705	100.0
62.98399	0.2
62.99164	0.1
70.92278	0.2
71.01291	0.1
72.73283	0.1
78.95821	0.1
80.96400	0.4
92.36811	0.1
197.11729	0.1
202.10690	0.1
209.11804	0.2
267.25674	0.1
294.28018	0.1
439.78995	0.1
494.30643	0.1
819.37238	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	818.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98401	0.1
71.01262	0.1
74.05837	0.1
76.00137	0.1
78.95783	0.1
80.96398	0.4
91.93449	0.1
98.20167	0.7
107.90492	0.1
116.83795	0.1
123.05101	0.1
186.29019	0.1
209.11850	0.1
225.00687	0.1
277.21823	0.1
351.88959	0.1
605.18634	0.1
819.42285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.9
71.01264	2.4
71.03291	1.0
71.03619	0.7
73.02826	8.0
73.14632	0.6
85.02832	2.1
89.02315	1.0
95.04894	0.7
96.95888	1.7
101.02330	1.1
109.02808	0.7
113.02334	3.1
121.80465	0.7
151.00301	0.7
161.04526	1.1
163.11192	7.1
177.01843	0.7
179.10684	0.9
181.12276	96.7
182.12608	6.3
205.12315	1.1
207.10330	0.8
223.09746	0.7
223.13432	1.0
225.11292	100.0
226.11580	6.4
227.03453	15.0
228.03922	1.4
229.05070	2.2
243.03714	0.7
255.02982	22.4
256.03528	3.8
257.04578	1.4
267.12338	5.1
284.03299	18.6
285.04022	17.4
286.04330	2.8
327.14703	0.8
334.31848	0.8
387.16644	38.4
388.16968	4.1
431.09882	19.9
431.14630	0.4
431.15903	0.7
432.10214	2.7
433.10544	1.3
684.04474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
58.00473	1.3
59.01257	18.3
60.01604	0.4
60.69805	0.3
61.21331	0.3
61.98695	1.1
69.03336	1.1
71.01263	18.0
71.41518	0.6
72.99187	1.5
73.02840	2.7
76.58063	0.4
77.77089	0.3
80.02560	1.6
81.03345	2.0
83.01271	1.8
83.04904	5.7
84.02052	1.0
85.02816	4.0
87.00764	4.4
89.02328	15.1
93.03311	0.4
95.01270	1.6
95.04930	0.7
96.95908	1.0
97.02828	2.5
99.00784	1.0
99.04453	0.4
101.02333	12.5
109.06520	0.6
109.22545	0.3
111.04412	0.6
113.02336	7.4
119.03411	4.6
122.86686	0.4
125.02353	5.9
125.05975	0.7
125.09624	0.4
131.03394	0.6
135.08073	1.0
139.03931	0.7
143.03407	2.5
149.04445	0.6
161.04515	2.6
163.11206	4.9
165.12781	2.5
167.14380	0.6
171.10175	1.0
179.05556	4.1
181.12299	0.9
183.13847	7.0
191.10689	1.6
193.12274	1.6
197.55605	0.4
199.06155	0.5
199.13351	0.8
203.05679	0.4
209.11794	100.0
210.12134	7.3
211.13358	87.3
211.17509	0.5
212.13687	5.7
217.07030	0.5
221.06633	1.5
227.12868	17.1
228.13145	0.9
235.08252	5.0
249.14963	0.9
253.09297	0.8
259.08298	0.5
263.07834	0.8
268.23160	0.4
273.88409	0.3
287.07748	1.7
305.08853	2.2
323.09760	1.2
347.75812	0.4
379.12448	5.7
397.13531	40.0
398.13797	3.0
403.25037	0.8
415.14642	10.5
416.14951	0.6
495.32306	0.4
548.80676	0.4
589.25146	0.8
591.26733	1.3
607.26379	2.0
608.27295	0.5
609.27899	2.8
610.28278	0.4
783.38605	1.6
801.39178	0.6
819.40399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.1
61.98705	100.0
62.98404	0.2
64.00499	0.1
69.09634	0.1
70.29920	0.1
71.01264	0.1
71.25365	0.1
71.25700	0.1
78.95782	0.2
79.95625	0.1
80.96364	0.5
92.36638	0.1
94.97980	0.1
96.95921	0.1
100.46841	0.1
110.52493	0.1
112.45108	0.1
171.10207	0.1
192.80293	0.1
209.11710	0.1
225.00581	0.1
265.67923	0.1
277.21860	0.3
302.67200	0.1
569.21686	0.1
672.86890	0.1
816.94476	0.1
821.41919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49316	0.1
61.28039	0.1
61.98703	100.0
62.98409	0.2
62.99122	0.1
63.99126	0.2
71.01257	0.2
72.99195	0.1
78.91767	0.2
78.95786	0.1
79.95596	0.1
80.96391	0.5
85.76511	0.1
90.58682	0.1
96.95909	0.4
96.96862	0.2
143.28613	0.1
265.10583	0.2
277.21808	0.3
293.21359	0.2
327.60104	0.1
454.26508	0.1
505.25183	0.1
803.38983	0.1
821.40771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99609	0.9
59.01259	14.6
59.97994	1.2
61.98709	47.7
71.01254	5.9
73.02819	1.4
78.55269	1.1
78.95789	58.1
78.98488	1.8
79.95621	7.8
80.02561	2.0
80.91558	1.4
80.96404	37.0
81.03342	5.3
83.01280	6.4
83.04935	8.5
84.02050	2.7
85.02829	2.0
87.00742	2.1
89.02361	1.5
94.97966	8.4
95.04897	2.6
96.95903	24.8
96.96863	12.9
97.06498	1.8
99.04509	1.4
101.02381	1.7
111.08066	4.3
124.99994	2.7
125.05955	1.4
125.09628	5.0
127.07619	1.7
134.97464	1.6
135.08078	2.0
148.99054	2.8
152.98442	2.6
152.99513	7.2
163.11235	7.6
164.98534	5.7
165.12840	6.0
167.59370	1.2
168.04250	8.5
181.12187	1.7
191.10773	8.6
197.11760	5.9
198.12187	2.7
209.11803	89.5
210.12172	6.9
223.13342	11.6
224.06891	4.7
225.00676	7.5
226.12180	6.3
227.12833	13.1
235.08229	1.9
241.14462	66.0
242.14781	2.5
253.09251	4.6
261.22104	1.3
277.21811	4.7
279.23334	100.0
280.23642	8.8
291.19687	16.8
292.20020	9.2
293.21158	3.0
309.20782	10.3
310.21051	3.1
376.18069	1.4
448.20529	1.7
466.21844	1.4
504.30789	7.0
643.36163	11.0
644.36206	2.5
669.37848	5.2
670.38641	1.8
710.98169	1.5
714.43750	6.9
728.45172	46.4
729.45349	10.3
746.46185	33.7
747.46497	9.2
820.42267	32.7
821.42010	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	820.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.7
60.60629	0.5
61.98703	56.2
71.01257	2.8
71.53654	0.7
73.02805	1.1
78.95779	21.3
78.98463	1.2
79.95613	2.3
80.96388	12.4
81.03326	0.9
83.01265	0.8
83.04894	1.9
85.01955	0.5
87.00727	0.6
88.98647	0.5
89.02313	0.9
94.97959	2.2
96.95890	2.9
96.96821	2.0
101.02323	2.3
111.08045	1.7
122.98426	0.6
124.99936	1.6
125.02370	0.6
125.09584	1.0
134.97452	0.9
148.99046	1.5
152.98431	0.9
152.99567	3.0
157.84534	0.5
161.04562	0.5
163.11205	1.3
164.98512	1.7
165.12732	0.7
168.04240	3.2
169.12297	1.3
171.10173	0.6
181.12268	1.1
191.10727	1.2
195.13837	0.9
197.11763	11.5
199.13284	0.8
204.99706	0.6
209.11768	19.0
210.12057	0.9
211.13318	1.8
223.13400	1.8
224.06839	1.3
225.00719	2.2
226.00931	0.6
226.12004	1.0
227.12778	2.7
235.08292	0.9
241.14386	11.0
242.14680	1.0
253.09262	7.4
263.20227	0.6
264.28735	0.5
275.20111	2.3
277.21704	1.1
279.23288	100.0
280.23654	9.2
282.34982	0.7
283.92514	0.6
291.19653	4.8
293.21225	21.2
309.20712	16.4
342.53644	0.7
395.08810	0.6
434.19727	0.7
460.14667	0.6
466.22220	3.0
486.29376	0.7
585.42438	0.6
586.14136	0.6
643.36145	4.6
644.36646	1.0
669.37830	1.9
713.42737	0.5
714.43689	3.7
715.43292	1.0
728.45105	20.8
729.45551	4.5
746.46143	15.1
747.46680	4.3
820.42230	12.5
821.41705	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	821.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	2.9
61.98706	100.0
62.98415	1.9
66.28083	2.1
66.60377	1.7
71.01261	2.4
71.54267	3.1
78.95773	4.4
80.96398	7.0
89.02312	2.0
92.36007	1.9
156.94797	2.1
184.84409	1.9
209.11789	18.4
227.12863	3.4
282.76849	2.0
289.18021	5.4
307.19061	4.5
640.82178	2.3
821.40454	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01257	7.1
59.49004	0.7
61.98709	94.3
62.98412	1.0
69.03316	0.6
69.95941	1.5
69.96335	1.6
71.01261	6.0
72.99210	0.8
73.02825	1.2
78.95787	5.8
79.95616	1.8
80.91560	1.1
80.96406	5.6
82.96000	1.4
83.01268	0.8
83.04931	0.9
85.02857	1.6
87.00764	1.3
88.55621	0.6
89.02314	4.2
94.97985	0.8
96.95905	5.9
96.96861	2.2
98.98668	0.6
100.39310	0.6
101.02331	5.1
107.48458	0.7
109.06442	0.7
111.08061	8.5
113.02356	2.6
119.03408	1.4
127.07507	0.6
144.66945	0.6
153.12816	0.6
161.04474	2.5
169.12268	3.3
171.10205	1.2
172.21323	0.7
183.13879	0.9
185.11806	0.8
195.13853	8.5
196.14555	0.9
197.11787	43.7
198.12157	2.8
199.13370	3.3
205.12343	1.2
209.11819	2.9
210.12221	1.1
211.13359	6.0
223.13388	5.7
227.12921	1.4
232.58270	0.7
235.08269	2.7
241.14436	1.1
253.09299	27.2
254.09637	1.7
256.13214	1.2
263.20139	2.4
265.18011	0.9
267.81375	0.7
275.20209	7.4
276.20474	0.8
277.21780	1.7
279.23373	9.4
280.23676	6.9
291.19696	14.2
292.19925	1.5
293.21262	100.0
294.21591	11.3
309.20743	54.0
310.21045	6.0
325.48923	0.7
343.37103	0.6
433.20544	0.9
438.87485	0.8
505.95175	0.7
529.30682	0.7
545.29327	1.1
585.41748	2.1
644.36053	0.9
729.44617	3.5
747.46149	3.2
792.21466	0.7
794.03955	0.7
821.41705	6.7
822.41510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.1
59.01250	12.6
61.98701	55.8
69.03315	1.3
71.01247	6.1
73.02834	1.3
78.95770	11.3
78.98483	1.0
79.95593	1.8
80.91540	2.1
80.96398	5.9
82.95960	1.5
83.01241	0.8
83.04872	1.4
85.02846	1.8
87.00760	1.5
89.02332	4.5
94.97937	1.1
96.95882	7.0
96.96860	2.3
98.19782	1.9
101.02341	5.9
109.06496	1.1
111.08059	10.5
113.02320	2.7
119.03432	0.9
121.10147	0.7
126.10027	0.7
127.07550	1.1
141.48062	0.9
143.03403	0.9
151.11154	1.5
152.99525	0.7
153.12703	2.0
161.04462	3.4
163.11299	0.7
164.98543	1.1
167.10623	1.3
168.04225	1.8
169.12199	5.4
171.10161	3.3
179.05573	1.2
181.12337	1.8
183.13840	1.4
195.13834	8.8
197.11765	52.0
198.12144	3.0
199.13313	3.2
209.11798	6.1
210.12090	3.4
211.13353	8.8
223.13354	6.0
224.06989	0.9
227.12822	2.3
235.08243	1.9
241.14325	3.6
242.14732	1.2
247.09512	1.1
253.09251	33.8
254.09555	2.0
256.13022	1.2
263.20123	3.6
266.78384	0.8
273.18356	1.0
275.20230	7.4
276.00235	0.8
277.21701	2.6
279.23279	30.8
280.23624	24.9
281.23907	1.8
291.19681	16.5
292.19952	1.1
293.21222	100.0
294.21558	9.1
309.20706	73.9
310.21039	8.4
387.15988	0.8
460.81400	0.7
466.22324	1.3
545.29529	1.7
585.41388	3.4
644.10834	0.9
644.36230	2.0
715.43756	1.4
728.44824	0.9
729.45398	11.5
730.46002	1.4
747.46564	6.9
748.46790	1.3
803.38977	1.0
821.42255	8.4
822.41974	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	823.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.9
69.03342	0.4
71.01268	2.5
71.54628	0.3
73.02823	8.3
81.03345	3.5
83.01283	1.3
85.02833	2.0
87.04422	0.3
89.02344	0.6
93.03359	2.7
95.01272	0.9
95.04919	0.7
96.95875	0.5
97.02839	0.6
97.06486	0.4
101.02344	1.4
104.23711	0.3
109.06514	0.7
111.08074	0.6
113.02342	3.7
119.04929	3.4
123.04426	9.4
124.04774	1.0
125.02348	5.0
135.04430	0.8
149.02345	0.6
151.00288	1.1
161.04475	1.3
163.11221	7.0
164.11462	0.5
167.03430	27.6
168.03775	1.6
177.12791	0.4
179.03435	2.4
179.10751	0.6
181.12280	100.0
182.12602	5.5
189.05489	0.5
191.03508	0.4
191.05577	0.6
195.13872	0.8
205.12283	0.6
207.10162	1.7
215.34245	0.4
223.09769	0.9
223.13388	0.8
225.11296	90.4
226.11636	6.1
226.68892	0.3
229.08614	0.5
229.25041	0.4
239.12906	0.5
267.12424	4.1
273.07712	26.2
274.08029	3.5
279.12460	0.3
327.14514	0.6
369.15866	0.4
387.16629	40.3
388.16925	3.9
435.12936	3.5
436.13159	0.6
519.09290	0.6
548.47626	0.4
617.39905	0.4
681.11304	0.4
729.52850	0.4
748.11340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4131
Annotation	Tuboanoside B
Peak:m/z	Relative Intensity
59.01256	36.1
61.98706	44.2
65.62198	3.8
68.99719	3.7
71.01253	75.2
72.99204	7.2
73.02814	6.7
80.96380	4.6
83.01240	4.7
83.04919	5.7
85.02827	19.7
87.00761	18.3
89.02320	38.5
98.03652	4.3
98.19621	3.2
99.00761	20.6
101.02318	29.6
108.03606	4.2
109.06480	9.4
111.04417	8.1
113.02346	32.1
116.92731	19.0
119.03396	12.7
127.07502	9.8
131.03387	13.5
150.07121	3.3
159.02910	5.3
161.04489	22.3
167.21582	4.0
179.05537	35.2
209.11752	11.1
211.13235	6.2
221.06590	39.4
257.07898	4.5
263.07791	18.7
281.87332	3.7
306.65482	4.0
309.20731	7.9
323.09702	4.9
327.23312	16.3
358.12582	5.8
369.24341	43.1
370.24539	7.2
423.28732	6.4
437.30408	4.4
455.31635	87.7
456.31961	15.1
481.29501	7.5
499.30646	100.0
500.30948	12.6
703.36920	6.8
819.28064	4.5
823.41309	71.1
824.40942	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	823.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	22.3
61.98706	99.9
62.15616	6.5
71.01260	48.0
73.02814	8.3
73.57127	8.0
78.95791	11.8
80.96398	35.1
85.02824	14.3
87.00775	10.7
89.02322	17.7
98.20169	46.4
101.02345	17.5
109.06461	10.9
113.02353	13.9
116.92733	24.6
125.02372	7.8
165.73405	8.2
179.05399	17.9
183.09247	8.1
197.11774	16.0
209.11781	86.7
211.13222	11.2
219.80298	6.9
221.06602	13.9
225.00667	10.6
227.12860	19.0
235.08098	7.4
253.09285	21.9
309.20624	46.3
369.24146	17.7
393.36990	8.0
445.20438	10.4
455.31674	32.1
499.30414	39.8
800.36206	8.6
823.41382	100.0
824.41797	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.4
59.01249	5.9
61.98686	0.9
69.03313	1.1
70.72754	0.4
71.01259	6.8
72.99189	0.4
73.02833	2.0
80.96388	0.6
83.01255	1.6
83.04892	1.0
85.02823	5.4
87.00761	2.0
89.02321	4.2
91.03886	0.3
95.01262	0.5
97.02830	1.4
97.06484	1.7
99.00761	0.6
99.04419	0.3
101.02332	6.4
111.04424	0.3
113.01627	0.4
113.02340	3.7
119.03423	1.4
125.02279	0.3
125.09593	0.8
127.11166	0.7
133.04959	0.7
137.09625	1.1
138.52893	0.3
143.03412	0.5
145.04970	1.8
155.10672	1.2
155.14406	0.3
157.04971	0.7
161.04475	2.6
162.02440	0.3
163.11252	0.4
163.16956	0.3
165.12740	0.8
167.14317	0.6
171.10185	10.8
172.10487	0.7
177.12756	0.4
179.05530	0.7
181.12219	0.3
183.13837	2.3
185.11748	0.7
193.12267	0.7
197.11806	0.8
201.11334	0.6
203.10754	0.5
205.19681	0.3
209.11784	1.0
211.13338	9.8
212.13676	0.6
221.11725	2.0
227.12820	0.5
229.14413	7.3
230.14842	0.4
235.08211	17.9
236.08492	0.7
239.12796	0.9
247.20580	0.7
253.09271	24.3
254.09612	0.9
259.20660	0.4
277.21725	100.0
278.22061	8.4
291.19629	4.4
292.19992	0.4
293.21204	0.3
295.22849	0.5
309.20718	11.8
310.21042	1.0
311.22232	0.4
327.21768	67.7
328.22076	5.9
328.25964	0.3
513.31201	0.6
545.29987	1.9
546.30591	0.3
563.31079	2.2
587.43323	1.1
736.89075	0.3
780.69794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.5
59.01252	7.0
60.74081	0.5
60.99187	1.2
62.42754	0.4
64.26222	0.4
67.01760	3.6
69.03331	3.1
70.78702	0.4
71.01260	9.0
71.04903	0.4
71.54318	0.7
72.99197	0.6
73.02824	0.8
81.03345	1.3
83.01270	2.1
83.04893	1.6
85.02829	16.1
86.74086	0.4
87.00761	10.6
89.02331	2.7
93.03348	35.1
94.03659	0.8
95.01270	1.2
96.95893	0.5
99.00771	2.7
99.04408	0.8
101.02340	2.2
108.02079	1.7
109.02845	5.1
111.04417	5.3
113.02318	3.5
115.00280	6.7
117.03361	0.5
119.03409	1.4
119.04913	2.4
121.02850	1.5
122.03548	0.4
123.04422	0.7
125.02345	0.8
127.03893	3.0
129.01837	1.0
131.81738	0.4
133.01366	0.5
133.02847	2.4
134.03625	0.5
135.04431	4.7
137.02411	1.0
139.00273	0.7
145.02849	1.0
146.78644	0.5
147.04443	4.3
149.05984	0.7
153.52611	0.4
155.03438	1.9
155.10587	0.4
157.01349	5.8
161.02388	5.3
161.06010	1.9
171.03014	1.0
171.04407	0.9
173.03078	0.9
173.04497	13.4
175.04010	0.7
177.05580	0.7
177.83879	0.5
179.03430	3.8
185.05994	1.2
187.03999	0.6
191.05556	100.0
192.05875	3.9
197.06053	0.5
199.07603	0.9
209.06024	1.2
210.06750	1.0
213.69106	0.4
215.03510	0.6
217.03487	1.6
221.04373	0.6
222.04488	0.4
225.05595	1.2
226.06293	5.7
227.07106	59.9
228.07376	4.5
238.06328	0.9
239.07109	2.1
251.07196	0.7
253.08672	3.7
255.10248	11.1
256.10687	0.8
263.07126	1.2
266.05859	3.2
279.06619	1.8
280.07428	1.0
281.08313	9.8
282.08636	0.9
289.05710	1.0
299.09216	0.5
307.06094	2.4
325.07141	2.2
327.10928	1.9
331.06836	0.6
333.69342	0.4
337.08731	0.5
341.10538	2.0
343.08316	3.1
353.08972	1.2
367.08252	2.4
385.09192	0.6
391.08948	1.0
397.09320	0.9
404.82306	0.5
415.10162	0.5
427.10403	1.8
445.11185	0.9
451.10989	0.8
487.12195	0.4
489.13611	0.8
517.13690	2.9
518.14496	0.6
559.14642	1.0
589.15503	1.9
599.16650	3.1
600.17023	0.6
619.16602	8.4
620.16815	1.8
635.17822	1.0
653.18872	1.7
654.19446	0.6
679.18787	14.0
679.30096	0.9
680.19012	3.1
827.24109	38.8
828.24457	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	827.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
60.99154	0.1
67.01758	0.5
68.43288	0.1
69.03320	0.3
69.37833	0.3
69.38242	0.6
71.01253	1.1
72.99129	0.1
73.02815	0.2
81.03336	0.2
83.04900	0.4
85.02823	8.4
86.03172	0.2
87.00750	2.1
89.02313	0.3
93.03333	4.5
93.03922	0.3
94.03690	0.1
96.95936	0.1
99.04401	0.3
100.25466	0.1
101.02341	0.3
108.02103	0.1
109.02824	1.0
111.04414	1.1
112.95097	0.1
113.02288	0.3
115.00269	0.3
117.03343	0.2
119.04923	1.1
127.03896	2.1
133.02859	2.4
133.06496	0.2
134.03677	0.2
135.04416	5.2
136.04744	0.2
137.02361	0.2
143.03435	0.2
145.02855	1.2
147.04401	0.5
149.05984	0.3
153.01781	0.1
155.03360	0.4
161.02348	7.8
161.05986	0.5
162.02722	0.3
163.03906	0.8
171.02875	0.7
173.04471	1.5
177.05473	0.5
179.03416	3.8
179.05716	0.2
180.03793	0.2
191.05539	100.0
192.05882	3.2
203.03432	0.1
205.05023	0.4
221.04465	0.5
227.07086	3.4
228.07407	0.3
239.07065	1.0
251.05545	0.2
255.10194	1.0
256.10681	0.1
263.07068	0.1
265.07230	0.4
281.06735	0.4
299.09280	0.2
307.06033	0.2
312.82236	0.1
325.07144	0.2
327.10800	0.3
337.09262	0.4
341.09772	0.3
343.08115	0.2
353.08749	5.3
354.09158	0.4
362.43674	0.1
365.12735	0.1
367.08264	0.2
442.88196	0.1
463.08786	0.1
489.14130	0.4
499.11661	0.2
517.13501	0.6
559.14233	0.5
589.15381	0.7
619.16699	3.3
620.17096	0.6
635.17615	0.2
653.19763	0.2
679.18762	5.0
680.19159	0.9
827.24011	6.5
828.24615	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	827.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.3
65.43191	0.4
67.01766	1.3
69.03314	0.8
69.21912	0.7
69.22310	2.9
71.01264	2.3
81.03310	0.4
83.04916	0.6
85.02827	9.4
87.00766	3.1
89.02324	0.8
93.03337	9.8
93.03919	0.7
93.21401	0.3
96.95916	0.8
98.19827	0.5
99.00784	0.8
99.04408	0.5
101.02323	0.4
108.02090	0.4
109.02827	1.7
111.04398	1.9
113.02355	1.1
115.00269	1.0
119.04920	1.2
125.02348	0.5
126.31433	0.3
127.03912	3.3
133.02853	3.2
133.06499	0.4
135.04428	5.7
145.02847	0.8
147.04446	1.0
155.03427	0.5
157.01337	0.7
161.02357	7.0
161.06029	0.6
163.03918	0.9
171.02853	0.6
173.04475	3.6
177.05511	0.7
179.03432	4.3
191.05547	100.0
192.05881	3.3
216.37093	0.4
217.03526	0.5
221.04550	0.8
226.06456	0.7
227.07101	12.8
228.07289	0.9
233.53021	0.4
239.07007	1.9
253.08611	0.5
255.10258	1.7
266.05731	0.5
271.86716	0.3
281.08078	1.5
307.05930	0.5
325.07037	0.6
327.10800	0.6
335.81555	0.4
337.09296	0.5
341.10092	0.8
353.08768	5.5
363.11087	0.6
367.08145	0.7
397.09109	0.4
407.80502	0.4
427.10583	0.6
489.13632	0.5
517.13385	1.3
518.14801	0.4
559.14319	0.4
589.15460	1.1
599.16058	0.6
619.16553	3.7
620.17017	0.5
679.18762	9.3
680.19189	1.2
827.24023	19.3
828.24536	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	827.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84164	0.9
59.01244	5.7
60.99158	1.0
67.01757	2.4
68.48282	0.8
69.03332	1.7
69.34030	4.1
69.34459	3.4
71.01247	6.3
73.02805	0.9
81.03317	1.6
83.01265	1.0
83.04892	0.9
85.02821	12.9
87.00757	6.2
89.02337	1.5
93.03333	22.0
96.95886	1.9
99.00764	2.2
99.02566	0.7
99.04385	1.1
101.02329	2.1
109.02836	4.0
111.04399	2.8
113.02309	3.5
115.00250	4.1
119.04889	1.0
125.02366	1.1
127.03901	2.1
133.02817	2.0
135.04453	5.4
137.02432	0.9
147.04385	3.2
155.03319	1.0
157.01328	5.2
161.02380	7.3
161.05946	1.3
173.04500	9.3
179.03439	4.7
191.05542	100.0
192.05891	3.9
217.03455	2.0
226.06209	1.4
227.07094	12.8
239.07083	1.7
239.31003	0.9
253.08713	1.6
255.10225	6.0
266.05927	2.1
279.06693	1.3
281.08270	7.5
307.05984	2.1
325.07266	1.8
353.08765	3.3
367.08389	1.6
426.22281	0.9
427.10437	1.6
451.10751	1.3
489.13998	1.7
599.15948	3.1
619.16541	3.5
635.18372	1.0
653.18237	1.1
679.19159	6.5
680.19324	1.1
827.23950	26.8
828.24237	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	827.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.1
60.99180	1.4
65.03828	0.6
67.01769	6.2
67.18312	0.6
69.03338	5.1
69.54030	2.0
69.54439	1.2
71.01258	11.9
72.02164	0.5
73.42785	0.5
81.03339	2.5
83.01266	2.6
83.04898	1.8
83.60638	0.5
85.02830	17.2
87.00761	14.0
89.02317	2.7
93.03341	44.2
94.03687	1.4
95.01287	1.5
96.71771	0.5
99.00767	6.3
99.04413	1.2
101.02320	2.9
108.02057	1.8
109.02844	7.3
111.04408	7.9
113.02343	6.3
115.00262	13.6
119.03378	1.0
119.04948	1.1
121.02859	0.7
122.03613	1.0
123.04420	0.5
127.03905	3.9
129.01836	1.3
133.01311	0.9
133.02876	1.0
135.04468	2.6
137.02367	1.9
139.00284	1.8
143.04903	0.5
144.47729	0.6
145.02802	0.6
146.03645	1.4
147.04443	5.0
155.03415	2.2
157.01343	12.8
159.04439	0.6
161.02367	1.2
161.05957	3.3
171.03014	1.0
171.04494	1.8
173.04478	23.4
174.03242	0.6
175.03957	0.6
179.03400	1.5
179.05428	0.5
185.06044	0.9
187.02391	1.2
187.03943	0.7
191.05551	100.0
192.05911	3.7
199.07623	0.6
203.03391	0.8
205.39255	0.6
209.05965	0.7
210.06827	0.8
217.03496	5.0
225.05620	1.3
226.06314	5.5
227.07098	36.5
228.07466	2.3
238.06319	0.8
238.14618	0.5
239.07066	2.2
251.07156	1.1
253.08673	6.3
254.09117	0.6
255.10265	23.2
256.10577	2.6
262.06253	0.7
263.07120	0.8
264.07736	0.6
266.05811	3.6
279.06741	1.3
280.07181	1.2
281.08212	17.4
282.08621	1.9
289.05573	1.0
307.06085	2.6
323.09238	0.8
325.07108	2.2
327.10837	0.7
331.06689	1.8
341.10333	3.4
343.08276	5.9
344.08109	0.6
361.07950	0.7
367.08267	2.1
383.77771	0.6
385.09409	0.8
391.08759	1.9
392.09430	0.6
397.09036	0.7
415.10355	1.0
425.10742	0.8
427.10248	1.3
445.11380	2.1
451.11145	1.8
505.13916	0.7
517.13440	4.2
559.14716	2.0
589.15668	2.2
599.16241	4.4
600.17126	0.9
619.16693	11.9
620.16742	2.3
653.18982	2.5
654.18903	0.8
679.18866	17.8
680.19147	3.3
827.24133	40.6
828.24542	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	827.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
60.99178	17.5
61.98708	2.0
63.71994	0.5
71.54452	0.4
75.00739	0.4
79.44307	0.4
83.04871	0.4
87.00755	1.6
88.00268	3.5
88.98680	100.0
89.02318	10.7
89.99012	0.8
96.95847	0.5
116.92747	0.7
126.40845	0.4
136.34744	0.4
209.11777	4.2
227.12971	0.9
284.14444	0.4
393.56152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.6
59.94594	0.7
64.05409	0.6
71.01254	4.1
72.99171	0.8
73.02847	0.8
73.27802	0.7
75.00747	22.6
85.02808	1.4
87.00738	1.9
89.02319	6.4
100.48361	0.6
101.02352	1.6
105.01816	1.9
119.04918	24.7
120.05254	1.0
129.01842	4.6
131.03395	2.2
134.86752	0.6
135.04390	4.1
147.02892	4.6
149.04466	24.1
149.05646	1.5
150.04892	0.6
161.02341	1.2
163.03922	36.2
164.04257	2.0
165.03961	100.0
166.04309	2.2
179.03445	3.7
180.86465	0.6
191.05553	1.8
311.07715	39.6
312.08026	2.7
809.18835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.46
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	15.8
61.98705	10.2
69.03346	1.3
69.42022	6.1
71.01258	8.8
72.99190	1.2
73.02829	1.2
82.73312	0.9
83.01269	1.6
85.02820	1.3
87.00764	1.9
88.98701	2.2
89.02335	5.6
97.02840	2.0
97.06471	2.3
101.02341	6.4
113.02347	4.2
116.92798	0.9
119.03439	2.2
125.02326	1.8
125.09614	2.9
143.03447	1.1
161.04523	1.9
163.11197	1.6
171.10204	25.5
172.10478	1.5
179.05583	1.2
183.13863	7.1
185.11760	2.5
191.14404	3.2
193.12238	1.0
207.10187	1.6
209.11780	4.8
211.13367	100.0
212.13806	5.5
225.11272	1.4
235.08298	4.7
245.19135	3.4
253.09319	8.6
257.85461	1.0
263.20193	1.4
277.21759	14.5
278.22162	1.7
289.18152	25.3
290.18600	2.0
307.19205	24.3
308.19434	1.7
342.38104	1.2
345.99405	1.1
379.12418	2.9
397.13647	6.6
415.14447	2.2
447.22498	5.4
501.32178	1.3
555.47357	1.0
621.32629	3.6
719.40228	1.5
737.40637	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	831.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.8
59.01255	19.3
61.98717	2.1
68.99699	0.5
69.03322	2.9
70.03221	1.0
71.01256	19.2
71.04893	0.7
72.99184	1.4
73.02827	2.8
75.00754	0.5
78.95789	4.5
80.02541	1.2
81.03332	2.5
83.01261	2.2
83.04902	5.2
84.02055	1.1
85.02834	4.4
85.06506	0.5
87.00759	4.3
88.98657	0.5
89.02321	13.9
93.03333	1.5
95.01245	1.5
95.04903	1.5
96.95879	1.3
96.96844	1.2
97.02844	2.4
99.00758	1.0
99.04379	0.5
101.02328	12.2
102.31358	0.4
107.04836	0.5
109.02814	0.8
109.06496	0.8
111.00790	0.4
111.04392	0.9
113.02333	7.1
115.00241	1.1
116.97106	0.4
119.03385	3.7
125.02345	5.1
125.05981	0.8
125.09602	0.7
129.01758	0.5
131.03386	0.7
135.08060	0.6
141.01698	0.5
142.19223	0.4
143.03426	2.4
149.04425	0.7
149.09666	0.5
152.99510	1.3
161.04500	3.1
163.11214	4.4
165.11571	0.5
165.12706	2.6
167.03453	0.7
167.10693	2.8
171.10211	0.9
173.04480	1.7
175.02379	1.5
177.12813	0.6
179.05528	4.3
179.10789	0.5
179.14311	2.4
181.12306	0.7
191.10754	0.9
195.13876	8.0
202.39760	0.4
205.12285	7.0
206.12709	0.5
209.11780	100.0
210.12125	6.1
211.13332	1.5
217.07069	0.8
221.06670	1.3
222.99942	0.4
223.13359	65.2
224.13655	4.2
227.12857	15.5
227.15131	0.8
228.13184	1.0
235.08148	4.4
241.01205	1.7
253.09366	0.7
255.23296	3.5
261.14929	1.3
263.07840	0.4
277.21667	2.5
278.22440	0.5
287.07788	1.7
305.08923	2.0
323.09933	1.4
379.12491	3.8
391.22540	0.8
397.13516	35.2
398.13919	3.7
406.20947	0.5
415.14517	9.9
416.14584	0.9
507.82690	0.6
553.27979	0.5
589.24945	0.6
603.26721	2.8
607.26147	1.5
621.27582	4.9
622.28027	0.7
795.37714	0.8
813.38507	1.2
831.50446	4.8
832.51593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
69.59605	1.9
70.19323	0.3
72.96650	0.3
78.95778	40.1
79.95628	0.4
80.96397	2.0
84.41185	0.3
96.96841	9.2
98.20532	0.5
105.91348	0.3
118.85474	0.3
118.94502	0.4
122.97491	0.4
127.35852	0.3
134.98407	0.5
150.98006	0.4
152.98326	0.6
152.99493	9.5
169.18098	0.3
173.33510	0.3
189.88551	0.3
198.39384	0.3
202.86189	0.3
223.00073	4.2
241.01155	20.5
242.01570	0.4
255.23273	27.1
256.23581	2.1
259.02219	1.3
277.21722	18.2
278.21927	1.7
297.03860	1.5
315.04803	0.4
391.22534	7.8
392.22937	1.2
409.23666	0.9
413.20947	1.1
553.19879	0.6
553.27893	7.7
553.34229	0.2
554.28345	1.0
571.28625	0.5
575.26129	1.0
727.15961	0.4
789.76788	0.3
831.50256	100.0
832.50610	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
60.18998	0.1
61.98703	100.0
62.98410	0.2
70.69232	0.1
70.69559	0.1
71.01270	0.1
78.95787	0.3
79.95613	0.1
80.96384	0.4
96.07865	0.1
96.95921	0.2
96.96848	0.1
99.00733	0.1
112.98702	0.3
163.05048	0.1
168.67271	0.1
170.12933	0.1
191.05478	0.1
241.01067	0.1
255.23433	0.2
279.23416	0.1
341.42538	0.1
394.40225	0.1
453.80344	0.1
664.89392	0.1
667.41089	0.1
759.31750	0.1
834.52795	0.3
835.42291	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	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.7
59.01254	11.0
69.03324	0.6
71.01256	8.7
71.25879	0.3
72.99178	0.6
73.02833	1.5
80.02547	1.5
81.03333	2.2
83.01251	1.0
83.04901	5.9
84.02044	0.9
85.02818	1.8
87.00739	2.0
89.02321	7.4
93.03345	0.4
95.01262	0.9
95.04900	1.1
97.02850	1.3
97.06463	0.4
99.00774	0.6
101.02327	6.5
109.06467	0.4
111.04404	0.3
113.02342	3.1
114.28667	0.2
119.03421	1.9
121.02897	0.2
125.02319	2.7
125.05960	0.5
125.09614	0.5
127.03799	0.3
131.03409	0.6
135.08060	0.9
141.01796	0.3
143.03407	1.2
143.16969	0.2
147.11656	0.2
153.12704	0.3
159.35883	0.2
161.04468	1.5
163.11206	4.8
165.11505	0.3
165.12755	2.6
167.03279	0.3
171.10170	0.9
179.05530	2.4
181.12224	0.6
183.19989	0.2
191.10764	1.1
199.06131	0.2
199.13280	1.0
205.12439	0.2
206.49428	0.2
209.11774	100.0
210.12120	5.5
217.07149	0.3
221.06586	0.8
221.11749	0.3
227.12845	16.1
228.13184	0.9
235.08202	2.9
247.13400	0.6
251.12830	0.3
253.09325	0.4
263.07681	0.3
265.14438	0.3
287.07776	0.7
305.08932	1.0
323.09909	0.5
379.12411	2.1
397.13519	19.5
398.13846	1.6
401.23370	0.2
415.14606	5.7
416.14896	0.5
426.17258	0.2
607.26196	0.7
625.27917	0.4
799.37213	0.7
800.37305	0.3
817.37555	0.3
835.40540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.5
59.01256	9.2
68.25859	0.1
69.03312	0.4
70.83035	0.3
71.01260	7.8
72.01623	0.1
72.99210	0.8
73.02831	1.5
77.24293	0.1
80.02544	1.1
81.03342	1.7
82.39625	0.2
83.01261	1.0
83.04904	5.0
84.02051	0.9
84.05284	0.2
85.02835	1.8
87.00761	1.7
89.02326	6.9
93.03343	0.4
95.01277	0.6
95.04910	0.6
97.02844	1.6
97.06450	0.3
99.00744	0.4
99.43810	0.1
100.04103	0.2
101.02334	5.4
103.99064	0.1
109.02833	0.2
109.06493	0.3
111.04443	0.3
113.02341	3.5
115.03905	0.2
119.03410	2.2
121.02802	0.2
125.02348	2.7
125.05964	0.6
125.09618	0.4
127.03896	0.2
129.01814	0.2
131.03455	0.4
135.08084	0.8
139.03914	0.3
143.03441	1.3
145.10136	0.2
147.11743	0.3
149.04469	0.3
149.09613	0.2
161.04491	1.4
163.11214	4.1
164.11494	0.2
165.12776	2.4
171.10193	0.8
179.05530	2.2
181.12253	0.6
185.04419	0.2
191.10683	1.2
199.13341	0.4
203.05632	0.2
207.10263	0.2
209.11790	100.0
210.12129	6.9
217.07152	0.4
221.06628	0.6
221.70149	0.1
223.13388	0.3
225.11353	0.2
227.12857	16.2
228.13152	0.8
229.14471	0.2
235.08211	2.4
247.13344	0.8
248.60204	0.1
251.12817	0.3
253.09253	0.5
259.08228	0.3
259.82135	0.2
263.07813	0.2
265.14413	0.3
268.51437	0.1
285.22369	0.1
285.88141	0.2
287.07727	0.9
305.08871	0.9
323.09949	0.6
379.12534	2.1
380.12723	0.2
397.13535	19.1
398.13907	1.8
415.09039	0.3
415.14639	5.6
416.14957	0.6
419.24384	0.3
589.24823	0.4
607.26123	1.0
799.37897	0.8
817.38287	0.3
835.39203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.0
59.01252	9.9
60.69903	0.6
61.98704	100.0
62.98395	1.5
67.55016	0.7
69.03316	1.2
71.01255	9.5
71.53971	1.0
73.02837	2.1
74.27142	0.6
74.57478	0.6
75.00764	0.8
78.95784	4.7
79.95638	1.1
80.96391	2.7
81.03336	1.9
83.01256	1.9
83.04918	2.2
84.02062	0.8
85.02834	2.6
85.03297	0.7
87.00762	2.3
89.02301	5.8
95.04930	1.0
96.95892	7.5
96.96853	1.6
97.02837	2.1
97.06470	5.5
98.20511	0.9
101.02332	7.4
109.06480	1.2
111.08040	13.1
113.02314	3.7
119.03379	2.0
121.06512	1.1
123.04401	2.5
123.08086	1.6
125.09637	3.9
127.07584	1.1
131.48207	0.7
135.08081	1.3
137.06038	1.3
137.09642	2.2
141.12788	1.0
145.04921	1.0
151.11183	1.4
152.99553	1.5
153.12772	1.8
161.04482	3.1
161.09744	0.8
163.11195	6.9
165.12773	3.0
166.48607	0.7
167.10681	0.9
169.12276	6.0
171.10201	1.9
172.34755	0.7
175.02438	1.2
177.12758	1.0
179.10802	1.4
181.12219	3.2
183.13884	0.9
185.11794	4.1
191.10757	0.9
191.14340	6.7
193.12314	1.0
197.11763	59.8
198.12085	3.4
199.09711	0.8
199.13350	3.4
207.10197	3.2
209.11772	19.5
210.12201	1.3
211.13324	10.3
212.13577	0.7
221.11891	1.4
225.11369	2.9
227.12848	2.5
235.08162	4.5
237.11333	3.9
241.01140	0.9
245.04373	1.4
245.19102	12.1
246.19527	1.6
253.09273	26.9
253.11894	1.3
254.09633	1.6
255.23347	1.9
263.20163	9.6
264.20499	1.2
265.18146	1.7
271.17114	2.3
277.21719	2.8
278.22064	0.7
279.23178	1.2
284.24689	0.7
289.18097	59.6
290.18515	4.1
291.16336	1.1
291.19641	22.0
292.20142	2.5
293.21439	0.8
307.19150	59.9
308.19492	6.1
309.20703	66.8
310.21088	6.2
379.12643	0.8
445.20767	1.0
481.25876	2.7
525.27155	1.5
543.28394	1.5
544.28394	1.0
555.05060	0.7
575.06958	0.7
599.39667	0.7
604.50482	0.8
660.39423	1.3
700.38208	0.8
835.40894	8.8
836.43475	2.4
858.64917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	0.9
59.01252	9.7
61.98704	100.0
69.03344	2.6
71.01257	9.3
72.99195	1.0
73.02808	1.5
78.95776	3.9
79.14879	0.7
79.95600	0.9
80.96418	1.9
81.03377	1.0
83.01271	2.9
83.04920	1.6
83.32718	0.7
83.82142	0.7
85.02811	1.6
87.00780	1.3
89.02332	5.5
90.94291	0.6
92.30522	0.7
95.04920	1.8
96.95879	6.1
96.96864	0.9
97.02847	1.8
97.06492	4.5
101.02321	8.4
101.76478	0.8
109.02840	0.9
109.06488	1.6
111.08047	12.6
113.02334	3.6
115.00301	0.8
119.03443	1.1
120.14079	0.8
121.06509	1.3
123.04430	2.4
123.08044	1.4
125.02350	1.2
125.09613	3.6
126.31384	0.7
135.08131	1.1
137.09642	2.8
138.10123	0.8
143.03345	0.8
145.04913	0.8
151.11259	2.2
152.99551	0.9
153.09192	1.0
153.12802	1.9
161.04510	3.5
161.09525	0.8
163.11151	5.0
165.12822	2.4
167.10759	1.5
169.12251	4.8
171.10237	1.6
179.05531	1.2
179.10838	1.1
181.12292	2.8
185.11826	2.1
191.10779	2.3
191.14325	6.4
193.12419	0.8
197.11774	57.8
198.12154	2.9
199.09673	1.0
199.13301	4.0
207.10291	2.7
209.11772	18.2
211.13336	8.8
217.16031	0.8
225.11327	2.0
226.11888	1.0
227.12869	4.0
229.47377	1.0
235.08240	3.1
237.11238	4.2
245.04367	1.7
245.19069	9.5
249.14990	0.8
253.09267	23.1
254.09738	1.7
254.94403	0.7
255.23415	1.2
263.20178	10.8
265.18127	1.9
271.17172	1.5
273.18857	0.8
277.21930	1.8
289.18100	54.3
290.18427	5.1
291.19662	17.8
292.20139	2.1
307.19153	56.7
308.19583	5.4
309.20712	67.1
310.21063	6.4
325.20154	1.0
338.27905	0.8
445.21143	2.1
481.25906	1.6
482.20419	0.9
525.26923	1.0
543.28473	2.6
545.30029	0.9
835.41064	5.1
836.42413	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	836.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
61.98705	100.0
71.01269	0.6
71.53924	0.2
78.95773	0.3
80.96397	0.3
81.12436	0.2
87.00777	0.2
94.98012	0.2
96.95933	0.4
105.72955	0.2
161.04317	0.2
183.13869	0.2
201.11362	0.2
209.11758	1.3
210.12192	0.4
211.13417	0.3
216.31900	0.2
227.12984	0.4
297.49072	0.2
836.39844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75673	0.1
59.39949	0.1
61.98708	100.0
62.98405	0.2
63.98003	0.1
70.86395	0.2
74.10485	0.1
80.96447	0.1
89.58521	0.1
94.77448	0.1
120.94990	0.1
141.52214	0.1
151.36787	0.1
233.99500	0.1
249.56018	0.1
459.38116	0.1
522.21130	0.1
572.92078	0.1
669.41040	0.1
720.62781	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	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.5
61.58985	0.4
61.98705	11.8
69.03332	1.3
71.01250	5.6
72.99194	0.7
73.02812	1.1
78.91772	1.3
78.95770	4.3
79.06993	0.4
80.02554	0.4
83.04906	1.1
85.02821	1.4
87.00751	1.6
88.98655	0.5
89.02323	3.5
94.97029	0.5
95.01268	0.5
96.95906	1.8
96.96844	4.5
97.02846	0.5
98.19723	0.7
99.00770	0.6
100.47492	0.4
101.02322	4.3
109.06480	0.9
111.08047	16.2
112.08366	0.5
113.02341	2.1
115.00235	1.2
116.02789	0.4
119.03401	1.1
125.02309	0.6
125.09647	0.5
127.07528	1.1
129.69885	0.4
143.03429	0.5
151.11163	1.1
153.09152	0.9
153.12781	1.7
157.67831	0.5
161.04477	1.9
165.12762	0.7
169.12277	5.8
179.05664	0.7
179.10728	0.5
181.12294	1.4
183.13847	0.9
197.11777	82.1
198.12134	4.6
199.13347	5.0
209.11797	0.8
211.13344	11.1
212.13622	0.4
223.13333	0.6
227.12807	2.1
235.08189	2.3
247.20624	0.5
253.09270	21.9
254.09668	1.0
261.88254	0.5
263.20139	4.3
265.18045	2.6
273.18561	1.0
286.10229	0.4
288.02145	0.5
291.19666	25.7
292.20016	2.0
293.21152	0.7
309.20712	100.0
310.21078	10.3
367.72208	0.4
433.20865	0.8
545.29645	2.5
599.27893	0.6
601.41022	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	837.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.5
61.98704	4.1
69.03325	1.0
71.01254	4.2
73.02824	1.1
78.27270	0.3
78.91756	0.4
78.95779	2.0
80.96391	0.5
81.03333	0.3
83.01260	0.4
83.04896	0.6
85.02834	1.0
87.00759	0.9
89.02319	3.9
93.06985	0.3
94.97984	0.3
96.95893	2.2
96.96832	2.2
97.02831	0.5
97.06439	0.6
97.66074	0.2
101.02323	4.5
104.96765	0.3
107.67127	0.3
109.06476	0.6
111.08042	13.8
112.08414	0.3
113.02349	2.6
115.00272	1.7
119.03423	1.1
125.02331	0.6
127.07552	0.8
137.09685	0.4
139.11136	0.3
141.09113	0.4
143.03407	0.5
145.04922	0.4
151.11209	0.8
153.09160	0.6
153.12762	1.1
161.04480	2.6
163.38853	0.3
165.12738	0.8
167.10690	0.4
169.12267	6.1
170.12602	0.4
178.58270	0.2
179.05537	0.7
179.10683	0.3
181.12262	1.7
183.13820	1.1
193.12276	0.7
197.11768	70.6
198.12090	3.3
199.13344	4.2
209.11771	0.3
209.15442	0.3
211.13341	10.4
212.13744	0.5
221.11867	0.3
227.12817	1.6
235.08195	2.8
247.16933	0.3
247.20647	0.5
253.09265	23.1
253.21628	0.3
254.09564	1.0
263.20135	4.0
265.18121	1.8
273.18640	1.8
277.21664	0.8
291.19662	22.8
292.19940	2.3
309.20709	100.0
310.21069	9.6
433.20572	0.8
527.28381	0.9
545.29718	2.6
601.40918	2.3
602.40814	0.6
837.50220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.3
61.98714	7.0
69.54749	1.6
69.55164	2.5
71.01255	5.1
73.02827	1.4
73.44543	0.7
78.95776	2.8
80.96387	1.0
81.01969	0.6
81.03311	0.8
85.02816	1.0
87.00760	0.9
89.02332	3.0
94.97971	0.7
96.95895	4.1
96.96843	3.0
98.20501	1.2
101.02313	3.8
111.08039	11.6
113.02330	2.1
115.00242	3.6
119.03407	1.0
127.07561	1.7
130.80873	0.6
141.09123	0.6
151.11191	0.9
153.12782	0.7
161.04486	1.6
169.12257	4.2
170.35568	0.7
181.12343	1.3
183.13814	1.1
197.11766	53.7
198.12100	2.8
199.13248	3.5
209.11806	1.6
211.13356	9.0
212.13332	0.8
227.12880	1.7
235.08156	1.6
239.12689	0.8
253.09274	22.4
254.09715	1.5
263.20203	4.6
265.18008	0.8
269.94363	0.7
273.18692	0.8
277.21634	0.9
291.19669	18.9
292.19971	1.8
293.21188	1.5
309.20715	100.0
310.21042	10.7
495.12424	0.7
527.28845	0.9
545.29602	2.6
601.41248	2.3
837.46124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.0
61.98695	0.3
63.64734	0.2
69.03329	1.2
71.01250	5.6
71.63943	0.2
72.99171	0.4
73.02836	1.0
78.95805	0.4
80.96400	0.3
83.01260	1.0
83.04904	1.1
84.02037	2.9
85.02822	2.2
87.00758	1.1
89.02320	2.9
90.60635	0.2
95.01254	0.4
95.04900	0.4
96.96864	0.4
97.02850	1.1
97.06464	4.6
98.19774	0.8
99.00756	0.5
99.04393	0.6
101.02329	5.2
103.08500	0.3
111.00729	0.3
111.08068	0.3
113.02354	2.4
115.03912	0.4
119.03391	1.3
125.09595	0.8
133.04971	0.9
136.78563	0.3
137.09622	0.5
143.03445	0.7
145.04971	1.0
149.13286	0.3
151.11165	0.4
157.04964	0.4
161.04486	2.4
163.03050	0.3
165.12831	0.5
171.10185	7.3
172.10625	0.3
177.12851	0.4
179.05559	0.6
183.13750	1.3
185.11800	0.3
193.12262	6.5
197.11848	0.4
197.15353	0.4
209.11783	0.9
211.13376	2.1
221.11763	0.6
225.14923	8.7
226.15184	0.6
229.50867	0.4
235.08205	13.1
236.08446	0.3
243.16025	4.4
253.09283	15.9
254.09583	0.6
273.18610	0.4
275.20142	0.4
277.21729	100.0
278.22083	7.6
291.19623	1.4
305.21194	0.9
323.22324	1.7
341.23315	74.6
342.23654	7.0
342.27527	0.5
513.30359	0.6
559.31592	0.6
577.32288	1.1
601.44836	3.3
602.44879	0.7
698.64661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.6
61.98708	5.3
71.01276	5.4
71.54298	2.7
81.03373	1.8
83.04911	2.6
85.02831	1.9
88.57763	1.9
89.02324	4.2
90.82289	1.8
93.03351	4.5
96.95959	3.7
101.02325	5.1
109.02853	2.5
113.02421	1.8
116.92754	6.5
121.02860	6.7
122.03627	11.6
125.02364	4.6
135.04390	2.3
136.01578	16.6
136.93593	1.8
137.02370	24.3
146.03618	3.1
149.02350	26.0
149.05927	2.0
150.03157	58.4
151.00281	7.7
151.03964	22.7
153.05472	1.8
164.01123	3.0
164.04710	6.7
165.01875	91.2
165.05505	60.5
166.02640	20.2
166.05821	2.1
167.03474	2.6
177.01805	3.3
177.05539	3.1
178.02504	2.2
179.03438	21.8
179.07072	8.1
180.04218	62.2
181.04994	32.4
183.24399	2.0
191.05559	3.5
194.05821	5.7
195.02786	3.0
195.06596	100.0
196.06973	5.2
205.05074	2.2
209.08160	7.3
209.11812	27.5
210.05339	10.8
210.12169	16.2
211.12383	7.1
220.07437	2.4
225.07677	54.3
227.12825	5.1
228.13161	3.0
240.24663	1.9
262.59198	2.0
357.05371	1.7
358.09860	2.2
373.12891	3.3
387.14587	14.4
388.14774	2.0
397.13263	5.0
399.14069	3.8
403.14130	10.4
404.14343	2.4
417.15460	12.4
418.15976	2.0
451.15976	3.4
565.21008	18.9
594.20618	2.3
595.21661	12.8
596.21960	3.6
613.22833	5.4
693.02765	2.1
743.27338	10.2
773.28412	2.9
820.41449	2.4
839.31311	2.6
870.43713	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	839.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	33.6
69.24873	5.1
69.25294	8.0
71.01257	24.3
72.99194	2.3
82.02888	1.9
85.02816	6.5
89.02323	15.0
94.02862	26.5
96.04468	1.3
98.19794	2.5
101.02325	11.8
106.06531	8.2
108.04426	2.5
113.02356	6.6
119.03432	3.8
120.08069	15.3
122.06010	5.1
124.64144	1.4
132.04465	2.8
134.06010	35.2
137.04692	1.7
138.05510	5.8
142.45224	1.4
150.05498	2.1
152.07074	9.2
152.13377	1.4
158.02463	1.9
161.04607	2.2
161.81554	1.5
174.05537	1.8
174.09320	1.5
190.05040	5.3
191.05496	4.4
223.08714	5.3
237.10284	7.4
238.10921	2.4
239.11885	6.8
249.06618	3.4
249.10472	3.2
251.08269	4.3
251.11893	6.3
252.12675	2.6
263.08264	6.8
263.11819	3.7
264.09073	9.6
264.12515	1.3
265.09756	10.7
267.11389	2.2
276.09094	3.3
277.09732	8.0
278.10452	3.7
279.11401	28.4
280.11932	4.9
281.09818	1.6
281.12918	3.4
291.11380	7.0
292.12125	3.8
293.12796	3.4
294.13766	1.6
305.09247	3.5
314.12833	1.8
318.09894	1.7
323.10379	3.7
324.11093	5.0
326.12241	2.1
337.12097	2.8
355.12921	1.7
370.15427	2.0
376.16565	1.8
384.17133	4.5
418.21924	2.0
426.18149	2.2
427.19080	2.2
431.17911	1.8
444.19196	4.4
445.19858	2.1
447.09106	2.2
462.20398	3.6
471.17920	4.4
472.18851	4.8
473.19434	3.2
488.18652	1.6
490.19830	8.3
491.20346	2.1
606.25000	3.1
636.36407	1.8
650.23834	4.7
651.24426	6.0
682.26013	6.8
747.28729	23.1
748.29492	4.9
779.17047	1.8
779.31482	35.4
780.31598	6.6
789.29822	16.5
790.30902	1.9
807.30969	100.0
808.31342	21.4
821.32697	9.5
822.32983	2.7
839.33600	33.2
840.33453	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	839.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.2
61.98705	5.9
62.90229	0.6
69.03316	0.9
71.00938	0.8
71.01257	7.1
72.99205	0.8
73.02808	1.1
80.96387	1.1
81.95190	0.7
83.01263	0.9
84.19241	0.5
85.02834	5.2
87.00752	2.1
89.02322	3.8
90.06821	0.5
91.03848	0.7
94.46602	0.6
95.04894	0.7
96.95902	0.9
97.06475	3.7
98.20184	4.6
98.92988	0.6
101.02329	5.2
111.04425	0.7
113.02337	3.4
119.03355	0.9
125.02323	0.8
125.09580	0.9
127.11175	0.9
129.91783	0.7
137.09633	1.2
143.03377	1.1
145.06148	1.1
155.10698	1.0
161.04543	3.1
167.10666	0.7
171.10194	13.0
177.12747	0.7
179.05606	0.8
183.13860	1.7
185.11641	1.4
193.12253	1.1
195.13838	7.1
209.11804	1.9
211.13353	14.3
212.13673	0.9
221.11729	2.2
223.13373	5.2
229.14436	9.7
230.14732	0.9
235.08221	6.7
239.12801	1.5
253.09277	33.1
254.09669	1.8
256.13269	0.7
261.74475	0.7
265.21939	0.8
275.20160	5.8
291.19727	4.9
292.20221	1.0
293.21237	100.0
294.21609	9.1
300.15656	0.7
309.20770	5.3
309.24060	1.0
316.20679	0.7
327.21774	68.0
328.22141	7.4
509.78418	0.7
519.56360	0.8
529.30304	1.6
545.29858	1.5
563.30457	3.9
578.14398	0.7
603.43048	3.9
607.60956	0.6
609.20288	0.7
671.32928	0.8
759.31293	0.7
779.84625	0.7
839.42786	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	841.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24614	0.2
61.98689	0.3
62.81548	0.2
73.02825	3.6
74.07337	0.2
74.97501	0.2
75.00743	0.6
78.68428	0.2
80.98502	0.2
99.00764	0.8
99.92464	9.1
100.92472	0.6
103.75247	0.2
114.93304	0.5
116.92749	100.0
116.97155	0.8
117.01828	6.2
117.91920	0.3
117.92755	5.3
209.11736	0.4
229.33983	0.2
277.21829	0.2
317.87991	0.3
322.45209	0.2
420.13190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24614	0.2
61.98689	0.3
62.81548	0.2
73.02825	3.6
74.07337	0.2
74.97501	0.2
75.00743	0.6
78.68428	0.2
80.98502	0.2
99.00764	0.8
99.92464	9.1
100.92472	0.6
103.75247	0.2
114.93304	0.5
116.92749	100.0
116.97155	0.8
117.01828	6.2
117.91920	0.3
117.92755	5.3
209.11736	0.4
229.33983	0.2
277.21829	0.2
317.87991	0.3
322.45209	0.2
420.13190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.2
61.98699	4.0
63.96104	1.5
65.83034	0.9
69.03353	1.1
71.01252	10.0
71.54026	1.4
73.02791	1.6
78.95791	6.0
78.98470	9.7
79.95611	18.9
80.96393	100.0
81.03294	0.9
82.95982	4.0
85.02822	3.4
87.00740	3.8
94.97968	19.8
96.95911	2.1
96.96826	1.0
97.02829	1.6
101.02319	3.3
106.97962	5.2
120.72182	0.9
122.97498	5.9
125.02322	3.0
127.03902	1.8
134.97453	5.4
148.99065	7.2
152.98500	4.5
152.99588	2.0
164.97278	1.5
164.98547	13.5
192.84534	1.2
196.90494	1.0
206.99600	1.7
209.11761	1.1
225.00708	17.2
226.00987	1.4
241.01112	1.3
255.23187	1.3
277.21936	1.0
279.23389	2.9
552.35962	1.0
561.27063	1.5
737.05731	1.1
841.51239	86.4
842.51654	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
61.10997	0.1
61.98681	0.1
65.00181	0.5
69.03310	0.1
71.01254	0.7
71.54192	0.1
72.99207	0.1
73.02821	0.1
81.03330	3.1
83.01254	0.9
83.04906	0.2
85.02826	0.2
89.02334	0.5
89.94859	0.1
93.03333	0.4
95.01268	0.2
96.95885	0.2
99.08033	0.3
101.02327	0.4
101.05985	0.3
107.01250	0.5
113.02315	0.4
117.03344	1.3
119.03487	0.2
119.04919	4.5
120.05274	0.2
121.02841	0.4
121.06458	0.1
122.03625	1.5
123.04395	0.3
123.08050	1.4
125.02339	6.2
125.05982	3.0
126.02721	0.1
131.04933	0.2
131.81561	0.1
132.05707	0.3
133.06499	1.5
134.03593	0.1
135.04524	0.1
137.09627	0.1
139.03914	0.2
141.09119	0.3
145.02853	7.5
146.03214	0.3
147.04431	1.2
148.01593	0.1
149.02345	0.8
149.05946	0.2
151.00285	1.1
152.00986	0.1
159.04362	0.1
161.05998	3.3
162.03096	0.1
162.06490	0.1
163.03926	5.8
164.04178	0.2
165.09128	22.0
166.02679	0.1
166.09451	1.1
167.03397	0.3
167.07056	0.2
176.04710	0.1
177.05481	1.9
179.03386	0.1
179.05528	0.1
187.03960	0.3
190.02664	0.1
191.03442	0.1
191.05573	0.1
191.07051	0.9
198.15039	0.1
205.05011	4.0
205.08679	0.3
206.05292	0.2
209.08139	100.0
210.08466	5.4
233.08183	0.5
235.06096	3.6
236.06372	0.1
246.36583	0.1
251.09200	0.9
265.07175	6.0
266.07605	0.4
307.08249	0.2
325.09268	2.6
326.09482	0.2
327.10901	0.8
371.13455	12.5
372.13797	1.0
414.50613	0.1
470.26172	0.1
473.14563	2.9
474.14893	0.4
610.55090	0.1
683.37103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	72.0
60.01590	0.8
70.50093	0.5
71.01259	56.6
71.09531	1.0
72.01590	0.7
72.99192	6.1
72.99577	0.8
73.02825	1.1
75.39487	0.5
83.01275	1.5
84.36826	0.5
85.02826	10.9
87.00751	3.1
89.02323	62.7
90.02663	1.1
92.17118	0.5
95.01265	4.3
99.00735	0.8
101.02332	26.1
107.58367	0.5
113.02338	22.0
114.02636	0.5
119.03403	25.6
119.04813	1.0
125.02327	0.9
127.42235	0.5
131.03452	3.0
135.04453	1.1
143.03410	6.5
147.04433	100.0
148.04765	4.1
149.04498	1.9
161.04494	7.1
165.04059	0.5
179.05550	32.7
180.05846	0.9
183.72217	0.5
191.05528	1.1
244.32901	0.6
327.10864	73.4
328.11246	6.6
338.92068	0.5
372.53821	0.5
382.05148	0.6
474.47452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.8
59.43333	1.4
60.99172	4.1
61.18789	1.6
61.98703	88.3
70.89322	1.3
71.01260	4.6
71.54169	2.4
72.99171	4.9
73.44011	1.5
75.00727	3.6
81.03308	2.0
83.04893	2.9
87.00736	2.5
88.98674	14.3
89.02319	3.0
101.02321	4.3
107.38885	2.0
113.02271	1.9
116.92725	3.0
163.11180	8.6
165.12689	2.5
185.11687	2.8
191.05763	1.7
191.14355	4.4
207.10284	1.5
209.11771	100.0
210.12079	5.0
211.13345	3.0
212.99667	1.4
225.11157	2.0
227.12862	12.6
235.08098	3.2
245.18982	4.8
253.09380	7.8
263.20233	2.3
289.18069	28.0
290.18387	3.2
307.19189	20.5
308.19565	2.5
379.87286	1.7
398.65704	1.6
782.59668	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	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.4
60.99165	1.0
61.98707	27.7
63.51172	0.8
69.03288	1.3
71.01253	12.6
71.54719	1.2
72.99162	1.2
73.02795	1.8
73.92895	0.8
75.00734	3.6
83.01265	1.1
85.02813	3.2
87.00748	2.8
88.98662	5.1
89.02319	8.5
95.04897	1.8
97.02821	2.4
97.06470	14.2
99.00716	1.2
100.56467	0.7
101.02328	9.0
104.88213	0.8
113.02320	3.6
119.03409	1.8
123.08059	8.0
125.02329	3.9
125.09615	99.0
126.09949	3.0
126.56204	0.7
143.10640	1.4
144.70206	0.8
161.04408	1.0
169.08595	3.1
169.14529	0.8
179.05453	2.0
187.09682	66.9
188.10028	2.7
209.11763	1.1
221.04782	0.8
221.06575	4.1
231.11618	0.8
235.08168	0.9
261.13562	1.1
277.21738	12.2
278.22049	1.0
374.28720	0.9
397.13379	1.4
415.14554	1.1
567.22906	3.0
585.23822	5.6
699.72955	0.8
729.27527	1.0
819.39221	0.9
845.45374	100.0
846.45831	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	845.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.3
61.98698	5.0
62.69716	0.7
69.03346	1.7
69.23706	6.2
71.01253	13.9
71.04910	0.7
72.36192	0.7
72.99181	0.9
73.02814	3.2
80.02539	0.9
83.01252	2.4
83.04874	1.2
85.02840	3.8
87.00751	4.9
88.98676	1.9
89.02316	9.0
95.01252	1.4
95.04890	1.6
97.02829	2.4
97.06464	14.6
98.19993	3.0
99.00747	1.2
101.02322	9.2
105.01857	1.1
113.02327	4.6
116.92738	0.7
119.03379	2.1
123.08048	7.8
125.02319	2.2
125.09615	72.0
126.09927	2.6
143.03345	1.0
161.04471	1.6
169.08594	1.7
179.05511	1.0
187.09688	35.3
188.09995	2.0
209.11716	0.9
221.06570	1.5
226.74564	0.8
235.08189	1.0
273.17111	1.1
277.21707	26.0
278.22064	3.1
278.24731	0.8
293.21030	0.9
297.76825	0.7
397.13504	5.7
403.57385	0.8
415.14575	1.2
567.23029	2.8
585.23962	2.8
827.43146	0.8
845.45355	100.0
846.45599	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.1
61.98700	0.7
65.03832	1.0
69.03348	0.8
71.01263	4.1
71.54158	0.6
72.99161	1.0
73.02821	13.8
75.00748	1.1
78.95798	0.7
80.02546	0.5
81.03336	3.5
83.01259	0.6
83.04902	8.4
84.02038	0.6
85.02821	3.0
87.00758	1.9
89.02312	1.3
93.03342	36.7
95.04913	0.7
99.00774	4.0
99.04407	3.7
101.02328	2.1
109.02824	1.2
109.06451	0.7
111.00804	0.6
111.04417	10.6
112.98688	0.6
113.02315	1.6
115.00262	2.4
119.03397	0.5
121.02831	0.7
125.02348	0.6
129.01831	2.2
137.02356	9.2
143.03407	2.8
155.03410	4.5
159.02760	0.5
161.04427	0.8
163.11189	2.1
165.12772	1.4
171.10193	1.1
173.04482	32.3
174.04808	0.8
175.02415	2.6
179.05609	0.7
191.05507	0.7
191.10716	0.8
209.11780	100.0
210.12128	6.8
211.13391	0.6
225.11267	0.7
227.12852	18.2
227.29172	0.5
228.13202	1.0
235.08154	1.5
253.09328	6.3
270.67163	0.5
331.80408	0.5
397.13260	0.6
445.20566	2.5
463.21613	0.6
495.61313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	6.4
63.96102	1.8
67.23037	0.8
69.03350	1.0
71.01258	9.8
71.37575	1.0
71.37944	1.5
73.02809	2.6
78.98467	7.5
79.95607	18.3
80.59283	0.9
80.96394	100.0
81.03355	1.1
82.95937	1.1
85.02810	2.6
87.00746	4.2
94.97376	1.7
94.97962	21.9
96.95878	1.8
97.02831	1.7
99.00758	1.2
101.02327	2.7
106.97976	4.5
122.97443	5.6
125.02335	3.4
127.03918	1.6
134.97490	7.2
136.99010	2.0
140.88664	0.9
148.99068	8.2
152.98526	7.9
155.13280	1.0
157.08910	1.0
157.80527	1.0
164.97252	1.3
164.98557	14.2
203.37541	0.9
206.99672	3.7
225.00694	23.5
255.23425	1.8
410.21832	0.9
410.84854	1.0
447.10892	1.2
536.80463	1.0
591.24945	1.6
592.23938	0.9
681.30981	1.0
847.48798	75.7
848.49164	21.2
871.03583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.1
61.98707	100.0
62.98411	0.1
69.03300	0.1
71.01270	0.3
71.24557	0.2
73.02818	0.7
75.00735	0.2
79.95598	0.1
80.96400	0.2
81.03352	0.2
83.04905	0.3
83.22553	0.1
85.02848	0.2
88.98717	0.2
89.02332	0.2
93.03347	2.4
99.00780	0.3
99.04409	0.2
101.02351	0.1
109.02831	0.1
111.04404	1.0
115.19036	0.1
125.02407	0.2
129.01874	0.1
137.02353	0.6
137.03271	0.1
143.03467	0.2
155.03455	0.4
160.25000	0.1
164.82362	0.1
167.03459	0.1
173.04486	3.6
209.11838	0.2
212.28120	0.1
235.08243	0.1
277.21735	0.4
283.51370	0.1
332.82651	0.1
397.13510	0.7
415.15082	0.1
555.52081	0.1
632.59875	0.1
736.52893	0.1
849.40845	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	849.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.8
59.96174	1.3
60.10911	1.2
62.96738	1.1
65.97997	1.1
71.01260	6.1
71.04916	1.7
71.54459	1.7
72.99195	1.2
73.02827	1.0
79.05416	1.4
83.04919	2.1
85.02843	1.5
87.00766	1.5
87.28740	1.0
89.02314	1.7
93.03345	3.1
95.04905	2.3
97.02826	8.1
101.02339	1.9
102.37848	0.9
105.06989	1.2
107.04888	3.2
108.05701	4.7
109.02842	5.2
109.06467	3.2
111.04417	9.5
111.24473	1.0
113.05972	6.7
114.89758	0.9
115.00306	1.3
118.85599	0.9
119.08540	3.5
121.02821	5.1
121.06499	2.2
121.90808	1.1
122.03632	20.4
123.04359	1.2
123.08070	6.6
124.01542	1.3
125.05997	10.7
133.02838	1.6
135.04420	1.6
135.08054	2.6
136.05197	10.8
137.06020	5.1
137.09554	1.4
138.06778	17.2
139.07564	25.8
140.07811	1.1
148.05197	6.3
149.02348	31.5
149.05934	2.6
150.03142	90.6
151.03587	4.2
151.07561	51.2
152.04736	5.8
152.08347	25.7
153.05513	1.1
153.09146	7.4
156.42572	1.0
159.11732	2.1
161.09619	4.2
163.03899	1.4
163.07593	9.2
164.04733	11.6
165.05495	100.0
166.05821	3.2
167.07039	2.5
171.10178	1.1
175.02397	2.8
177.01917	1.5
179.07089	2.3
179.47827	1.3
180.04243	8.1
183.11717	1.6
185.09639	2.2
189.09125	3.4
195.06577	77.7
196.06886	4.3
201.12791	15.7
202.12991	1.2
203.10732	13.0
204.11511	36.5
209.11804	1.9
219.13855	50.4
220.14194	3.8
227.12871	2.5
263.12885	44.8
264.13208	2.8
270.09024	1.7
299.09262	2.0
311.09326	1.3
314.07971	1.8
327.12430	3.8
328.13260	8.1
329.10135	6.0
341.10236	7.8
343.15552	3.0
344.12650	9.6
345.13437	1.4
356.12738	4.9
359.15012	28.1
360.15250	2.6
371.14941	22.4
372.15320	2.2
461.15823	2.2
463.17255	1.8
492.17783	2.4
507.20346	7.6
508.20520	1.4
537.21283	78.4
538.21661	13.7
567.22760	1.7
585.23480	62.8
586.23743	12.5
762.20477	1.3
849.40869	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	849.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	12.9
61.98688	1.8
67.01738	1.2
68.99678	1.2
69.03320	2.2
70.52324	2.3
71.01253	19.1
71.04873	1.2
71.07417	0.9
72.99179	10.8
73.02805	3.3
75.00747	29.1
80.02517	1.9
81.03355	2.6
82.58706	0.9
83.01256	2.9
83.04898	9.3
84.02029	1.9
85.02827	9.1
87.00749	16.3
89.02332	6.5
93.03307	2.7
95.01244	1.0
95.04901	1.3
97.02841	2.5
99.00758	2.5
101.02332	8.0
102.05488	1.8
108.02087	1.1
109.02833	3.0
109.06452	1.6
111.04398	2.2
113.02301	5.0
115.00260	25.8
119.03376	1.6
123.04404	3.8
123.08033	1.2
125.02328	2.9
125.05888	1.2
125.09633	1.5
127.03892	2.1
128.03447	2.7
129.01810	1.3
135.02864	3.3
139.03813	1.6
141.01852	1.0
143.03419	1.5
143.04491	3.0
145.02858	1.5
153.09119	1.4
161.04456	1.4
161.09557	1.3
162.06749	1.2
163.11192	5.0
165.12784	3.0
169.04878	1.2
169.12270	5.3
171.08789	1.7
171.10213	24.9
172.10469	1.7
175.02411	43.6
176.02666	2.4
179.10616	2.7
179.14551	1.2
191.05505	1.5
191.10617	1.7
193.12277	1.7
195.13800	3.4
197.11774	40.4
198.11996	1.9
199.13255	1.3
207.10156	4.0
209.11775	100.0
210.12160	6.8
211.13339	2.0
221.11716	2.4
223.13272	2.2
225.11270	3.2
227.12851	12.3
231.05086	1.4
235.08176	1.5
235.13402	1.6
239.12976	6.4
241.14333	3.9
245.11864	1.7
249.82985	1.1
253.09192	5.7
267.12280	2.5
272.08862	1.6
281.13776	1.2
285.13455	9.5
301.21985	1.1
306.07666	6.9
397.13580	1.4
407.18924	1.3
445.20795	2.3
503.21475	3.5
521.22498	3.2
552.88513	1.3
687.32281	2.1
709.33734	1.7
713.33746	8.6
714.34235	1.8
727.32178	2.2
729.33307	6.6
731.21991	1.7
731.34869	35.8
732.35120	7.0
761.35376	1.7
771.34601	11.4
772.35004	2.4
789.35291	3.8
818.38721	1.3
831.35907	2.1
849.37769	39.7
850.38544	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	849.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.8
61.02259	1.3
61.98704	3.2
71.01267	13.8
72.99172	1.9
73.02821	3.6
78.95779	2.3
81.25654	1.5
83.01258	2.1
83.04872	1.2
85.02831	3.8
87.00761	3.4
89.02330	11.6
91.18086	1.4
93.44396	1.2
95.04893	1.6
97.02827	1.9
97.06476	4.1
98.19762	2.7
101.02337	11.0
108.46963	1.3
113.02333	3.5
119.03371	2.1
125.02367	3.8
131.45793	1.2
140.00035	1.3
143.03419	1.5
151.11183	10.1
158.92245	1.2
161.04491	1.8
169.12286	37.3
170.12636	3.0
213.11325	5.9
221.06621	1.5
235.08159	3.0
255.23297	48.4
256.23651	4.2
277.16199	1.4
397.13617	4.7
416.35007	1.4
470.94717	1.4
611.25323	1.9
665.18420	1.4
711.17889	1.4
849.48596	100.0
850.48889	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.1
61.91504	0.1
61.98706	100.0
62.49591	0.1
62.98408	0.2
71.01263	0.4
71.08846	0.2
71.58162	0.1
78.95784	0.1
80.96399	0.2
94.97977	0.1
96.95910	0.2
125.02463	0.1
158.63814	0.1
158.73468	0.1
171.10202	0.1
191.05637	0.1
209.11858	0.3
211.32071	0.1
225.00816	0.1
278.82535	0.1
353.30347	0.1
850.40576	0.1
851.40668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.1
61.98705	100.0
65.94138	0.1
69.27367	0.1
69.27773	0.6
71.01270	0.5
72.99192	0.1
78.95786	0.2
79.95596	0.1
80.96400	0.3
89.84985	0.1
96.95909	0.3
98.19845	0.2
109.06423	0.1
118.19520	0.1
152.13242	0.1
171.10254	0.2
182.93115	0.1
188.82983	0.1
198.41243	0.1
207.10381	0.1
209.11763	0.7
225.00746	0.1
225.11353	0.2
395.42899	0.1
721.46051	0.1
850.40271	0.1
851.40240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
61.98705	100.0
62.98405	0.2
71.01265	0.3
74.29189	0.1
75.00758	0.2
78.52381	0.1
78.88457	0.1
78.95788	0.5
80.96400	0.3
91.02242	0.1
96.95912	0.4
96.96860	0.3
126.84056	0.1
128.03548	0.2
157.18016	0.2
173.04488	0.1
175.25337	0.1
190.57605	0.2
207.09979	0.1
209.11758	0.3
211.13327	0.3
225.11414	0.2
460.64102	0.2
673.63672	0.2
819.39734	0.2
850.39789	0.3
851.40417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.55
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
61.98694	0.5
65.03829	1.1
65.84985	0.4
69.03337	1.0
71.01258	3.5
71.04903	0.6
72.99168	0.7
73.02819	20.8
81.03324	3.6
83.04896	9.5
83.17865	0.5
83.18397	0.4
84.02040	0.4
85.02821	4.1
93.03338	63.8
94.03682	1.5
96.34700	0.4
96.95908	1.0
99.00758	7.2
99.04395	7.3
101.02327	1.1
109.02834	2.4
111.00764	0.6
111.04403	23.0
112.04713	0.4
113.02376	0.6
129.01855	2.4
137.02342	17.3
138.02716	0.7
143.03421	3.4
155.02409	0.3
155.03404	11.6
173.04471	100.0
174.04840	2.4
189.93484	0.4
191.05537	1.0
225.16077	1.0
229.59058	0.4
430.61426	0.7
677.49707	17.8
678.49750	4.0
851.55493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	37.7
62.64603	2.8
62.74851	2.8
69.03339	4.8
69.77509	7.1
69.77900	7.4
71.01260	22.6
71.04885	3.6
73.02834	3.8
78.95790	8.6
80.91570	7.0
80.96447	3.0
83.01323	3.4
83.04925	4.3
84.02036	2.5
85.02815	14.2
87.00723	3.5
89.02323	6.7
96.95892	20.8
96.96827	5.6
97.02843	5.7
97.06474	8.9
98.95502	3.7
99.00781	4.8
101.02309	13.7
109.06478	15.5
111.08063	13.9
113.02328	10.0
119.03423	3.9
125.09595	3.7
137.09589	5.9
151.11211	5.6
153.09102	5.7
161.04504	6.4
163.11206	5.6
165.12759	6.4
169.12289	10.2
171.10204	28.1
172.10545	3.3
181.12346	6.5
183.13870	4.6
183.71762	3.3
185.11801	4.5
191.14368	6.2
197.11781	86.3
198.12056	5.0
199.13312	8.6
209.11829	45.8
211.13376	41.0
227.12895	10.3
229.14473	7.0
235.08150	18.0
235.13382	5.9
237.15002	4.2
245.19073	7.4
251.95563	3.2
253.09279	56.7
263.20172	11.8
289.18085	46.8
291.19736	25.4
293.21344	3.6
307.19168	74.8
309.20721	100.0
310.21124	9.5
325.20230	65.3
326.20538	8.0
327.21811	75.8
328.22086	8.2
364.61368	2.8
445.20773	7.0
519.33868	3.7
525.27576	3.4
543.28455	14.1
561.29492	4.6
563.30774	4.6
647.11182	3.2
755.42902	4.2
835.49146	4.9
853.49860	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	854.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	67.8
69.82309	1.1
70.11464	3.9
71.01261	9.0
73.02816	1.9
73.35853	0.9
82.41171	0.9
83.01232	1.0
85.02840	4.1
87.00755	3.3
89.02318	7.0
96.95894	3.5
100.29388	1.0
101.02347	6.6
106.87872	1.0
113.02322	5.2
116.92722	7.1
119.03378	1.8
131.03400	3.4
140.66190	1.0
159.02739	0.9
161.04453	5.7
179.05576	1.8
197.11751	2.3
202.36716	1.1
209.11823	2.5
215.57631	1.0
221.06538	5.0
260.47040	1.0
277.21762	3.5
293.21198	2.0
404.28076	1.3
405.31534	9.6
423.32727	42.1
424.33032	6.2
447.30988	1.0
449.30591	12.1
450.30927	3.0
467.31674	31.6
468.32077	5.6
502.63409	1.2
660.75848	1.4
671.37665	1.6
791.42242	100.0
792.42645	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81954	0.7
61.98701	1.0
69.03327	1.1
71.01255	16.2
71.53783	0.7
72.99185	1.9
73.02827	2.2
73.20921	0.8
78.95799	1.4
79.88252	0.8
79.95676	0.7
83.01254	2.3
83.04932	0.8
85.02827	4.8
87.00757	4.0
89.02325	13.6
93.35012	0.7
95.01252	0.8
96.95911	6.7
96.96847	1.5
97.02825	2.2
99.00758	1.3
101.02322	10.7
110.49734	0.8
113.02333	7.5
114.02744	0.8
114.93285	2.2
116.92746	2.3
119.03388	3.3
125.02385	5.0
131.03438	1.1
143.03419	3.1
153.12779	1.2
161.04471	2.7
167.33249	0.7
168.52715	0.7
169.12236	7.1
179.05574	4.0
195.10199	0.8
197.11771	100.0
198.12090	5.3
209.11787	1.1
217.07236	0.8
235.08182	5.4
250.19717	0.8
263.07596	0.9
277.21719	51.1
278.22067	5.0
287.07874	1.4
305.08774	2.3
322.35858	0.7
323.09723	1.5
379.12546	8.1
397.13519	36.8
398.13861	3.0
415.14594	7.5
416.15024	0.9
577.24854	2.8
595.26282	4.0
855.47229	1.1
877.14276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	1.6
71.01260	16.9
71.54111	0.4
72.99183	1.5
73.02837	3.0
75.00750	0.6
81.03345	0.9
83.01254	2.0
83.04902	0.6
85.02840	4.2
87.00771	4.8
87.04408	0.6
89.02329	15.8
95.01277	1.5
97.02844	2.8
99.00767	1.0
101.02332	12.7
111.00772	0.6
111.04448	0.6
113.02347	7.0
114.93311	0.6
119.03400	4.3
125.02351	6.8
127.03912	0.5
129.01863	0.4
131.03415	1.7
139.03915	0.6
141.01833	0.7
143.03424	2.6
151.11179	0.4
153.09149	0.6
153.12801	1.3
161.04491	3.4
167.03484	0.5
169.12274	6.1
179.05568	4.6
179.10716	0.8
180.02678	0.4
197.11786	100.0
198.12134	5.7
199.06055	0.8
209.11768	1.1
217.06963	0.6
221.06668	2.1
227.12857	0.5
235.08231	4.8
239.12859	0.4
253.09268	1.1
259.08173	0.5
263.07736	0.5
277.21750	55.7
278.22104	4.8
287.07709	2.1
305.08871	1.6
323.09848	1.5
379.12527	8.6
397.13544	38.4
398.13889	3.1
415.14606	7.9
416.14975	0.9
492.13779	0.4
565.29968	0.5
577.25073	2.1
595.25726	2.3
675.35730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	10.6
69.03313	2.3
71.01268	8.3
71.41045	1.5
71.92254	1.0
73.02805	2.1
78.95772	3.5
85.02818	6.2
87.00764	1.6
88.98636	1.3
89.02325	4.9
94.89018	1.0
96.95898	9.7
96.96832	1.8
97.02858	1.6
97.06486	4.0
98.95461	1.6
101.02302	5.8
111.08046	10.8
113.02329	3.8
119.60987	1.3
127.11190	2.4
137.09637	1.7
155.10716	1.8
161.04527	3.9
167.14265	1.2
169.12253	4.6
171.10188	23.4
172.10574	1.1
179.05447	1.4
181.12218	1.6
183.13878	5.1
185.11760	1.4
193.12308	1.8
197.11771	51.9
198.12067	2.4
199.13327	3.3
209.11752	4.0
211.13354	23.4
212.13710	1.6
221.11795	3.3
227.12846	1.4
229.14404	14.3
235.08176	5.2
239.12866	2.2
253.09265	37.0
254.09662	2.1
263.20123	3.3
291.19675	20.7
292.19989	1.8
293.21136	1.3
309.20724	91.9
310.21008	10.6
327.21771	100.0
328.22171	8.5
343.21118	2.1
494.08264	1.5
545.29865	1.7
563.30750	5.5
619.42261	4.2
620.43024	1.5
830.23560	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	861.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.4
68.20297	0.1
69.03346	0.2
71.01257	0.6
71.54230	0.2
73.02827	0.2
81.03363	0.2
83.04908	0.3
85.02823	5.8
87.00745	1.5
93.02761	0.3
93.03338	3.4
99.04379	0.2
104.10317	0.1
109.02842	0.9
111.04417	1.0
117.03368	0.2
119.04929	0.7
127.03902	2.0
145.02789	0.9
153.01839	0.1
163.03926	1.2
171.02982	0.4
173.04442	1.4
180.90672	0.1
191.05540	100.0
192.05882	3.4
273.16583	0.2
337.09277	26.2
338.09628	2.3
472.91278	0.2
551.12811	0.2
553.84644	0.2
582.83759	0.2
681.24756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23017	0.5
66.95818	0.4
70.94188	1.0
93.03326	0.6
96.95878	0.5
97.07762	0.4
107.01289	0.8
109.02831	0.5
121.64993	0.5
124.15052	0.5
125.02362	0.8
135.00734	0.6
151.00208	0.7
159.04456	0.5
163.00256	0.9
178.99716	0.5
183.04347	0.7
185.06017	1.0
187.03889	0.8
189.05457	0.5
197.06044	0.7
199.03827	0.7
211.03964	1.2
213.05460	0.8
227.03445	31.0
228.03886	2.1
229.05077	5.6
239.03487	1.1
240.04185	0.6
241.04942	0.8
255.02971	44.5
256.03580	7.1
257.04507	3.0
284.03262	47.0
285.04019	50.9
286.04370	4.0
431.09821	100.0
432.10178	10.3
680.55048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76345	7.0
71.53576	16.4
78.95783	83.5
81.95524	7.7
96.96841	16.9
112.23492	7.5
124.70313	7.3
152.99571	13.2
160.84225	8.8
183.26212	8.6
197.11760	10.3
241.01173	25.0
255.23264	28.8
319.69128	8.1
350.94772	9.1
454.48151	8.2
457.77475	9.5
513.75879	9.0
863.49188	100.0
864.49750	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20328	0.3
69.03329	1.0
71.01259	16.4
72.99185	1.3
73.02817	2.5
75.00755	0.4
76.71890	0.3
80.02554	1.1
81.03337	1.9
83.01258	1.8
83.04898	4.6
84.02029	0.7
85.02834	3.5
85.99988	0.3
87.00752	4.6
89.02319	15.0
93.03334	0.4
93.17677	0.3
95.01266	1.3
95.04913	1.0
97.02836	3.4
99.00756	0.6
101.02328	12.0
102.46295	0.3
109.06467	0.4
111.00715	0.3
113.02331	7.6
119.03398	3.9
121.78152	0.3
125.02345	6.5
125.05954	0.4
126.71221	0.3
131.03403	0.7
133.04948	0.6
135.08124	0.7
139.03979	0.5
141.01817	0.6
143.03427	2.2
149.04443	0.4
161.04477	2.8
163.11217	3.8
165.12784	1.9
167.03426	0.6
179.05533	3.3
181.12294	0.7
184.44353	0.3
191.10735	1.0
199.06013	0.5
209.11775	100.0
210.12144	5.6
217.07062	0.7
219.04774	0.3
221.06685	1.1
227.12839	12.8
228.13245	0.9
235.08229	4.7
236.08427	0.4
251.12804	0.4
253.09306	0.9
255.23276	54.6
256.23630	4.8
269.24863	0.4
287.07648	1.6
305.08804	1.8
323.09818	1.0
379.12488	7.4
380.13052	0.3
397.13513	37.7
398.13882	2.9
415.14612	9.1
416.15024	0.9
475.30490	0.3
598.85815	0.3
607.25494	0.6
635.36316	0.5
653.37726	1.5
787.71375	0.4
856.99341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41414	0.2
69.03322	1.0
70.29637	0.6
71.01256	16.1
72.99183	1.5
73.02823	3.1
73.47018	0.2
75.00756	0.4
80.02547	1.2
81.03348	2.1
83.01260	2.2
83.04899	4.6
84.02044	1.0
85.02833	3.7
86.86889	0.2
87.00755	4.9
89.02319	13.8
93.03368	0.5
95.01254	1.1
95.04908	1.0
97.02829	2.8
97.06441	0.3
99.00734	0.8
99.04411	0.4
101.02328	12.7
108.02025	0.3
109.02812	0.3
111.00758	0.4
111.04407	0.6
113.02338	6.7
113.71741	0.2
119.03397	3.6
121.02890	0.3
125.02335	5.5
125.05967	0.5
127.03913	0.3
131.03354	0.8
132.08351	0.2
133.04932	0.4
135.08046	0.6
139.03874	0.5
141.01860	0.6
143.03406	2.0
145.04945	0.3
149.04463	0.4
161.04466	3.1
163.11209	3.8
165.12767	2.2
166.13156	0.3
179.05530	3.2
181.12224	0.6
191.10713	1.0
195.90186	0.2
199.06067	0.6
203.05531	0.5
207.10226	0.3
209.11777	100.0
210.12126	5.7
217.07179	0.9
221.06581	0.8
227.12848	12.1
228.13206	0.7
235.08220	5.1
245.06659	0.3
251.12756	0.4
253.09338	0.7
255.23279	55.2
256.23605	4.4
259.08215	0.7
263.07703	0.6
269.24927	0.7
287.07666	1.5
297.24475	0.4
299.14410	0.3
305.08762	1.7
319.10242	0.2
323.09772	1.0
361.11450	0.3
379.12454	6.6
379.16974	0.5
380.12732	0.8
397.13507	36.4
398.13937	2.9
415.09039	0.5
415.14569	8.2
416.15024	0.8
587.09552	0.3
589.25165	0.7
607.26068	0.8
635.36255	0.4
653.37860	1.2
654.37671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	0.7
66.83617	0.3
69.03338	0.7
71.01261	14.6
72.01578	0.3
72.99197	1.5
73.02824	2.3
75.00771	0.7
80.02550	1.1
81.03341	2.3
83.01252	1.9
83.04899	5.0
84.02043	0.6
85.02845	3.6
87.00754	3.4
89.02329	11.7
95.01277	1.4
95.04897	1.0
97.02834	2.7
99.00790	1.0
101.02332	11.0
105.01826	0.9
109.02857	0.6
111.04406	0.8
113.02346	6.5
115.03898	0.3
119.03405	3.1
121.02886	0.5
123.04380	0.3
125.02351	5.7
125.06020	0.5
131.03397	0.6
133.05005	0.4
143.03427	2.3
148.86057	0.5
149.04530	0.5
161.04453	3.7
163.11208	4.2
165.12802	2.5
167.03438	0.5
179.05594	3.2
181.05064	0.4
181.12308	0.7
191.10727	1.2
199.06160	0.4
199.13359	0.8
209.11795	100.0
210.12144	6.2
217.07185	0.8
221.06673	1.6
225.11267	0.6
227.12874	17.2
228.13203	1.2
235.08205	4.0
251.12773	0.5
253.09216	0.4
255.23306	42.1
256.23688	4.5
259.08371	0.4
263.07758	0.4
287.07602	1.8
301.09354	0.4
305.08640	1.8
323.09821	0.4
347.70764	0.4
379.12488	5.8
380.12677	0.4
397.13553	31.8
398.14069	2.5
400.87332	0.4
415.14633	6.8
416.15189	0.5
554.97986	0.4
589.25250	0.7
607.25867	1.4
608.26746	0.5
625.26837	0.5
635.36957	0.4
653.37726	1.0
863.49817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	32.7
63.96116	2.1
69.03307	2.5
71.01261	8.6
72.89420	1.4
73.02831	3.0
78.98466	10.6
79.95607	20.9
80.96392	95.9
85.02808	3.1
87.00747	4.6
94.97965	22.3
95.06857	1.4
97.02791	1.7
98.19730	2.2
101.02323	4.1
106.97986	3.6
109.98222	1.8
122.97485	4.3
125.02325	5.2
134.97469	9.7
136.99100	2.2
148.99060	9.8
152.98552	10.9
160.88815	1.5
164.98538	15.6
206.99532	4.0
209.89801	1.8
225.00696	27.4
255.23190	2.1
283.05023	2.0
290.37955	1.9
340.91650	1.7
442.92902	1.6
476.12881	1.7
537.27606	2.2
692.57813	1.9
865.49841	100.0
866.50287	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	100.0
69.45532	2.8
71.01276	0.5
78.98487	0.5
79.95610	1.9
80.96395	7.5
82.95956	0.6
93.76122	0.4
94.97961	1.6
96.72392	0.4
98.19798	0.8
122.16260	0.4
134.97482	0.6
148.99030	0.8
150.56407	0.4
152.98488	0.5
153.94933	0.4
164.98578	1.1
206.99663	0.6
225.00713	2.4
236.76312	0.5
237.66930	0.4
290.18427	0.4
357.49582	0.4
444.90314	0.4
865.50122	0.9
866.50214	13.3
867.50592	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	867.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91220	0.4
70.17295	0.7
70.17692	0.7
70.51891	0.3
70.52331	0.3
76.74438	0.3
81.03341	2.9
83.01283	1.8
88.03872	0.4
93.03334	2.7
95.94106	0.4
98.19919	0.5
107.01263	1.0
108.12965	0.3
119.04943	2.8
123.04427	10.1
125.02351	5.5
131.38063	0.4
135.00771	0.6
135.04416	0.7
143.04979	0.5
145.02994	0.4
149.02333	0.9
151.00299	1.8
159.04427	0.4
161.36720	0.4
163.00325	1.2
167.03427	31.7
168.03755	1.2
171.04385	0.7
179.03473	3.2
183.04527	0.5
185.06030	0.7
185.10373	0.4
187.03918	0.7
189.05528	0.9
191.03406	0.4
191.05479	0.4
197.06108	0.4
211.03981	0.9
213.05434	0.9
227.03467	28.0
228.03860	1.6
229.05057	4.2
229.08568	0.5
239.03448	0.9
241.05075	0.6
255.02995	40.2
256.03555	5.7
257.04446	3.2
267.03046	0.5
273.07706	48.1
274.08023	3.3
284.03281	53.6
285.04041	52.2
286.04385	3.7
290.44687	0.5
327.04950	0.7
375.21021	0.4
431.09848	100.0
432.10181	9.3
435.13022	6.2
436.13351	0.5
577.07159	0.5
811.31647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.0
63.70548	0.4
69.03342	0.6
71.00891	0.8
71.01253	9.0
72.10468	0.4
72.99181	0.7
73.02798	0.9
80.02548	1.4
81.03333	1.2
83.01285	1.4
83.04896	5.2
84.02032	0.8
85.02837	2.3
87.00743	1.9
89.02319	8.4
93.03306	0.7
95.01251	0.5
95.04932	0.7
97.02871	0.9
98.19756	1.1
99.00755	0.7
101.02332	5.2
109.02804	0.5
109.06519	0.5
113.02338	3.9
119.03413	2.6
125.02338	2.6
125.06103	0.5
125.09611	0.4
128.03453	0.7
129.01743	0.6
135.02887	0.6
135.07983	0.9
137.63649	0.4
143.03381	1.4
143.04446	0.7
147.62242	0.5
155.07829	0.4
161.04520	1.8
163.11179	4.2
165.12773	2.4
171.10059	0.5
179.05533	2.2
181.12321	0.5
191.10648	0.9
193.24454	0.4
199.13300	0.8
209.11772	100.0
210.12119	5.6
217.40018	0.4
221.06592	0.9
225.11356	0.6
227.12840	15.6
228.13100	0.9
229.34685	0.5
235.08205	2.3
239.47160	0.4
251.13083	0.6
259.15485	3.1
287.07938	0.6
306.07590	1.1
314.35611	0.5
323.09631	0.6
376.09265	0.5
379.12500	3.3
380.12848	0.6
397.13507	21.4
398.13922	2.0
415.14587	6.4
415.81342	0.5
507.06833	0.5
582.93420	0.5
589.25409	1.0
607.26080	2.0
799.37933	1.3
817.38367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	1.9
69.03328	0.8
69.76680	1.2
69.77075	0.9
71.01258	7.6
72.99188	1.1
73.02815	1.1
75.00749	1.4
78.95797	0.6
80.02544	1.3
81.03329	1.6
83.01246	0.9
83.04898	6.4
84.02041	1.0
84.05219	0.6
85.02364	0.5
85.02809	2.5
87.00753	2.4
88.98703	0.4
89.02318	7.7
95.01276	0.7
96.95863	0.7
97.02835	1.5
101.02325	6.2
113.02345	3.8
119.03406	1.4
125.02316	3.1
125.06018	0.5
128.03424	0.5
129.01848	3.6
130.02145	0.8
131.03418	0.6
135.02885	1.3
135.08049	0.5
136.84401	0.4
143.03391	1.2
143.04443	0.5
153.25241	0.4
161.04466	1.4
163.11191	4.4
165.12723	2.9
171.10191	0.9
179.05545	2.6
191.05566	0.9
191.10709	1.3
209.11777	100.0
210.12140	5.5
211.13368	0.6
221.06590	0.7
227.12840	16.4
228.13106	0.8
235.08234	2.5
248.63921	0.4
251.13066	0.8
253.09218	0.6
259.15475	3.4
272.08722	0.4
287.07507	0.6
305.08948	0.8
306.07553	0.9
323.09760	0.8
379.12381	2.9
397.13477	19.4
398.13687	2.0
415.14618	6.0
589.25183	1.0
607.26013	2.5
608.27557	0.4
799.37982	1.2
817.37842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	4.7
65.08141	0.9
69.03308	1.0
71.01258	17.9
71.60051	0.9
72.99182	1.4
73.02820	5.7
75.00726	1.1
78.95795	1.4
80.62360	0.9
80.96369	0.9
81.03344	1.7
82.74577	1.0
83.01258	2.8
83.04877	1.0
85.02822	5.2
87.00752	4.9
89.02319	15.7
93.03331	7.0
95.01279	1.9
97.02836	4.1
98.20362	5.9
99.00778	1.2
99.04340	1.1
101.02333	13.9
111.04394	3.1
112.45053	0.9
113.02330	9.5
116.92755	1.4
119.03385	3.2
121.02707	0.9
125.02344	7.4
127.11184	2.0
137.02335	2.3
143.03378	2.7
147.20711	0.9
161.04463	5.1
171.10184	100.0
172.10587	5.2
173.04488	10.4
179.05573	3.7
181.04729	1.1
217.07060	1.6
221.06679	1.4
229.14479	1.1
235.08229	4.9
253.09171	1.3
255.23282	73.0
256.23645	7.3
259.08319	1.3
277.21973	1.3
287.07547	1.7
305.08655	2.0
323.09882	1.3
379.12439	17.6
380.12833	2.1
397.13528	44.1
398.13794	3.6
415.14804	7.7
506.52985	1.1
551.23389	3.6
552.23926	1.4
569.24640	2.0
635.36731	2.4
653.37653	4.6
654.37994	1.3
793.54401	3.2
867.45691	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	868.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71554	0.2
61.98705	100.0
64.55225	0.2
70.35612	0.2
71.01281	0.4
78.95772	0.3
80.96390	0.3
96.95914	0.3
115.00329	0.2
121.66586	0.2
175.02431	0.7
191.05629	0.3
203.98698	0.2
211.13397	0.4
530.42224	0.2
637.43243	0.2
868.41370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98421	0.2
65.10680	0.1
78.31414	0.1
79.95612	0.2
80.96407	0.5
82.95961	0.2
85.96653	0.1
98.19648	0.2
108.03864	0.1
114.13486	0.1
115.37349	0.1
388.90063	0.1
601.29230	0.1
666.96967	0.1
868.51129	0.4
869.47400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99169	0.8
67.01757	1.1
70.29997	2.1
71.01250	1.6
83.04870	0.8
85.02820	8.8
87.00771	1.6
93.03339	11.6
94.03672	0.9
109.02849	3.3
111.04382	4.0
115.00251	1.3
127.03922	2.3
133.02844	2.7
134.03639	1.6
135.04420	21.8
137.02347	1.0
141.62292	0.9
149.06001	1.1
155.03391	2.1
161.02353	8.3
161.06023	1.3
171.02917	1.2
173.04459	13.6
179.01897	0.9
179.03416	14.0
187.03938	0.8
191.05540	100.0
192.05888	4.8
241.05081	0.9
242.05827	2.5
243.06564	3.8
244.06976	1.1
245.98734	0.7
271.09891	1.5
297.07645	1.4
300.93701	0.7
335.07718	3.0
353.08817	10.9
515.12231	1.4
533.12805	1.3
533.83331	0.9
689.17371	5.7
690.17358	1.4
707.18341	11.8
708.18530	2.0
869.21338	14.3
870.21710	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	869.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	2.4
69.03326	2.1
70.03785	1.9
71.01260	6.1
73.02813	1.4
76.72654	0.5
78.95779	1.3
83.01246	0.9
83.04904	1.6
84.02052	2.6
85.02823	1.9
87.00735	1.3
89.02312	4.7
95.01243	0.7
95.04906	0.7
96.95898	4.9
96.96855	1.2
97.02819	1.6
97.06460	6.8
99.00767	0.7
99.04407	0.8
101.02335	6.0
102.05487	4.3
109.06429	0.8
111.08028	8.9
113.02345	3.1
116.92757	6.2
119.03387	1.3
125.09611	1.2
127.04990	1.0
127.07522	0.5
128.03439	4.0
137.09636	1.1
143.03439	0.8
145.04958	0.8
145.06076	6.5
146.04488	9.0
151.11142	0.9
153.12769	0.7
155.41231	0.5
161.04472	3.0
165.12753	1.3
169.12256	3.9
171.10191	12.3
179.05539	1.1
181.12265	1.5
183.13849	0.8
185.11739	0.9
193.12282	8.9
194.12473	0.8
197.11768	39.5
198.12079	2.1
199.13303	2.9
209.11803	1.9
211.13396	9.0
221.11644	1.1
225.14935	12.7
226.15324	1.0
227.12791	1.0
235.08150	3.1
243.16002	6.9
247.20502	0.7
253.09271	31.9
254.09639	1.8
263.20239	2.9
277.21631	1.0
291.19672	14.2
292.20068	1.0
309.20706	63.0
310.21048	6.7
323.22394	1.0
327.21716	0.7
341.23312	100.0
342.23633	10.2
367.37427	0.6
545.29858	2.5
577.32452	2.7
578.33087	0.8
633.43445	6.2
634.44049	1.9
695.29346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	0.8
65.79824	0.6
69.03307	2.1
70.43928	0.7
71.01257	17.3
71.54359	1.1
72.99175	1.9
73.02817	3.1
73.63004	0.8
81.03350	0.7
83.01261	2.2
85.02821	4.0
87.00743	2.9
89.02319	12.3
93.03349	0.9
95.01257	2.0
95.04891	0.9
97.02830	2.4
97.06458	2.1
99.00768	1.3
101.02330	11.1
109.02820	1.7
113.02327	4.8
114.93284	1.3
119.03406	2.3
122.03623	0.9
123.00798	0.7
123.04396	2.1
125.02308	3.0
129.01808	0.8
137.02351	2.3
139.03900	1.4
143.03409	1.3
149.02377	1.0
151.11168	11.3
161.04422	1.3
161.05902	0.9
165.01833	1.5
168.10712	0.7
169.12257	67.0
170.12590	3.2
179.05574	0.9
185.11658	1.8
195.10239	1.1
205.04997	1.2
213.11281	11.0
221.06602	3.4
225.38327	0.8
235.08040	1.5
253.69049	0.8
267.53516	0.7
277.21759	18.7
278.21936	1.7
345.98331	0.8
397.13687	4.1
398.14362	0.9
415.14328	0.9
447.67523	0.9
543.37360	0.8
593.24359	1.0
611.25574	3.4
871.47028	100.0
872.47394	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.0
69.03327	1.3
70.74434	1.0
70.74760	0.8
71.01253	15.7
72.99172	2.3
73.02821	3.8
78.95739	0.8
81.03339	1.5
83.01254	2.6
83.04900	1.1
85.02808	4.2
87.00758	3.6
89.02323	14.3
93.03313	0.8
95.01287	1.3
95.04892	1.1
95.40702	0.8
97.02831	2.5
97.06470	4.8
101.02322	9.6
107.62607	0.7
109.02824	0.9
113.02309	5.9
114.93272	0.7
116.05504	0.7
116.92718	0.9
119.03372	1.5
125.02345	4.2
128.03366	0.8
137.02327	0.9
143.03381	1.6
146.20592	0.7
151.11188	12.1
161.02301	1.2
161.04474	0.9
165.01822	1.2
169.12263	41.5
170.12569	2.1
171.10168	1.2
185.11749	1.9
195.10233	0.9
205.04921	1.0
211.13419	0.7
213.11253	7.1
221.06633	1.1
235.08215	1.5
253.09212	0.7
259.20483	0.7
277.21719	35.2
278.22015	2.5
306.07285	0.9
379.12466	1.4
397.13528	6.1
415.14798	1.4
593.24603	1.7
611.25647	1.9
871.47003	100.0
872.47198	25.2
880.05707	0.7
900.71570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36280	2.3
69.36687	0.6
73.49900	0.5
75.14072	0.5
81.19363	0.4
96.95953	0.4
107.01294	0.8
111.20784	0.4
135.04477	0.5
151.00275	1.9
153.01901	0.5
162.09918	0.4
165.01672	0.4
178.99709	0.5
183.04453	0.7
191.05566	1.7
195.47395	0.4
211.03984	0.9
227.03467	31.9
228.03827	1.9
239.03439	0.4
255.02991	39.7
256.03540	6.5
257.04456	0.5
284.03287	47.0
285.03940	12.3
286.04446	0.7
327.05228	0.8
374.54404	0.4
447.09357	100.0
448.09668	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	875.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38045	1.4
79.95609	16.6
80.96407	0.4
85.02834	0.2
85.32818	0.2
93.03332	0.9
95.95110	12.3
96.95892	46.6
98.19753	0.3
110.97466	5.9
116.74444	0.2
120.88067	0.2
121.02830	0.2
122.03632	0.2
127.03925	0.2
135.04410	2.3
136.99039	2.6
141.95660	0.9
151.00272	0.3
165.05507	0.5
167.00113	23.4
168.00327	0.3
173.04449	0.4
179.03447	0.5
191.05545	5.3
245.01389	0.3
259.02869	0.4
263.85138	0.2
273.04337	0.7
287.05869	1.0
289.03906	0.4
303.05493	1.0
346.13995	0.2
353.08670	0.4
361.16394	1.0
395.08127	0.5
426.09933	3.1
427.09940	0.4
441.12241	100.0
442.12564	9.2
580.30096	0.2
635.27612	0.2
701.24933	0.3
875.29938	1.0
877.81757	0.2
909.70129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.5
67.06487	0.4
69.03337	4.2
70.66916	0.8
70.67248	0.7
71.01257	14.6
71.04881	1.6
72.99158	1.7
73.02809	2.5
75.00740	1.0
75.58712	0.4
81.07770	0.4
83.01247	1.7
83.04888	0.4
83.96947	0.4
85.02824	2.8
87.00737	2.6
89.02325	9.0
95.01274	0.8
97.02835	2.6
97.06460	0.6
99.00764	1.3
101.01698	0.7
101.02327	9.3
105.14268	0.4
111.00777	0.5
111.04384	0.6
112.01579	0.4
113.02319	3.7
115.00251	0.6
116.92713	0.9
119.03391	2.7
121.02826	1.9
122.02386	0.5
123.08029	1.6
125.02338	2.3
125.09595	1.8
131.03409	0.5
143.03459	1.1
151.11174	1.9
153.12733	0.7
161.04488	1.0
161.09622	3.8
171.10179	0.6
175.02400	1.4
179.05504	0.7
179.10725	6.4
197.11771	36.0
198.12062	1.7
205.08742	0.6
208.89249	0.4
209.11800	1.1
221.06618	1.6
222.19040	0.5
223.09738	1.2
235.08151	1.5
241.10825	2.2
255.23277	48.7
256.23605	4.4
397.13559	3.0
415.14481	0.8
791.90051	0.6
859.46100	0.6
877.48035	100.0
878.48383	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	17.1
65.03835	1.1
69.03334	1.5
71.01261	4.6
71.01616	1.0
71.04882	0.9
71.53906	1.5
73.02822	18.9
75.45790	0.9
81.03345	3.5
83.01260	1.0
83.04897	9.9
85.02840	3.6
87.00736	1.7
88.98669	1.0
89.02291	1.1
93.03339	54.5
94.03669	1.4
99.00761	6.7
99.04405	7.5
101.02329	2.2
101.25314	0.6
109.02814	1.5
111.00785	1.1
111.04408	15.6
112.98682	1.0
113.02315	1.4
115.00247	2.0
123.61150	0.7
129.01808	2.4
137.02344	13.6
143.03432	2.4
154.20847	0.7
155.03409	7.7
163.11194	1.8
165.12706	1.1
171.10115	1.3
173.04475	51.6
174.04854	1.5
175.02391	2.0
204.81816	0.7
209.11780	100.0
210.12125	5.0
211.13432	1.0
227.12827	17.3
228.13187	0.9
235.08205	2.2
253.09186	4.2
335.58575	0.8
389.90244	0.8
445.20813	3.5
463.21841	0.9
480.29416	0.8
535.45044	0.9
637.32751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56807	0.7
63.96107	2.3
65.09741	0.7
69.03318	0.8
71.01250	9.8
73.02810	1.8
78.95779	0.7
78.98461	7.8
79.95612	16.8
80.96394	88.4
81.03307	1.4
85.02831	3.2
87.00763	3.0
94.97963	21.2
96.95879	1.6
97.02802	1.3
99.00738	1.2
101.02341	3.5
106.97972	4.0
110.27408	0.7
117.61441	0.7
122.97491	4.9
125.02326	3.4
127.03909	1.2
134.97484	6.7
136.99051	2.3
148.99049	7.1
152.98570	6.7
164.98553	14.0
206.99648	3.0
225.00706	23.1
242.16939	0.7
255.23184	1.3
283.04971	1.1
326.37949	0.8
344.31512	0.9
358.95047	0.8
427.85199	0.9
537.27014	1.4
623.27472	1.4
708.17889	0.8
879.51263	100.0
880.51569	27.7
880.69196	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	881.179
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03303	0.5
65.00179	0.7
69.52499	3.0
69.52885	0.7
80.32112	0.4
107.01280	1.7
108.02088	0.7
109.02855	1.0
121.02844	1.1
142.07727	0.4
148.01601	1.0
151.00296	5.7
153.01813	0.8
163.00308	1.1
164.01089	0.6
169.01387	0.5
170.76814	0.5
178.99777	2.6
186.39099	0.5
191.05637	0.5
199.03966	0.7
215.03360	0.6
226.02625	0.6
227.03471	6.0
227.07118	1.3
229.05011	0.5
243.03021	6.7
244.03395	0.5
245.04596	0.6
254.02298	1.3
255.03003	24.2
256.03314	1.8
271.02509	42.2
272.02850	4.0
284.03311	4.2
285.03989	1.6
299.01904	0.9
300.02774	85.3
301.03424	22.1
302.04028	1.7
344.25922	0.5
433.07767	100.0
434.08090	12.2
447.09341	6.6
448.09866	0.6
486.12439	0.5
490.41443	0.5
581.19366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	14.1
68.96304	1.0
69.03317	6.5
69.78463	4.0
71.01251	18.4
71.04875	2.2
72.99188	6.1
73.02820	2.9
75.00743	17.3
75.54171	1.0
80.02532	2.5
81.03338	2.9
83.01265	2.9
83.04895	7.5
84.02034	1.4
85.02821	7.1
87.00752	11.1
89.02322	10.3
93.03334	2.9
95.01241	1.1
95.04906	2.6
96.95895	1.0
97.02835	3.2
97.06477	2.3
99.00774	2.8
101.02332	11.7
109.02872	1.6
113.02315	7.4
115.00265	14.4
119.03403	3.8
123.04393	1.5
123.08014	1.2
125.02344	2.5
125.06001	1.5
125.09605	3.4
127.03911	1.9
129.01823	2.2
135.02896	2.7
135.08109	1.5
143.03401	2.1
147.11761	1.0
151.11189	2.8
153.12779	1.5
161.04480	1.6
161.09653	2.2
163.11215	5.6
163.54085	1.1
165.12703	3.8
169.05006	2.3
169.12297	1.8
171.10184	14.4
173.04443	1.9
175.02396	22.7
179.05487	1.4
179.10732	5.5
180.56143	1.0
181.12210	1.8
191.05585	1.8
191.10751	2.0
197.11772	65.1
198.12085	2.7
209.11778	100.0
210.12051	6.0
211.13371	1.5
221.06560	2.1
221.11884	1.2
223.09784	1.6
223.13268	1.3
227.12813	9.2
235.08272	2.2
237.14871	1.4
239.12767	3.6
241.10869	4.6
251.12964	1.2
253.09312	4.1
267.12375	1.5
273.17044	1.4
285.13562	5.0
397.13580	2.4
445.21002	1.3
503.21045	2.2
521.21729	2.2
653.92505	1.1
713.33521	6.1
714.34485	1.4
731.34943	23.6
732.34979	4.5
743.35956	1.1
761.36121	4.3
771.34241	1.5
789.36072	1.5
797.82568	1.0
803.37311	5.7
821.59369	1.2
849.37671	75.9
850.37811	13.6
881.40253	35.6
882.40173	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	881.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	55.0
69.30322	18.6
71.01253	9.4
78.90765	2.8
85.02832	3.1
88.98681	97.3
89.02338	3.8
101.02293	5.3
106.00987	2.3
113.02332	4.6
134.44960	2.4
161.04477	5.4
221.06575	3.7
227.10056	2.5
275.44150	2.5
277.21756	5.7
319.45905	2.6
382.39084	2.3
397.13248	2.9
405.31583	6.1
423.32587	27.0
424.32907	2.6
449.30801	11.6
467.31552	25.9
468.32248	2.9
546.26953	2.6
791.42255	100.0
792.42560	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	18.3
68.17967	0.6
69.03314	1.1
69.53873	1.8
69.54288	1.9
71.01252	16.3
72.99172	1.7
73.02821	2.4
76.08033	0.7
78.95766	0.6
80.02541	0.8
81.03342	3.1
83.01274	3.8
83.04899	6.7
84.02035	1.4
85.02829	4.5
87.00763	4.2
88.98682	1.7
89.02318	13.9
93.03328	1.1
95.01257	1.3
95.04890	0.7
97.02830	3.3
97.06462	0.8
98.20516	0.9
99.00782	1.1
101.02323	11.6
109.06482	0.8
112.01089	0.6
113.02345	6.9
115.00249	1.5
119.03408	3.1
121.91067	0.6
125.02357	5.6
125.05978	0.9
125.09624	3.7
127.11179	1.2
131.03400	0.8
135.08090	0.9
143.03369	1.9
147.11728	0.6
159.15530	0.6
161.04480	3.1
163.11201	4.5
165.12778	2.4
171.10130	3.0
173.09673	1.1
175.02414	1.8
179.05525	2.8
181.12370	0.8
181.76564	0.6
182.12970	0.8
191.05600	1.5
191.10768	3.0
193.04860	0.6
209.11775	100.0
210.12109	6.6
211.13409	0.8
221.06592	1.7
223.13257	0.9
226.12158	1.1
227.12856	12.0
228.12956	0.7
235.08182	5.1
241.14388	0.9
243.15935	0.7
253.09395	0.8
273.17084	99.6
274.17361	7.5
283.74924	0.7
287.07690	1.4
305.08798	1.2
323.09903	1.3
379.12488	4.3
382.15738	0.6
397.13522	34.7
398.13812	2.6
415.14581	10.0
416.15186	0.9
443.83981	0.7
465.28531	1.7
483.29791	0.8
607.26288	1.2
653.29089	0.9
671.31677	1.6
732.92181	0.8
886.81201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	19.8
69.03338	2.9
69.58543	3.9
71.01263	21.7
71.04905	0.9
71.19075	0.8
72.99194	2.7
73.02840	3.5
73.97003	1.0
78.95797	0.9
80.96404	1.5
81.03348	1.2
83.01267	2.4
83.04935	1.0
83.09538	0.8
85.02837	6.0
87.00762	6.4
89.02330	16.8
90.23064	0.7
92.27995	0.8
93.03331	1.3
97.02843	3.5
99.00777	2.0
101.02337	16.8
101.36125	0.8
113.02348	8.4
119.03400	5.4
125.02388	6.9
131.03407	0.9
133.04930	1.0
143.03404	3.1
149.04448	1.1
149.09624	1.0
161.04448	4.6
167.10724	2.5
179.05637	5.1
179.14354	2.9
195.13849	9.7
205.12276	9.5
221.06619	2.0
223.13379	100.0
224.13731	6.2
235.08159	7.2
277.21756	71.1
278.22119	6.3
285.22391	0.9
287.07816	2.4
291.02435	0.9
305.08786	3.7
323.09863	2.1
379.12506	7.8
397.13577	54.9
398.13879	3.1
415.14511	11.5
416.14825	0.9
464.23993	0.9
603.26495	4.9
621.27332	4.3
675.35889	2.5
712.93970	1.1
881.49872	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	883.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
69.82360	3.5
71.01270	4.2
73.02812	1.0
74.05645	0.9
76.88416	0.8
78.95788	2.0
85.02827	1.8
87.00745	1.6
89.02324	1.7
97.06464	1.1
98.20507	1.2
101.02336	3.3
109.06497	1.3
113.02360	1.3
120.42133	1.0
126.90307	3.5
127.00246	1.3
128.03400	2.2
152.99457	2.2
161.04460	1.1
167.07347	0.9
171.10172	4.0
173.04532	1.2
179.05573	0.9
204.05850	0.9
207.10237	2.1
209.11810	1.7
211.13412	4.6
225.11327	2.5
229.14359	2.6
235.08160	7.0
253.09248	7.7
277.21704	36.9
278.22073	2.4
291.19644	1.9
293.21277	0.9
309.20792	4.3
327.21741	23.7
328.22095	1.7
337.33392	0.8
397.13589	1.4
490.17859	0.9
513.30579	0.9
545.29498	1.5
563.31079	1.7
564.31689	0.9
654.30884	0.9
883.46503	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98705	40.4
71.01254	23.9
71.53745	3.1
72.99187	3.2
73.02824	3.6
79.95580	3.2
80.96394	4.9
83.01254	3.5
83.04887	2.8
85.02836	7.0
87.00756	4.9
89.02309	19.3
97.02814	3.9
97.43758	2.2
99.00762	2.7
101.02319	18.7
104.43038	2.1
109.90974	1.9
113.02333	6.2
118.73197	2.5
119.03378	6.4
125.02323	5.3
161.04443	2.4
163.11195	3.4
165.12733	6.1
179.05475	4.9
183.13834	43.6
184.14178	3.0
185.04507	2.7
188.80838	2.3
199.13202	3.1
201.36835	2.0
207.10219	3.5
209.11774	32.1
221.06534	2.9
225.11205	5.9
227.13000	10.2
277.21741	58.6
278.22028	8.2
379.12619	3.2
397.13544	22.2
415.14633	5.1
607.25452	3.6
738.86749	3.1
885.48376	100.0
886.48633	26.9
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
68.99692	0.2
69.03341	0.5
71.01255	13.6
71.31074	0.4
72.23549	0.2
72.99181	1.1
73.02821	2.4
75.00761	0.4
80.02539	1.2
81.03342	2.2
83.01257	1.7
83.04898	6.2
84.02038	1.1
85.02822	3.5
87.00751	3.7
89.02319	11.7
93.03337	0.4
95.01260	1.5
95.04900	0.8
97.02824	2.1
97.06467	0.4
99.00762	0.5
99.04430	0.2
101.02328	10.3
109.02861	0.3
109.06483	0.3
111.04411	0.6
113.02338	5.9
115.03895	0.3
119.03394	2.8
125.02343	5.4
125.05981	0.6
126.02689	0.3
131.03447	0.4
133.04961	0.3
135.08028	0.5
139.03925	0.4
141.01813	0.4
143.03401	1.9
145.04979	0.2
149.04478	0.2
161.04468	3.1
163.11194	4.3
165.12730	2.4
167.03343	0.4
179.05545	3.5
181.12306	0.7
185.04395	0.3
191.10710	1.0
193.20042	0.2
199.06027	0.3
199.13345	0.5
209.11774	100.0
210.12109	6.1
217.07146	0.5
221.06560	1.6
225.11311	0.4
227.12843	12.4
228.13135	0.9
235.08171	4.5
235.10419	0.3
243.71207	0.2
251.12900	0.5
253.09204	0.7
259.08218	0.4
275.20114	0.3
277.21722	41.2
278.22089	4.1
287.07703	1.4
291.23477	0.3
305.08740	1.7
323.09726	0.9
325.16528	0.2
375.36935	0.2
379.12479	5.2
380.12772	0.4
397.13513	27.7
398.13776	2.1
415.14578	7.9
416.15024	0.6
464.95084	0.2
589.24847	0.3
607.26245	0.9
726.19055	0.3
885.47607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06656	0.2
69.03322	1.2
70.30595	0.5
71.01255	16.5
72.01582	0.2
72.99186	0.9
73.02817	2.7
76.92135	0.2
80.02550	1.1
81.03333	2.1
83.01256	2.1
83.04897	5.2
84.02034	0.7
85.02821	4.2
87.00751	4.0
89.02319	12.0
91.03934	0.3
93.03344	0.3
95.01266	1.1
95.04907	0.8
97.02818	2.8
99.00130	0.2
99.00753	0.9
101.02325	10.8
109.02811	0.4
109.06478	0.3
111.00753	0.3
111.04409	0.6
113.02335	6.8
119.03391	3.3
125.02335	5.4
125.05967	0.5
127.03857	0.2
131.03360	0.6
133.04994	0.2
135.08051	0.6
139.03882	0.7
141.01801	0.4
143.03432	3.0
145.04903	0.3
147.11742	0.3
149.04414	0.5
152.13048	0.2
161.04456	3.6
163.11201	3.6
165.12769	2.3
166.13246	0.3
179.05528	3.8
181.12311	0.7
191.10658	1.1
194.03865	0.2
199.06026	0.5
209.11774	100.0
210.10080	0.2
210.12106	6.0
217.07065	0.7
221.06641	1.8
227.12836	12.0
228.13174	0.8
235.08206	5.5
251.12720	0.3
253.09357	0.6
259.08228	0.6
263.07730	0.3
269.06601	0.3
277.21725	47.7
278.22061	4.7
282.90674	0.2
287.07620	1.6
291.23410	0.4
305.08850	2.1
323.09845	1.4
379.07574	0.3
379.12439	5.5
380.12866	0.6
397.13510	35.2
398.13943	2.7
415.14569	7.9
416.14923	0.8
589.23926	0.4
607.25879	0.8
608.25848	0.3
675.36530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18334	0.2
68.99696	0.4
69.03323	0.9
71.01261	17.3
72.01599	0.3
72.99187	1.3
73.02832	3.0
73.64229	0.3
80.02554	0.9
81.03340	2.1
83.01261	2.2
83.04912	5.0
84.02052	0.8
85.02833	3.9
87.00763	4.2
89.02324	14.4
91.03881	0.3
93.03302	0.3
95.01247	1.5
95.04924	1.0
97.02842	2.7
98.19756	0.6
99.00760	0.8
99.04397	0.3
101.02328	12.4
102.02646	0.3
109.02888	0.3
109.06441	0.3
111.00809	0.2
111.04421	0.4
113.02342	7.6
115.03933	0.4
119.03392	4.0
121.02789	0.2
123.00740	0.4
125.02356	6.1
125.05973	0.5
127.07534	0.3
131.03407	0.7
135.08044	0.6
139.03926	0.6
141.01828	0.4
143.03421	2.4
145.04982	0.3
149.04471	0.5
161.04465	3.4
163.11212	4.1
164.11400	0.3
165.12788	2.6
167.03447	0.4
179.05559	3.5
181.12219	0.7
191.10736	1.1
199.05980	0.5
199.13322	0.6
207.10187	0.3
209.11789	100.0
210.12140	6.6
217.07167	0.7
221.06621	1.3
227.12869	12.8
228.13240	1.0
235.08232	5.2
243.86497	0.3
245.06639	0.4
251.12915	0.5
253.09247	0.8
259.08145	0.4
263.07800	0.6
277.21741	51.7
278.22089	5.3
283.08441	0.3
287.07700	1.6
291.23212	0.5
305.08847	1.9
319.22723	0.3
323.09851	0.9
361.11298	0.3
379.12527	5.8
380.12802	0.7
397.13522	37.9
398.13882	3.3
415.14554	8.0
416.14676	0.4
589.25238	0.4
607.26056	0.7
675.35944	0.6
676.36713	0.3
848.89618	0.3
885.49103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
63.20216	0.1
67.88967	0.1
71.01257	0.3
78.95775	0.2
80.96407	0.6
85.02840	0.2
89.02347	0.2
94.97991	0.2
95.42754	0.1
98.19726	0.2
101.02314	0.2
103.29742	0.1
108.83578	0.1
121.23954	0.1
129.01868	0.2
164.02029	0.1
203.31374	0.1
209.11816	0.4
214.82446	0.1
225.00940	0.2
227.12921	0.4
235.08284	0.2
241.91432	0.1
254.88948	0.1
277.21777	0.4
278.21970	0.3
279.23264	0.2
295.22781	0.1
397.13724	0.5
398.13766	0.2
707.07275	0.2
812.50732	0.2
886.48773	0.2
887.48810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07880	0.2
71.34091	0.3
78.93899	0.2
79.95613	12.5
80.96400	0.7
87.36255	0.2
89.30648	0.2
96.95901	3.5
109.02831	0.3
121.02839	2.1
132.23141	0.2
135.04436	0.5
145.02853	0.5
147.04419	0.8
150.91882	0.2
159.04504	0.3
192.07776	0.3
201.43965	0.3
211.07646	0.3
220.07323	0.3
235.07640	0.3
240.04192	0.7
241.08727	0.5
253.08594	0.5
255.10255	1.2
265.08591	0.3
266.05948	0.3
267.10284	0.3
269.08200	18.2
270.08463	1.4
270.12585	0.5
271.09866	0.6
281.08246	2.8
282.08765	0.5
283.09763	4.9
284.10281	0.7
294.09158	0.3
295.09659	1.0
296.10501	0.8
297.11368	0.4
298.12085	0.8
299.09235	10.9
300.02603	0.3
300.09573	1.0
310.12039	0.3
311.09265	16.3
312.09592	1.5
313.10840	0.4
314.11612	20.3
315.11966	1.9
325.10791	2.9
326.11584	11.9
327.12036	1.5
329.13940	41.2
330.14322	4.3
341.13934	14.2
342.14175	1.4
409.09546	2.5
439.10666	100.0
440.11005	10.8
447.09360	0.4
521.03595	0.2
642.35107	0.3
765.53571	0.3
876.13922	0.3
917.46515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	5.3
69.03316	0.8
71.01254	16.3
71.54245	0.9
71.54623	0.9
72.99171	1.8
73.02811	2.2
80.02558	1.1
80.96397	1.4
81.03322	2.1
83.01250	2.2
83.04901	5.0
84.02054	1.0
85.02827	4.3
87.00750	4.1
89.02317	12.8
95.01244	1.6
95.04928	1.1
97.02815	2.6
98.15118	0.6
99.00752	0.9
101.02325	12.3
113.02341	7.0
116.92740	8.1
119.03387	4.1
122.60641	0.7
125.02326	7.0
125.05933	0.9
143.03404	2.9
161.04460	2.6
163.11205	3.6
165.12802	2.7
167.74054	0.8
179.05569	3.4
183.13896	1.1
191.10718	1.2
209.11768	100.0
210.12125	6.0
221.06577	1.4
227.12836	11.6
235.08185	4.9
253.09271	1.0
277.21826	1.5
278.22061	1.1
279.23285	57.5
280.23605	4.7
287.07956	1.1
295.22797	0.7
305.08932	1.7
379.12476	7.5
386.95584	0.7
397.13501	34.0
398.13812	3.1
415.14648	8.9
589.24768	1.1
631.51654	0.8
702.88318	0.7
814.52429	2.0
886.48395	0.8
887.48822	5.7
888.48584	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.9
69.03331	1.1
71.01251	15.4
72.99184	1.3
73.02830	2.4
75.00752	0.7
78.09149	0.6
78.95805	0.5
81.03315	0.7
83.01260	1.8
85.02824	3.2
87.00750	4.4
89.02319	11.4
95.01281	1.1
97.02834	2.5
99.00762	0.8
101.01701	0.9
101.02325	11.8
101.06242	0.5
111.04395	0.4
113.02335	7.6
115.03922	0.5
116.92735	4.9
117.92708	0.6
119.03380	3.1
125.02338	7.8
125.09618	1.0
127.11182	1.5
131.03343	0.5
139.03853	0.6
143.03423	2.7
152.99554	0.6
153.09114	0.6
161.04507	4.2
171.10181	100.0
172.10512	4.8
179.05565	4.1
199.06038	0.8
209.11794	4.2
210.12122	2.0
211.12242	0.6
217.07104	1.7
221.06619	1.7
235.08247	5.7
245.06874	0.5
253.09276	1.0
259.08237	0.9
277.21713	52.8
278.22064	6.2
279.23260	1.3
280.23557	1.2
287.07788	2.3
305.08801	2.4
323.09879	1.2
361.11551	0.8
379.12463	15.8
380.12695	1.2
397.13498	44.9
398.13687	4.0
399.14011	0.8
415.14624	9.8
416.14539	0.9
481.26111	0.6
551.23590	3.7
569.24316	3.5
657.34741	1.1
675.36078	1.6
693.82422	0.5
889.49133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.1
69.03336	1.0
70.45040	1.2
70.45367	0.8
71.01257	17.5
72.99181	1.6
73.02837	3.0
78.95787	1.0
83.01264	1.7
85.02814	4.3
87.00754	4.7
89.02323	15.1
91.10648	0.6
95.01260	1.8
97.02838	2.7
98.88937	0.6
101.02322	12.2
109.02871	0.6
113.02325	7.6
116.92741	1.6
119.03391	3.9
125.02348	7.8
125.09599	0.8
127.11172	2.1
139.03871	0.9
143.03438	3.0
152.99500	1.4
161.04523	3.8
171.10182	100.0
172.10487	3.3
179.05534	3.5
181.04973	0.6
209.11787	2.1
217.07083	1.0
221.06549	1.8
235.08223	6.7
253.09309	1.0
259.08035	0.8
263.48682	0.6
277.21725	70.8
278.22040	5.3
285.00488	0.7
287.07730	1.8
305.08817	1.7
323.09894	1.0
379.12442	15.5
380.12701	1.4
397.13495	45.7
398.13937	3.8
415.14420	8.1
473.72345	0.6
548.16650	0.7
551.23480	2.8
569.24628	2.5
657.34802	1.6
675.36133	2.8
685.83093	0.7
699.87061	0.7
716.14874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02276	0.4
65.00206	0.6
68.68819	0.3
69.84773	0.9
69.85188	0.6
72.01241	0.3
98.19875	0.5
107.01264	1.0
108.02054	0.7
119.04898	1.3
121.02831	0.9
135.00742	0.3
148.01591	0.7
151.00282	4.9
156.02829	0.4
163.00328	0.6
163.03886	1.8
178.99831	2.3
191.05582	0.7
192.00620	0.6
197.04941	0.3
203.03383	0.3
213.47179	0.4
216.04099	0.4
226.02686	0.9
227.03398	1.8
239.03018	0.4
243.02971	6.2
244.03473	0.5
254.02232	1.7
255.02965	19.6
256.03314	1.2
271.02481	41.5
272.02911	3.1
295.08380	0.5
299.01938	1.5
300.02740	100.0
301.03311	14.0
302.03833	0.8
362.20721	0.4
407.10126	0.4
475.08417	0.3
484.55695	0.4
595.13043	93.6
596.13422	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	892.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90579	17.3
67.95387	15.3
71.01261	32.9
71.54395	20.7
78.63760	17.1
78.96228	14.5
80.05059	18.4
80.68244	16.6
87.54947	16.4
89.02348	20.4
116.92763	21.4
120.15646	17.6
171.10225	100.0
172.10548	55.5
199.13368	21.7
257.05704	16.2
277.21530	42.2
278.22134	43.1
397.13339	32.8
399.14072	28.6
495.36105	18.0
599.02637	21.6
661.40814	21.7
710.20758	18.4
714.00580	19.4
928.73767	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02254	1.2
65.00198	2.0
71.34606	0.5
73.35854	0.3
83.01246	1.3
84.76152	0.3
91.01757	0.6
93.03347	0.3
95.60519	0.3
107.01270	4.8
108.02052	1.3
109.02840	3.4
115.56870	0.3
119.01258	0.6
121.02843	3.8
135.00760	1.0
139.03865	0.5
148.01576	1.4
149.02336	0.9
151.00273	17.0
152.00621	0.6
152.11427	0.3
159.04398	0.9
163.00269	4.5
164.01041	0.8
169.01318	1.2
178.98189	0.6
178.99783	9.2
180.00275	0.4
183.04393	1.0
187.03874	1.0
190.99832	0.6
192.00687	0.5
195.04591	0.4
199.03993	0.7
201.05510	0.7
203.03459	0.4
211.03899	1.7
215.03462	0.5
216.04173	0.5
226.02646	1.3
227.03491	3.7
229.05020	1.7
233.99020	0.4
239.03419	0.9
243.00464	0.5
243.02962	10.5
244.03427	0.8
245.04495	3.3
254.02133	2.0
255.02966	29.6
256.03391	1.9
271.02466	56.8
272.02939	4.7
273.04016	1.5
283.02499	2.6
284.03131	0.4
299.01901	1.8
300.02740	91.0
300.99817	0.7
301.03482	65.7
302.03839	5.1
447.09305	100.0
448.09653	10.0
551.87732	0.4
628.25922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21307	3.0
71.01258	11.9
71.87170	3.1
75.00737	3.7
83.01266	5.3
84.92826	3.5
85.02840	6.0
87.00770	5.1
89.02334	8.8
97.02843	4.8
98.20183	25.4
101.02316	9.1
111.08054	13.9
113.02293	8.5
125.09609	8.9
137.09653	3.6
151.11191	4.7
161.04500	3.4
163.11191	7.3
165.12711	4.0
169.12213	9.0
185.11797	5.3
185.81084	3.2
191.14262	9.4
197.11787	81.2
198.12067	3.2
199.13454	4.7
209.11826	24.3
210.11996	4.0
211.13286	14.4
225.11607	3.6
235.08258	6.3
237.11261	4.2
245.19072	16.5
253.09322	35.5
255.23378	3.9
263.20114	9.9
289.18088	87.4
290.18408	7.4
291.19739	32.2
307.19128	74.9
308.19562	5.9
309.17261	6.4
309.20724	100.0
310.21085	8.6
363.54120	3.6
525.27057	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	895.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63671	2.8
69.03384	2.7
71.01256	11.5
71.54292	2.8
81.03310	3.4
87.00748	3.2
87.26054	2.8
89.02322	6.2
95.04912	3.8
101.02342	6.6
109.02846	4.0
111.08052	14.8
113.02328	4.6
120.48239	3.1
123.04401	3.5
125.09654	5.6
135.42873	3.0
137.09610	3.4
153.01842	3.3
161.04430	5.1
163.11259	7.2
169.12273	7.3
173.04440	3.6
181.12308	6.0
182.12483	2.8
185.11774	6.0
191.14386	9.7
197.11787	88.9
198.12170	5.6
199.13350	6.9
199.81929	2.6
209.11867	22.9
211.13321	14.3
225.11343	4.3
227.12819	4.2
235.08177	6.6
237.11252	3.4
245.19099	14.9
253.09259	32.2
263.20151	9.8
265.18060	3.1
277.21643	4.9
289.18109	84.6
290.18399	9.7
291.19662	26.3
307.15656	5.5
307.19165	87.5
308.19556	6.5
309.20731	100.0
310.21075	6.2
331.55771	3.1
397.13889	3.3
411.82718	2.9
784.00757	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	895.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	13.8
72.99155	1.9
73.02834	2.5
75.00758	6.7
83.04910	5.5
85.02810	5.5
87.00743	4.3
88.98712	2.3
89.02341	12.7
93.03320	5.4
95.01308	2.2
96.98947	1.7
101.02338	10.6
113.02325	5.2
113.05709	1.5
119.03403	2.1
125.02326	5.3
131.38757	1.8
137.02344	2.7
161.04456	4.1
163.11253	3.1
173.04474	6.6
179.05579	3.6
209.11807	100.0
210.12114	5.9
217.07213	2.3
227.12836	12.8
235.08215	3.1
240.69247	1.5
255.23279	54.5
256.23639	4.6
259.15451	3.3
305.08719	2.0
379.12479	10.7
397.13565	38.1
398.13693	2.8
415.14490	6.9
607.25671	2.5
653.37512	3.7
744.75122	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	897.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01752	0.8
69.03306	0.7
71.01255	17.9
72.99181	3.4
73.02802	2.2
75.00746	2.4
83.01265	2.1
83.04896	0.7
85.02817	2.7
87.00755	33.4
89.02327	1.5
93.03348	1.3
95.01266	0.9
95.04877	0.9
97.02808	3.2
97.06483	0.9
99.00757	2.2
101.02329	2.5
107.04887	0.8
109.02893	0.6
111.00751	1.0
111.04453	0.6
112.98677	1.7
113.02326	2.0
115.00259	49.7
116.00552	0.9
123.04453	1.3
123.08076	1.1
125.09613	4.9
127.00284	0.9
127.03883	0.5
129.01822	1.8
135.02882	2.3
137.02338	0.7
139.00270	1.5
142.99754	1.8
151.03989	0.6
157.01321	1.7
173.00880	0.5
173.04457	0.9
175.02400	100.0
176.02734	3.5
187.09692	1.1
197.11816	2.8
199.13316	0.7
209.11761	6.4
211.13203	1.3
221.11736	1.4
223.13220	0.5
235.08243	1.1
239.12773	1.4
249.11317	1.7
253.09332	3.7
277.14648	0.6
277.21735	19.5
278.22119	2.2
291.19791	1.6
294.53369	0.6
295.15515	1.1
305.06744	0.5
305.10324	0.7
309.20663	5.8
310.20755	0.6
333.04178	0.6
380.68109	0.6
409.57767	0.5
683.39868	2.5
684.40485	0.8
761.40967	2.2
762.42194	1.0
763.42590	8.6
764.43176	2.2
775.43323	1.3
779.42218	1.9
793.43756	1.8
794.43628	0.7
799.43219	0.7
801.40710	3.8
802.41150	0.8
817.44641	1.1
819.41870	0.8
831.41547	0.8
835.45044	2.6
836.45123	0.9
843.41705	0.8
861.42780	4.8
862.42902	1.2
879.44141	5.7
880.44763	2.7
897.46069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03833	2.2
69.03316	1.5
71.01256	4.7
71.04919	0.9
71.53356	0.7
72.99181	0.8
73.02821	26.5
80.96400	0.6
81.03320	3.7
83.04900	12.4
85.02827	5.6
87.00748	0.9
89.02309	1.0
93.03336	83.4
94.03683	2.4
99.00762	8.7
99.04404	10.5
101.02316	2.7
109.02814	3.6
111.04407	28.8
111.07985	0.8
113.02343	1.0
124.64800	0.6
125.02354	0.5
129.01822	4.0
137.02345	19.0
138.02682	0.9
143.03383	5.0
155.03410	13.8
161.04398	0.7
173.04471	100.0
174.04816	3.4
175.02386	1.1
176.74051	0.6
195.13878	1.4
202.99924	0.6
209.11775	49.1
210.12146	2.9
218.84160	0.8
221.11835	0.9
227.12872	7.2
235.08041	0.7
253.09351	3.8
277.21725	28.7
278.22125	2.6
445.20844	1.9
897.48859	2.2
898.51825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03819	1.8
65.86768	0.4
69.03326	1.9
71.01257	3.8
71.04900	0.9
71.54278	0.6
72.99197	0.6
73.02821	24.0
80.13158	0.4
81.03336	4.3
83.01273	0.5
83.04900	11.8
85.02820	4.3
87.00744	0.4
89.02306	0.6
93.03338	75.0
94.03669	1.6
95.01276	0.6
97.68607	0.4
99.00763	8.0
99.04392	9.1
101.02328	1.5
109.02837	2.1
109.71180	0.5
111.00756	0.7
111.04404	24.2
113.02339	0.7
127.57975	0.5
129.01825	3.5
129.05421	0.5
137.02344	19.3
138.02708	0.7
143.03426	5.3
144.26888	0.4
155.03406	12.7
161.04527	0.5
163.11226	0.7
173.04475	100.0
174.04802	3.1
177.75909	0.4
191.05611	0.5
209.11772	28.9
210.12129	1.7
225.04137	0.5
227.12846	4.3
235.08154	3.6
253.09274	4.2
277.21719	40.7
278.22052	3.3
445.21002	0.7
513.30811	0.8
897.48956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	4.6
78.95757	3.5
82.30613	1.1
82.40504	1.4
83.04932	1.4
84.02011	3.4
85.02843	1.8
87.00770	2.5
89.02300	2.2
93.03333	3.1
97.02843	1.5
97.06476	4.8
101.02335	5.1
104.55185	1.2
113.02332	3.1
119.03425	1.2
145.04953	2.1
152.99509	3.8
161.04422	1.8
171.10193	7.5
173.04437	6.0
183.13913	1.9
193.12238	5.7
211.13306	2.5
225.14896	6.9
235.08212	17.8
243.15892	3.4
253.09267	14.9
277.21710	100.0
278.22171	10.2
341.23309	67.6
342.23660	6.6
513.30597	2.8
577.32715	2.1
601.44513	3.0
689.36646	3.6
691.38129	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	898.393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	25.6
71.09584	22.0
72.64421	14.2
87.00787	16.9
93.03329	29.5
113.02269	16.8
129.01831	59.1
163.53252	18.1
179.61484	14.6
191.05544	18.5
209.11821	100.0
210.12193	21.6
227.12912	21.2
839.41394	19.7
920.62793	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	898.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	34.2
71.54447	6.5
73.02794	6.6
75.00783	5.0
79.95620	7.1
80.96404	9.9
87.00740	43.9
101.02381	5.7
115.00263	53.9
116.00607	8.3
157.01376	6.6
171.10156	9.3
173.04524	12.1
175.02425	100.0
176.02763	16.7
209.11833	9.9
225.00581	6.1
227.12837	6.0
255.23265	8.0
277.21762	31.6
278.22031	13.7
397.13516	8.5
426.87625	6.8
500.96060	5.7
502.38858	5.4
506.96872	5.3
622.22174	5.7
659.57947	5.6
899.44714	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	899.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38138	0.4
65.00182	1.0
66.75596	0.4
68.04667	0.4
71.34718	0.6
74.11270	0.3
90.09914	0.4
93.03319	0.7
95.04907	0.8
96.51245	0.4
107.01272	1.8
108.02026	0.9
109.02835	17.1
117.03326	0.6
119.04939	0.9
121.02840	1.9
123.04408	9.4
133.02835	2.5
135.00761	0.9
135.04390	0.4
137.02350	0.5
145.02832	1.1
147.04369	2.3
149.02339	0.8
150.03111	0.6
151.00279	4.7
151.03909	4.4
152.00555	0.7
159.04410	1.0
161.02364	4.5
162.03056	0.7
163.00246	1.5
163.03885	0.7
169.01408	0.4
172.70088	0.4
175.03920	0.5
177.01854	19.5
178.02222	0.8
178.78798	0.4
178.99773	2.6
187.03929	1.4
189.01852	36.0
190.02628	8.4
191.03421	8.3
191.05223	0.7
199.03882	0.5
201.01805	0.8
203.03432	4.0
205.05032	0.5
207.42235	0.4
211.03970	0.8
216.00589	4.8
217.01370	30.8
218.01953	2.5
219.02928	11.9
220.03374	0.5
227.03282	0.8
227.06964	0.6
228.41360	0.4
229.05136	0.7
229.08580	0.4
231.02945	11.3
232.03554	1.1
233.04495	1.1
240.69122	0.5
243.02957	2.4
244.03490	0.4
254.02171	0.8
255.02946	8.0
256.03214	1.8
271.02475	15.7
272.02875	3.1
273.03256	1.6
274.03452	0.9
281.04474	1.5
282.05368	0.4
283.02451	0.9
289.07129	1.6
297.07666	1.6
299.05588	2.9
300.02744	28.4
301.03436	24.8
302.03674	6.5
303.03824	2.7
304.04184	1.2
305.04303	0.6
323.05637	2.2
327.05182	0.4
338.30560	0.4
341.06641	84.5
342.07019	6.6
355.16351	0.4
393.12775	0.5
447.09302	30.9
448.09683	7.6
449.09760	7.3
449.15326	0.6
450.10107	4.2
451.10330	100.0
452.10681	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	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	5.2
70.92565	2.3
71.01257	30.0
72.99188	7.9
73.02808	5.1
75.00748	24.6
81.03320	1.4
83.01260	2.3
83.04896	1.3
85.02821	10.4
87.00751	37.5
89.02310	8.4
93.03332	2.2
95.01254	2.2
95.04927	1.1
97.02812	4.4
99.00760	2.9
99.04375	1.5
101.02345	11.9
109.02810	5.1
111.04383	2.1
113.02347	5.2
115.00262	56.6
115.03899	1.4
116.00547	1.1
119.03391	3.0
121.02847	1.4
123.04385	4.5
125.02322	3.6
125.09597	2.1
127.03885	5.0
133.60739	1.2
135.02890	2.9
137.02299	1.1
143.03384	1.3
151.03896	1.6
153.12767	1.2
161.04442	2.0
161.09648	3.1
169.04953	4.8
169.12292	3.1
171.02937	1.6
171.10178	28.3
173.04414	3.4
175.02400	100.0
176.02742	5.0
179.05515	1.9
179.10689	2.9
191.05476	2.1
193.12219	1.6
195.10229	1.6
195.13867	3.1
197.11772	46.1
197.79834	1.2
198.12090	3.5
205.08653	1.4
209.11748	2.6
221.11784	2.2
222.12306	1.6
223.09657	3.5
223.13246	2.2
235.08179	2.0
235.13246	1.8
237.14816	1.3
239.12813	4.6
241.10794	6.9
241.14436	3.4
245.11810	2.7
250.23759	1.1
253.09187	3.0
253.14418	1.4
267.12408	4.6
277.21741	47.7
278.22025	4.5
278.24899	1.2
281.13828	1.2
285.13419	10.5
397.13614	7.6
415.14270	1.6
503.21130	3.7
521.22296	2.6
592.49829	1.5
694.54956	1.2
747.43121	2.0
759.43146	1.4
779.42175	3.5
781.43799	27.9
782.44324	5.9
803.43463	1.4
821.43317	4.3
839.44702	2.7
881.45111	3.7
899.46436	59.7
900.46686	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	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	6.0
69.76128	0.9
70.22246	3.1
71.00846	1.0
71.01254	35.3
72.99185	10.9
73.02811	4.5
75.00745	37.0
80.60978	1.0
81.03310	2.1
83.01240	3.0
83.04887	2.1
85.02824	9.7
87.00221	2.0
87.00752	38.2
89.02324	10.7
95.01242	2.5
95.04883	1.7
97.02850	5.5
99.00742	3.2
99.16393	1.0
101.02333	12.3
108.02085	1.1
109.02840	4.9
111.00782	1.3
111.08026	0.9
112.98677	1.6
113.02322	8.9
115.00261	59.7
115.03929	1.7
116.00574	1.7
119.03371	1.7
123.04398	5.0
125.02303	3.1
125.09666	1.6
127.03930	6.7
129.01822	1.9
135.02852	3.6
139.00256	1.4
139.03877	1.7
143.03403	2.5
151.03862	1.5
151.11176	2.4
153.12729	1.2
161.04460	2.3
161.09601	1.6
169.04973	3.9
169.12271	4.5
171.02873	1.2
171.10188	26.2
172.10513	1.5
175.02400	100.0
176.02676	3.0
179.10704	4.8
182.71530	1.0
193.12228	3.2
195.13792	3.4
197.11768	54.0
198.12073	3.2
200.74974	0.9
209.11720	1.0
211.13202	1.2
221.11691	2.9
223.09608	1.1
223.13367	2.6
235.08170	3.2
235.13393	2.2
237.11253	1.1
239.12897	6.9
241.10835	2.4
241.14432	3.3
245.11760	2.4
253.09232	5.7
253.14389	1.1
263.12820	1.3
267.12372	4.3
277.21716	68.7
278.22153	6.7
285.13394	10.9
286.13727	1.5
297.13419	1.7
309.96344	1.0
335.27603	0.9
397.13577	2.7
398.00787	1.0
407.19659	1.0
433.66946	0.9
503.21298	5.6
521.22437	4.6
737.40887	2.1
759.43115	1.9
777.41675	3.3
778.43439	1.2
779.42743	5.3
780.41992	1.2
781.43811	56.6
782.44171	12.7
783.09064	1.0
790.21405	1.0
803.42041	3.2
811.44916	1.9
821.43384	9.5
822.42944	1.9
832.92719	1.1
839.44153	4.5
863.44012	1.1
899.46423	74.4
900.46875	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96365	67.5
83.17677	61.5
96.95922	97.8
96.96787	97.0
197.23987	75.1
217.58954	70.8
227.48613	72.8
277.21973	86.3
278.22095	77.4
324.82706	70.9
343.23605	88.5
540.88123	78.7
548.93127	87.2
901.47498	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	901.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82230	0.3
68.39368	0.4
69.03338	1.1
69.73997	1.3
69.74397	0.8
70.16587	0.4
71.01254	16.3
71.04896	0.5
72.20512	0.3
72.99187	1.7
73.02814	2.2
80.02566	1.4
81.03336	2.0
83.01266	1.4
83.04901	5.6
84.02047	0.6
85.02819	3.4
87.00761	3.8
89.02321	13.2
93.03341	1.2
95.01262	1.5
95.04911	1.1
96.95875	2.5
96.96834	0.5
97.02821	2.3
97.06512	0.7
98.20541	0.5
99.00774	0.9
101.02328	11.1
107.04898	0.4
111.00797	0.5
111.04421	0.8
113.02333	6.4
119.03388	3.0
122.74185	0.3
125.02357	5.0
125.05965	0.8
129.01875	0.6
131.03410	0.7
135.07980	0.8
137.02269	0.5
139.03934	0.6
141.01782	0.7
143.03378	2.1
145.04869	0.5
161.04483	2.4
163.11174	5.9
165.12772	2.9
167.03392	0.5
168.37819	0.4
173.04469	0.6
177.01926	0.7
179.05544	4.1
181.12276	0.9
183.13802	1.1
191.10709	1.0
195.13855	5.7
196.14293	0.6
197.11787	1.0
199.13383	0.5
199.68266	0.4
205.12320	0.6
209.11775	100.0
210.12106	5.9
211.13316	4.6
216.65819	0.4
221.06633	1.5
223.13298	4.0
224.13824	0.6
227.12831	12.4
228.13377	1.2
233.30679	0.4
235.08195	4.5
235.16969	1.6
251.12773	0.8
253.09389	0.9
256.13147	1.1
263.07663	1.1
275.20126	5.6
287.07761	1.7
291.19705	0.7
293.21228	94.2
294.21558	10.6
305.08798	2.4
309.20657	2.8
323.09741	1.5
379.12448	3.4
380.12790	0.5
397.13522	41.8
398.13855	4.4
415.14609	13.7
416.14722	1.3
460.94458	0.4
503.33652	0.6
589.25690	0.4
607.25964	3.6
648.37408	0.5
673.34113	0.6
691.35498	1.2
839.16333	0.5
901.47076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16171	0.4
69.03332	1.2
69.34738	2.1
70.77016	0.3
71.01254	17.4
72.99190	1.5
73.02825	2.2
80.02565	1.2
81.03323	1.8
83.01266	1.4
83.04897	5.7
84.02023	1.0
85.02821	3.1
87.00751	3.4
89.02317	11.8
89.02895	0.3
93.03358	0.5
95.01252	1.6
95.04898	0.9
96.95895	0.9
97.02821	1.8
97.06503	0.5
99.00756	0.9
101.02323	10.6
107.04942	0.3
109.06429	0.7
111.04404	0.4
111.08035	0.7
113.02333	6.0
114.02698	0.3
119.03399	3.2
121.02796	0.3
123.00781	0.5
125.02325	4.6
125.05987	1.0
131.03401	0.6
135.04427	0.3
135.08023	0.6
137.02412	0.4
139.03893	0.3
141.01768	0.4
143.03426	2.1
145.04922	0.5
147.11697	0.4
161.04437	2.9
163.11214	4.0
165.12796	2.6
167.03386	0.6
169.12257	0.6
171.10188	1.4
173.04463	0.4
179.05533	4.1
179.14330	0.9
181.12247	1.0
183.13806	0.5
191.10767	0.9
195.13850	6.6
196.14183	0.5
197.11790	1.2
197.15456	0.3
199.13312	0.3
205.12318	0.7
209.11775	90.6
210.12103	6.0
211.13358	4.5
216.43431	0.3
217.07210	0.3
221.06656	1.8
223.13350	4.6
224.13901	0.4
225.14987	0.4
227.12843	13.2
228.13319	1.1
231.21225	0.6
235.08221	4.5
251.13043	0.4
253.09232	0.9
256.13123	0.7
260.22449	0.4
275.20157	5.9
276.20721	0.4
287.07657	1.1
291.19754	0.7
293.21231	100.0
294.21536	9.0
305.08759	1.3
307.18845	0.4
309.20660	2.5
317.21109	0.4
323.09915	1.2
340.90030	0.3
341.23337	0.8
379.12393	3.7
397.13513	35.8
398.13855	3.2
415.14606	13.5
415.19373	0.2
416.14795	1.1
424.41586	0.3
572.78851	0.4
587.70331	0.4
589.25745	0.3
607.26233	1.5
630.07098	0.3
654.28906	0.4
673.34503	0.6
691.35413	1.1
740.46497	0.4
901.44727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	6.4
71.54519	1.3
74.77853	1.1
81.03337	1.4
83.04887	3.8
85.02837	2.2
87.00735	1.3
89.02312	5.7
89.50924	1.1
92.28127	1.1
95.04899	1.2
101.02367	5.8
101.02924	1.6
106.28307	1.4
113.02318	4.0
119.03419	1.9
125.02366	2.0
161.04454	1.8
163.11258	2.7
165.12790	1.5
179.05519	3.1
200.64078	1.3
209.11780	100.0
210.12170	6.7
221.06841	1.5
227.12834	26.4
235.08089	2.7
251.12711	1.6
264.58154	1.4
323.09747	1.8
379.12433	8.3
397.13538	31.9
398.13782	3.3
415.14493	4.3
522.89209	1.4
558.21588	1.3
589.25323	7.7
607.26001	12.1
608.26263	1.5
696.98053	1.3
799.37549	2.8
835.39587	2.2
903.40149	25.4
904.40369	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	903.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.5
69.81524	3.2
71.01253	22.9
72.99176	2.4
73.02818	3.8
79.85905	0.8
81.03332	1.7
83.01270	2.4
83.04899	5.2
84.02027	1.3
85.02828	6.6
87.00756	6.0
89.02317	18.1
91.58009	0.7
95.01258	1.3
95.04944	0.9
97.02830	3.6
98.03191	0.8
98.19949	1.1
98.20513	1.4
99.00765	2.0
101.02323	17.8
109.02806	1.3
113.02332	9.9
116.92749	2.1
119.03415	4.4
123.04389	1.1
123.99609	0.7
125.02340	9.1
125.05959	1.5
125.09601	3.1
127.11166	4.1
131.03386	1.1
135.08199	0.9
137.02348	1.8
137.09586	0.9
139.03969	0.9
143.03447	3.9
155.10724	0.9
161.04480	4.4
163.11197	3.2
165.01846	2.5
165.09193	1.5
165.12772	1.4
171.10144	4.8
172.10522	0.9
175.55312	0.7
179.05498	5.0
199.06018	0.7
199.09764	1.7
201.11261	85.3
202.11565	3.4
207.10144	1.8
208.10661	1.2
209.11774	100.0
210.12125	6.0
217.07094	1.1
221.06560	2.8
225.11401	3.7
226.11581	1.5
227.12857	13.1
228.13184	1.0
235.08183	8.9
243.12334	1.3
253.09265	1.7
259.08307	1.1
277.21729	73.7
278.22046	8.8
279.22528	1.0
287.07657	3.1
305.08667	4.0
323.09848	2.2
350.03259	0.8
370.03491	0.7
379.12491	10.2
380.12766	1.5
397.13498	60.7
398.13745	5.2
399.13861	0.9
415.14539	16.7
416.14874	2.0
461.32791	0.9
581.24432	3.4
589.24890	1.6
599.25800	1.6
607.26129	2.8
675.35785	3.8
859.46753	1.2
871.48608	2.1
885.47577	1.0
903.48840	8.0
904.49084	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	905.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02272	0.5
65.00193	0.6
65.06564	0.4
71.01252	0.9
71.54094	0.4
71.78234	0.3
76.27094	0.3
83.01257	0.6
88.54591	0.4
89.02309	0.7
92.23849	0.4
93.03367	0.4
93.64307	0.3
95.01233	0.3
96.95869	1.3
99.97911	0.4
101.02343	0.9
107.01262	1.6
108.02094	0.6
109.02834	1.2
113.02347	0.5
119.03407	0.4
121.02790	0.7
135.00777	0.7
146.05199	0.4
148.01540	0.8
148.30046	0.4
151.00281	6.3
157.84735	0.4
163.00264	1.9
178.99799	3.5
191.05531	0.6
210.60057	0.4
211.04018	0.6
215.03328	0.5
216.04245	0.5
226.02742	0.9
227.03409	1.9
229.05032	0.7
243.02945	6.1
244.03340	0.5
245.04616	0.9
254.02200	1.3
255.02965	17.0
256.03345	1.7
271.02481	36.4
272.02933	3.8
273.03909	0.4
283.02448	0.6
295.10263	0.5
299.01859	0.5
300.02740	63.3
301.03458	30.1
302.03867	2.1
330.13150	0.4
331.13776	0.6
441.17859	6.7
442.18076	0.6
463.08817	100.0
464.09070	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	911.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	1.6
68.99700	0.6
69.40422	0.6
69.40833	1.9
83.01266	0.9
93.03350	0.4
95.01247	0.7
107.01269	2.0
108.02048	0.6
109.02871	1.7
109.99992	5.0
111.00773	3.2
121.02852	1.3
123.00755	0.9
125.02323	0.8
125.99462	0.4
135.00752	0.6
136.01534	0.4
136.98709	1.3
137.02351	0.9
137.99492	2.1
139.00276	8.9
139.03920	0.6
148.01569	0.8
149.02351	1.0
150.99129	0.6
151.00281	8.8
152.00958	0.9
153.01891	0.5
159.04393	0.6
161.02365	0.4
163.00285	2.2
164.01048	1.2
164.98183	0.4
165.99002	6.7
166.99779	3.6
169.01341	0.8
171.04453	0.8
174.03152	0.5
175.03880	0.6
178.99782	7.1
183.04459	0.8
186.03149	0.5
187.03920	1.0
190.99773	1.0
193.01277	0.4
193.98520	0.4
194.99271	1.1
198.03111	0.7
199.03917	1.9
201.01906	0.7
203.03329	0.9
206.99332	1.0
208.00159	0.4
211.03893	0.8
213.01900	0.5
214.02643	0.7
215.03426	1.2
216.04022	0.7
217.04971	0.5
226.02629	1.1
227.03459	3.1
231.02982	0.7
242.02129	1.7
243.02956	5.0
244.03513	0.9
245.04575	1.3
254.02238	0.6
255.03001	9.9
256.03293	1.2
259.02463	1.5
270.01703	2.8
271.02478	33.0
272.02972	3.3
273.04031	1.3
283.02496	0.7
287.01990	10.1
288.02460	2.2
299.01974	10.8
300.02737	27.1
301.03510	20.4
302.03909	1.2
315.01398	1.9
316.02234	37.0
317.02985	35.2
318.03439	2.7
447.09341	44.0
448.09750	4.4
461.06937	0.4
462.08002	2.0
463.08835	100.0
464.09155	10.0
478.42096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	1.6
68.03793	0.2
69.36821	2.0
72.99215	0.4
83.01248	0.7
93.03346	0.3
95.01273	0.9
107.01274	1.7
108.02061	0.7
109.02864	1.6
109.99976	5.0
111.00790	2.2
121.02814	1.4
123.00762	1.4
123.04378	0.3
125.02309	1.4
133.02824	0.3
135.00722	0.6
136.98705	1.1
137.02347	0.8
137.99506	2.2
139.00269	8.7
139.03888	0.3
146.03600	0.4
146.19225	0.3
148.01587	0.6
149.02382	0.5
151.00270	9.5
151.03874	0.3
152.01024	0.6
157.87366	0.2
159.04416	0.4
163.00264	2.1
164.01039	1.2
164.98212	0.5
165.01833	0.4
165.98985	7.5
166.99767	4.1
169.01331	0.5
171.04404	0.9
172.24504	0.3
174.03119	0.4
175.03941	0.5
177.01707	0.3
178.99786	8.0
180.00224	0.4
183.04523	0.6
185.02415	0.4
187.04002	0.6
189.01888	0.4
190.99757	0.6
193.01279	0.6
193.98537	0.6
194.99283	1.2
198.03131	0.5
199.03914	1.8
201.01840	0.8
201.05536	0.4
203.03398	0.9
206.99261	1.1
208.00130	0.6
211.03963	0.6
214.02657	0.8
215.03427	1.1
216.04102	0.4
226.02644	0.9
227.03453	2.8
229.01396	0.7
229.04980	0.7
231.02899	1.1
232.03587	0.3
242.02162	1.9
243.02960	6.1
244.03639	1.0
245.04483	1.0
254.02254	0.5
255.02960	9.1
256.03406	0.7
259.02469	1.4
261.04071	0.4
270.01657	3.4
271.02472	33.3
272.02960	3.6
273.04077	1.5
283.02481	0.8
287.01984	10.3
288.02463	2.3
297.00510	0.3
298.01151	0.8
299.01959	12.2
300.02728	34.7
301.03479	25.1
302.03769	1.5
315.01468	2.2
316.02222	50.4
317.02969	45.5
318.03445	2.6
447.09311	46.9
448.09674	5.1
452.91541	0.3
456.10141	0.3
461.07098	0.4
462.07892	1.5
463.08801	100.0
464.09097	10.5
692.68311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00199	0.4
73.70860	0.3
83.01267	0.4
96.95871	0.4
107.01238	0.8
108.02027	0.3
109.02789	0.3
148.01576	0.3
150.62234	0.3
151.00304	3.2
163.00279	0.8
169.01399	0.5
172.54346	0.3
174.03044	0.3
178.99756	1.9
188.04753	0.3
190.02504	0.6
191.05489	0.6
198.03201	0.4
199.03992	0.4
216.04286	0.7
226.02631	4.2
227.03354	1.6
228.04105	0.4
243.00468	0.6
243.02945	9.3
244.03508	0.6
254.02168	4.9
255.02992	3.7
262.96048	0.3
271.02469	41.9
272.02939	3.8
299.01974	0.6
300.02737	44.5
301.03421	11.4
302.03864	0.6
343.04599	0.8
462.08005	0.5
463.08826	100.0
464.09146	8.6
813.78534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.5
71.01254	3.4
72.99184	3.2
73.02824	1.4
75.00748	17.7
81.03319	0.4
81.27894	0.2
83.01272	0.7
83.04901	1.0
85.02824	7.5
87.00748	3.1
89.02328	2.6
93.03334	2.7
95.01244	0.3
97.02827	2.8
99.00763	0.6
99.04379	0.3
101.02338	1.8
109.02847	0.4
111.00761	0.6
111.04419	1.1
113.02332	0.7
115.00256	2.1
115.03912	0.5
117.01864	1.1
123.04456	0.2
125.02358	0.4
127.03932	0.3
127.60000	0.2
127.61263	0.3
128.12410	0.2
129.01836	100.0
130.02174	2.7
135.02896	32.8
136.03218	0.8
137.02341	0.6
143.03418	0.7
155.03468	0.6
161.04454	0.3
166.47603	0.2
171.10226	1.8
173.04497	2.4
175.02400	3.5
178.46425	0.2
181.81177	0.2
195.13860	0.5
197.11783	0.8
201.11310	0.9
203.05429	0.3
209.11787	4.1
211.13228	0.3
221.11687	0.5
227.12817	0.4
235.08153	0.6
239.12857	1.6
247.04501	1.9
253.09312	1.0
277.21744	11.2
278.22031	1.0
285.13617	0.4
305.76038	0.2
311.57846	0.2
445.20984	0.3
513.30829	0.3
746.24762	0.3
781.44104	0.8
782.44830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	2.4
69.26704	4.4
71.01254	20.0
72.99176	1.9
73.02814	2.9
75.00760	2.2
77.60277	0.5
80.02549	2.3
81.03323	2.7
83.01269	2.6
83.04906	6.3
83.87371	0.5
84.02010	1.3
85.02824	4.7
87.00751	7.4
89.02322	13.4
93.03327	1.0
95.01260	1.5
95.04907	1.7
95.55561	0.6
96.95905	1.0
97.02845	3.6
97.06483	2.8
98.20309	2.7
99.00776	1.6
101.02325	11.6
109.02843	1.3
109.06497	3.8
111.08054	1.0
113.02339	7.8
115.00244	3.3
119.03409	2.8
121.02816	0.7
121.06490	1.2
123.00729	0.7
123.04417	1.4
123.08022	1.0
124.01544	0.6
125.02338	5.9
125.09605	2.7
131.03433	0.6
135.08046	2.6
137.09639	1.0
141.01816	0.7
143.03416	1.9
149.06079	0.7
151.11252	1.5
152.31914	0.7
159.07919	0.6
161.04512	3.0
161.09752	0.7
163.11215	7.4
165.12775	4.9
167.03487	0.9
169.12228	0.6
171.10184	2.6
175.02412	8.5
177.01855	1.1
177.12801	0.7
179.05533	3.2
179.10747	1.1
181.12238	2.8
185.11774	3.7
191.10721	2.2
191.14359	2.2
197.11784	4.1
207.10204	8.6
208.10622	0.7
209.11780	100.0
210.12067	6.2
211.13327	2.4
217.07121	0.8
221.06619	2.1
225.11270	4.3
226.11438	0.7
227.12848	15.7
235.08157	4.9
237.11304	0.9
245.06813	0.6
245.19116	6.6
246.19418	0.8
253.09248	1.0
263.20123	2.9
271.16992	0.9
275.20074	0.8
279.19696	0.8
281.20850	0.6
287.07547	0.9
289.18097	25.0
290.18491	2.8
291.19629	1.8
293.21237	2.0
307.19168	31.5
308.19464	2.6
309.20776	6.5
379.12646	1.7
397.13504	25.8
398.13873	2.2
415.14633	10.1
416.14807	1.2
517.32117	0.8
589.25073	0.9
605.24353	1.0
607.26349	3.1
623.25732	0.9
705.33026	1.3
797.43079	2.9
799.37903	2.0
817.38568	1.0
897.44550	1.4
915.45935	5.4
916.46027	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	915.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	17.0
72.99196	1.3
73.02821	3.5
75.00756	1.1
78.95771	0.8
81.03383	1.1
83.01260	1.7
85.02827	5.9
87.00775	4.7
89.02327	12.0
93.03332	1.9
97.02815	2.1
98.20554	2.2
99.00781	1.5
101.02337	10.2
113.02340	7.4
119.03371	2.7
125.02367	6.4
129.01839	1.9
143.03328	2.2
153.12871	1.0
161.04475	4.3
169.12282	5.7
169.34737	0.9
171.10083	1.4
173.04512	1.3
179.05537	3.4
191.03903	1.6
191.05562	15.5
197.11786	100.0
198.12123	4.1
221.06694	1.0
225.11253	1.2
235.08168	5.1
277.21759	51.3
278.22061	4.9
287.07761	2.1
305.08774	2.4
323.09665	1.4
379.12564	11.9
397.13544	38.4
398.13791	1.9
415.14609	8.9
441.46408	1.2
482.59384	1.1
577.25128	5.6
595.26117	5.8
675.35864	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	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.3
70.69061	0.8
71.01257	16.6
71.04925	0.4
72.99178	1.4
73.02806	2.5
75.00762	0.5
77.24991	0.4
78.95811	0.4
79.63060	0.4
79.63496	0.4
80.02540	1.4
81.03330	2.0
83.01257	2.3
83.04890	7.1
84.02058	0.9
84.05217	0.4
85.02826	4.0
87.00749	4.4
87.03222	0.3
89.02316	14.2
93.03348	0.5
95.01267	1.3
95.04909	1.3
96.95865	2.3
96.96841	0.5
97.02821	2.2
97.06445	0.5
99.00779	0.9
101.02323	13.4
103.00228	0.3
103.97337	0.3
109.02841	0.6
109.06485	0.6
111.00791	0.5
111.04376	0.6
111.08045	8.4
113.02335	8.1
113.03071	0.7
119.03394	2.9
121.02877	0.4
121.06463	0.4
124.01528	0.4
125.02334	5.1
125.05958	0.8
125.09565	0.4
127.07547	0.8
131.03384	0.7
135.08041	0.6
139.03964	0.5
141.01752	0.4
143.03442	2.3
143.04376	0.5
151.11188	0.7
153.12767	1.7
161.04485	3.7
163.11192	5.0
165.12746	3.0
167.10637	0.5
169.12251	3.8
171.10178	1.2
179.05531	3.7
181.12277	1.9
183.13831	0.7
185.04347	0.4
191.10651	0.8
193.12317	0.8
193.54791	0.4
197.11768	45.3
198.12120	1.8
199.13361	3.1
209.11769	100.0
210.12093	5.1
211.13318	9.3
212.13634	0.7
215.30649	0.3
221.06615	1.6
223.09372	0.4
225.11227	0.6
227.12845	15.0
228.13120	0.7
229.14441	0.5
235.08192	5.1
235.13455	0.5
236.08534	0.4
253.09233	1.5
263.20084	2.9
265.18073	0.8
273.18686	1.0
287.07626	1.7
291.19656	15.2
292.19955	1.0
293.21243	1.5
305.08655	2.0
309.20703	86.0
310.21045	6.9
323.09805	1.1
325.20157	1.1
333.20364	0.5
367.25024	0.4
379.12497	3.3
380.13004	0.4
397.13489	39.0
398.13788	2.7
415.14569	16.4
416.14719	1.4
454.25150	0.4
588.87421	0.4
607.26215	2.4
608.26410	0.5
609.27271	0.4
689.34082	1.4
707.34973	1.8
917.46295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21976	0.7
69.03310	0.9
69.69498	0.7
71.00891	1.2
71.01254	13.3
72.99185	2.8
73.02822	2.3
75.00747	12.0
78.91743	0.8
79.89346	0.8
80.02565	1.0
81.03335	1.6
83.01243	2.4
83.04891	4.6
85.02818	6.1
87.00749	4.4
89.02322	10.2
93.03324	0.8
95.01284	1.9
97.02834	3.1
99.00716	1.0
101.02330	9.0
107.79836	0.8
113.02345	5.6
115.00276	0.8
119.03403	2.8
119.22675	0.8
125.02324	6.3
129.01831	43.8
130.02168	8.1
131.02287	3.5
131.03255	0.8
135.02892	20.7
136.03236	3.5
137.03297	1.9
143.03395	2.6
161.04466	3.2
163.11208	3.8
165.12749	2.6
171.10237	0.9
175.02396	0.9
179.05484	4.2
209.11774	100.0
210.12082	6.0
221.06589	1.7
227.12857	11.8
235.08258	4.6
253.09230	1.2
259.15439	6.2
277.21716	40.9
278.22018	6.3
287.07748	1.6
305.08734	2.3
323.09998	1.1
370.95328	0.8
379.12479	7.0
397.13495	31.1
398.14001	2.4
415.14450	7.9
607.26208	2.2
744.39868	0.8
917.49591	1.5
918.46661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.5
69.22070	0.8
71.00925	0.7
71.01254	20.8
71.01633	0.7
71.54376	1.2
72.01578	0.9
72.99189	3.9
73.02818	4.3
75.00750	11.0
80.02544	0.9
81.03343	1.7
83.01268	2.3
83.04893	4.8
85.02827	6.6
86.03152	1.3
87.00755	5.5
89.02316	15.1
90.41043	0.9
93.03326	2.4
95.01269	1.7
96.95883	1.0
97.02827	4.7
99.00801	1.5
101.02327	14.9
111.04408	1.5
112.04677	0.9
113.02320	7.4
115.00259	1.3
119.03411	3.5
125.02348	6.3
129.01839	35.4
130.02162	6.6
131.02251	2.0
135.02905	20.1
136.03247	3.3
137.02313	1.2
137.03273	1.7
141.01842	1.0
143.03391	2.9
161.04494	3.4
163.11198	2.9
165.12758	3.0
175.02405	1.9
179.05498	4.4
183.10185	1.1
191.10735	1.2
199.06117	1.4
209.11775	100.0
210.12146	5.8
221.06522	1.1
227.12830	12.5
235.08118	4.6
253.09250	1.3
259.15503	22.2
277.21725	59.2
278.22064	8.1
305.08798	2.3
379.12582	9.5
397.13480	45.8
398.13760	5.0
415.14560	9.2
607.26001	1.2
675.36066	2.0
917.50397	1.6
927.10095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27438	0.4
71.01259	0.7
78.32687	0.4
79.95612	8.1
80.95966	0.4
80.96375	2.1
84.20485	0.3
89.02341	0.4
89.37446	0.4
94.02872	1.9
96.95891	100.0
97.95858	0.4
101.02357	0.4
102.18339	0.4
119.69944	0.4
120.08064	1.3
122.06007	3.0
127.98380	0.4
134.05997	0.9
136.04005	0.6
138.05501	0.6
138.96973	4.7
152.07071	5.2
153.07368	0.5
158.20898	0.3
190.04971	0.6
191.05501	0.9
198.15033	0.3
221.10625	0.4
223.08795	0.7
235.12321	0.4
237.10083	0.8
239.11868	1.0
251.11977	0.6
255.03175	0.6
259.01294	13.4
264.09003	0.8
265.09702	0.8
271.02615	1.0
271.10739	0.4
279.11429	2.3
291.11642	0.5
300.02859	1.7
301.03809	0.5
323.10419	0.6
349.63461	0.4
355.13174	0.5
443.18256	0.4
444.18741	0.9
448.18680	1.8
460.18542	0.6
461.19354	0.5
463.09003	0.9
464.09140	0.7
488.18048	0.9
489.18875	1.5
490.19943	0.7
528.14539	2.8
565.12036	0.7
677.29236	0.5
757.23926	7.6
757.37030	0.7
758.24493	1.3
789.10956	0.4
919.29254	29.6
920.29572	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	919.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64787	0.4
70.41132	1.2
71.01251	1.2
79.95615	8.8
85.02866	0.5
85.30205	0.4
86.70904	0.4
91.38943	0.4
91.56176	0.4
94.02815	0.5
96.95898	100.0
98.20471	0.5
106.05739	0.4
106.06522	0.4
107.03661	0.6
110.27755	0.4
120.08096	2.0
122.06018	3.9
127.70014	0.4
130.35262	0.4
134.06047	0.6
135.82607	0.3
138.05516	1.5
141.51678	0.4
150.05539	0.5
152.07086	9.4
161.04605	0.4
162.66637	0.4
177.01747	0.4
190.05037	0.9
191.05556	1.0
214.65527	0.4
223.08765	0.8
224.09494	0.6
237.10332	0.6
239.11929	1.9
251.12035	0.6
263.08170	1.0
264.09113	1.1
265.09711	0.6
271.10858	0.8
277.09830	0.7
279.11343	3.3
280.12033	0.7
283.11057	0.5
291.11426	1.2
292.12350	0.4
306.99207	0.4
323.10385	0.8
334.15674	0.5
417.20041	0.6
420.19022	0.5
444.19089	0.6
445.19888	0.5
448.18808	1.3
461.19604	0.7
471.17737	0.6
488.18332	1.5
489.18939	3.3
490.19412	0.7
528.14532	2.0
682.63928	0.5
887.26868	0.7
919.29315	43.2
920.29822	11.0
920.46436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78538	11.4
71.01251	100.0
72.32277	2.1
73.02841	5.8
83.01238	2.8
83.06551	2.1
84.08770	2.1
85.02822	4.2
87.00759	6.7
89.02322	15.9
96.95905	2.2
97.02843	6.1
98.20541	2.5
99.00774	2.5
101.02326	14.4
109.02844	2.8
109.06474	4.9
113.02319	7.9
119.03432	4.2
125.02338	9.5
125.09670	3.0
127.11206	3.4
137.02335	5.1
138.03078	5.4
148.58321	2.3
159.04503	2.3
161.04381	3.0
163.11179	4.8
165.01849	4.5
171.10179	56.8
172.10471	2.8
177.01834	3.6
179.05486	3.3
180.68796	2.2
199.09674	14.6
201.11281	16.3
207.10175	17.6
215.12822	5.1
225.11220	11.8
235.08186	3.7
253.09035	2.8
277.21738	49.8
379.12375	6.3
397.13425	23.0
398.13644	2.4
415.14520	9.2
619.74878	2.6
623.25165	2.9
761.60242	2.4
883.46875	10.9
887.47717	6.9
888.48993	3.1
919.49304	23.0
920.49042	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	919.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.6
71.01256	100.0
71.54186	1.2
71.54671	1.8
72.01575	1.5
72.99138	1.3
73.02827	4.9
81.03323	2.1
83.01277	3.0
85.02843	6.2
87.00745	8.8
89.02318	20.7
90.02617	1.1
93.03321	1.2
95.01269	1.7
97.02836	5.1
99.00774	3.1
101.02327	17.9
109.02829	1.9
109.06502	4.5
113.02334	8.1
119.03392	6.5
125.02301	7.4
125.09602	1.9
127.11156	1.4
137.02310	2.6
138.03149	2.9
141.01826	1.2
143.03395	2.1
153.24562	1.3
155.10707	1.4
161.04443	2.3
163.11203	1.7
165.01863	3.5
171.10193	46.0
172.10541	2.2
177.01930	1.6
179.05545	4.4
181.12308	1.7
199.09686	11.9
199.13403	1.6
201.11276	15.5
207.10240	17.7
215.12872	1.5
221.06708	1.3
225.11272	13.4
235.08165	6.7
243.12451	3.2
253.09341	1.6
277.21735	69.6
278.22107	6.9
305.08804	2.5
337.24008	1.3
379.12469	4.8
383.18466	1.4
385.37241	1.3
397.13495	37.6
398.13913	3.4
415.14462	10.2
623.25684	2.0
857.45081	2.3
883.46869	10.2
884.47461	4.1
919.48749	19.1
920.49573	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	921.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.2
69.20304	6.8
69.20703	3.1
69.72421	1.1
71.01259	15.1
71.04881	1.3
73.02818	2.8
75.00753	1.3
81.03309	1.5
83.01247	2.4
85.02824	4.6
87.00761	4.9
89.02321	6.4
96.37926	1.1
97.02840	5.8
97.06460	2.5
99.00777	17.5
101.02351	9.1
110.03616	1.6
113.02326	4.5
116.92759	1.8
119.03332	1.7
125.02379	6.0
125.09600	4.9
142.02643	1.7
161.04465	1.5
161.09544	1.5
163.11179	7.6
181.12291	14.9
182.10655	1.5
199.13322	2.8
207.10234	42.5
208.10577	3.2
209.11708	1.7
225.11296	71.0
226.11517	3.6
235.08183	1.5
236.57402	1.2
243.12369	22.1
255.23305	63.5
255.54915	1.4
256.23627	6.1
258.37894	1.1
263.07880	1.5
281.24915	1.7
305.08908	1.3
352.02945	1.2
379.12286	2.7
397.13525	11.2
415.14578	3.0
605.24725	16.1
606.24719	2.4
623.25360	7.7
847.01636	1.4
861.48621	100.0
862.49158	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	921.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43589	3.7
69.62498	18.2
71.01256	43.6
72.99171	3.9
73.02821	13.6
83.01256	7.0
85.02837	21.6
87.00743	3.3
87.04423	3.5
89.02328	20.4
95.01292	6.9
96.95894	6.8
98.95941	2.9
99.00783	5.8
101.02321	31.1
101.05982	7.3
105.22130	3.4
113.02322	19.8
119.03360	6.2
155.93568	3.8
161.04492	7.1
163.74928	3.1
164.00067	3.1
175.99414	3.3
191.05521	5.2
206.60896	3.6
255.19720	4.0
399.23846	100.0
400.24414	8.7
408.84070	3.2
417.24976	64.7
418.25320	7.6
453.69971	3.6
459.26077	86.5
460.26382	12.0
650.72156	3.2
686.65002	3.5
751.49103	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	923.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	15.1
72.99185	1.3
73.02838	3.9
80.02584	1.3
80.96399	1.4
81.03345	1.3
83.01276	1.9
83.04893	2.7
85.02831	4.8
85.99970	1.1
87.00751	2.6
89.02333	9.6
97.02828	2.6
98.20177	7.9
101.02321	10.9
113.02352	8.5
116.92761	1.7
119.03388	3.0
121.02862	1.3
125.02357	5.3
131.02029	1.0
143.03366	1.5
161.04474	1.8
163.11200	2.6
165.12776	1.7
179.05521	2.7
209.11780	100.0
210.12160	6.6
217.07237	1.1
227.12781	8.4
235.08133	4.0
255.23274	58.8
256.23584	4.4
287.07599	1.6
305.08728	2.0
379.12552	12.6
397.13538	39.0
398.13950	2.7
415.14621	9.0
496.06616	1.3
549.38074	1.2
589.25110	2.3
607.26196	1.7
635.36633	2.2
653.37500	5.1
718.11951	1.3
863.50403	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	926.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53929	55.1
71.54296	66.7
89.02319	93.2
97.41683	46.7
102.07540	51.5
109.76218	52.3
119.09946	50.0
150.28107	51.4
173.62572	57.3
177.93259	58.7
209.11713	100.0
244.75284	62.5
255.23325	74.7
427.66269	61.4
464.45822	64.7
647.25714	58.2
693.69794	62.3
718.24261	56.9
777.69623	58.2
827.39496	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00183	0.6
66.87101	0.5
69.41230	2.8
76.63688	0.5
88.61142	0.5
97.42895	0.6
102.15777	0.5
107.01285	0.8
108.02045	0.7
109.02869	0.7
112.66146	0.5
121.02856	1.5
126.92591	0.5
151.00272	5.5
163.00275	1.4
174.03117	0.7
178.99794	2.5
211.03931	0.6
226.02632	0.8
227.03448	0.8
243.02911	5.4
244.03496	0.5
254.02219	1.1
255.02965	14.0
256.03244	0.9
271.02481	29.4
272.02982	2.5
281.82867	0.5
286.42831	0.5
299.02005	1.1
300.02740	52.7
301.03455	25.6
302.03763	1.5
463.08835	100.0
464.09180	12.8
464.15833	0.7
850.32635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	0.4
69.44980	0.4
69.45407	0.5
81.03332	3.1
83.01247	0.7
96.95885	0.3
99.08047	0.3
101.05968	0.2
107.01276	0.4
108.02041	0.2
121.02880	0.2
122.03626	1.1
123.04426	0.3
123.08049	1.6
125.02343	4.7
125.05980	2.3
126.02682	0.2
139.03879	0.1
147.08151	0.2
149.02350	0.6
151.00293	1.1
151.97897	0.1
152.00769	0.1
163.89871	0.1
165.05484	0.4
165.09126	19.9
166.02650	0.2
166.09425	0.8
167.03412	0.3
167.07068	0.2
177.01851	0.2
181.12128	0.2
182.12567	0.2
190.02682	0.2
191.03577	0.2
191.05577	0.2
191.06992	0.7
195.06549	0.1
205.08739	0.4
209.08138	100.0
210.08466	5.6
210.10500	0.2
225.11301	0.7
226.11584	0.3
233.08167	0.4
251.09254	0.6
269.06476	0.2
310.42337	0.1
371.13449	13.4
372.13785	1.0
388.16278	0.1
408.70618	0.2
428.11789	0.2
507.20251	0.5
555.21973	0.5
649.99756	0.1
658.30579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10899	2.5
71.01256	16.2
72.99197	4.2
73.02817	0.8
73.53232	0.6
75.00745	2.3
78.95773	0.7
83.01282	1.2
85.02824	2.2
87.00755	31.7
88.98683	0.7
93.03337	0.7
98.19834	1.0
99.00755	0.9
101.02329	1.4
112.98652	0.6
113.02330	1.3
115.00259	46.7
116.00643	0.7
125.09648	0.8
135.02890	1.2
139.00294	0.7
142.99718	0.7
157.01262	1.0
167.36925	0.6
175.02402	100.0
176.02721	3.5
197.11719	0.6
199.13316	0.8
209.11810	5.6
211.13278	0.9
221.11891	0.7
237.11349	0.6
239.12747	1.7
247.09680	1.2
253.09451	1.1
265.10941	1.1
273.25299	0.6
277.21704	16.4
278.22110	2.2
397.13638	0.7
481.25641	0.9
562.07562	0.6
596.89020	0.7
640.20917	0.7
692.58911	0.7
761.41412	7.2
762.41516	2.0
779.42456	3.2
809.44135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.3
69.20317	0.6
71.00893	1.3
71.01260	16.1
71.54290	0.7
72.99178	2.0
73.02813	4.0
75.00729	1.1
78.95751	0.6
81.03304	1.1
83.01269	1.9
85.02834	5.4
87.00777	3.7
89.02323	12.2
93.03336	2.7
95.01270	1.8
97.02853	3.1
99.00755	1.6
99.04404	0.9
101.01709	0.8
101.02343	13.1
109.02889	0.9
111.04391	1.7
113.02334	7.2
116.92718	0.7
119.03388	3.0
125.02351	6.7
125.09634	0.9
134.09711	0.7
143.03403	2.2
161.04494	3.4
173.04515	4.8
179.05580	3.2
183.13820	5.2
193.12280	1.4
198.96204	0.7
210.89377	0.6
211.13356	100.0
212.13757	5.3
217.07117	0.8
221.06702	1.2
235.08255	4.6
253.09361	1.3
259.08304	0.8
268.53308	0.7
277.21744	66.8
278.22031	4.6
287.07736	2.6
305.08896	2.2
323.09842	1.2
379.12473	13.1
397.13547	44.4
398.13904	2.3
415.14569	7.8
416.15115	0.9
591.26752	6.6
609.27869	3.4
657.35876	1.3
675.36237	3.1
886.85760	0.7
929.53522	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	930.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08048	19.7
69.33131	60.2
69.33553	100.0
80.59893	23.2
93.76790	19.4
96.96801	20.7
110.29973	21.4
110.35332	21.3
125.02341	19.3
206.73273	20.2
209.11844	33.8
261.04059	23.8
358.19672	20.1
409.12225	19.2
493.33902	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00199	0.6
69.27914	3.8
69.28313	0.9
76.84826	0.5
96.95870	2.5
107.01311	0.7
109.02839	10.7
111.04425	1.2
117.03326	0.8
119.04874	0.8
120.18139	0.6
121.02884	0.7
125.02346	5.4
133.02823	2.0
137.02301	0.7
139.03943	5.5
147.04373	1.3
151.00256	2.5
161.02328	3.7
167.03362	1.9
177.01846	14.4
178.02197	0.8
178.99780	0.9
179.03427	0.7
187.03944	0.6
189.01862	31.9
190.02397	2.2
191.03391	2.6
191.05423	1.0
203.03395	2.5
216.00601	4.1
217.01363	49.7
218.01666	2.1
219.02960	3.9
227.03476	0.8
231.02939	7.2
233.04492	1.7
233.08450	0.6
243.03070	1.0
244.03152	0.8
255.02986	3.7
256.03354	1.3
271.02475	7.4
272.02863	2.3
273.03156	0.6
299.05740	0.8
300.02740	15.4
300.06146	1.0
301.03378	9.9
302.03354	5.0
303.03882	2.2
304.03952	0.7
305.06686	1.4
316.02155	0.7
327.05206	1.8
357.06131	29.8
358.06564	2.3
463.08783	16.0
464.09116	6.3
465.09351	6.4
466.09647	4.1
467.09805	100.0
468.03818	1.0
468.10181	13.6
468.16605	0.8
479.08487	1.6
586.36676	0.7
605.52753	0.8
755.22302	2.1
793.71655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95594	5.1
71.01263	15.4
71.53783	4.8
82.57012	4.4
85.02837	4.8
89.02331	6.5
101.02325	14.5
113.85585	4.3
125.02383	11.9
144.86427	5.3
149.18652	4.6
206.15884	4.5
209.11768	100.0
210.12131	6.0
211.13409	14.2
218.43324	5.9
227.12880	19.6
230.43333	5.1
235.08167	7.7
255.23293	42.9
257.96112	6.3
277.21750	8.0
278.22223	7.6
287.07916	5.4
312.49268	4.6
342.14273	5.6
359.04965	5.8
379.12454	17.8
397.13486	70.4
398.14258	5.3
408.89374	5.6
415.14490	10.2
433.75076	5.8
589.25134	9.5
607.25549	5.9
634.42987	5.7
635.36700	10.5
653.37567	14.3
845.49512	9.8
931.50256	46.8
932.50464	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	935.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80899	0.8
69.03320	1.9
70.72868	0.7
71.01253	10.6
71.54046	1.3
72.53912	0.8
72.99162	0.9
73.02808	1.9
73.57882	0.8
78.95785	1.3
81.03332	1.9
83.01248	1.4
83.04896	3.4
83.51936	0.8
85.02826	8.9
85.05441	0.8
87.00756	1.8
87.74734	0.9
89.02318	10.8
91.50468	0.8
95.01294	0.9
95.04937	1.3
96.95911	8.2
96.96841	1.4
97.02859	2.5
97.06491	2.9
101.02324	8.2
109.06449	1.1
113.02321	4.6
116.92712	2.1
119.03398	2.3
125.02338	4.1
125.09699	1.2
127.11231	1.3
137.09616	1.8
143.03406	2.0
145.48929	0.8
155.10698	1.2
161.04462	2.1
163.11186	3.5
165.12785	2.4
171.10201	17.0
177.09564	0.8
179.05495	3.2
183.13855	2.2
193.12202	0.9
197.73199	1.0
209.11775	62.5
210.12112	3.3
211.13347	13.4
212.13651	0.9
221.06560	1.1
221.11790	1.9
227.12820	7.6
229.14420	9.2
235.08278	4.2
239.12856	1.4
287.07742	1.0
291.19662	5.1
305.08609	1.6
309.20654	8.5
327.21762	100.0
328.22018	7.5
351.21585	1.1
353.60800	0.9
367.28717	0.9
397.08362	1.8
397.13541	33.3
398.13589	2.3
415.14523	17.6
477.56213	1.0
549.42810	0.8
607.25842	3.8
657.94287	0.9
707.35040	4.0
708.36115	0.9
725.35492	3.8
836.32617	0.9
901.12183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21174	0.9
69.03306	4.8
71.01255	26.4
71.42677	1.7
72.99188	1.8
73.02817	3.4
75.00743	1.5
76.78969	0.9
78.98450	2.5
79.95615	6.2
80.96393	36.7
82.95963	2.4
83.01260	1.4
85.02834	6.2
87.00754	9.5
89.02312	13.7
94.97970	6.6
95.01281	1.6
97.02829	4.0
99.00738	1.8
101.02330	18.2
113.02348	9.3
115.00233	1.8
116.92735	3.3
119.03386	4.9
122.97498	1.3
125.02351	7.5
127.03841	1.2
133.04967	1.3
134.97496	2.1
141.27780	1.0
143.03435	2.2
148.99084	3.0
149.09634	1.7
152.98540	2.6
161.04489	3.3
164.98566	5.5
167.10706	2.1
169.04945	1.1
179.05530	4.5
179.10725	1.5
179.14320	2.4
195.13858	11.3
205.12282	8.8
221.06664	2.1
223.13354	100.0
224.13690	6.1
225.00693	12.0
235.08209	5.9
253.09329	1.3
277.21738	57.9
278.22150	3.3
287.07611	1.7
296.68881	1.1
305.08755	2.9
323.09897	1.3
379.12433	9.8
397.13501	48.4
398.13849	2.9
415.14612	8.8
416.14862	1.2
603.26483	13.9
604.27289	2.6
621.27551	15.6
622.28015	2.2
675.35767	2.3
765.40704	3.0
881.48956	3.7
941.44043	36.5
942.44330	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	941.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	2.7
71.00897	1.5
71.01265	24.0
71.20640	2.2
72.99188	2.2
73.02827	2.7
75.00751	1.4
78.98444	1.6
79.95603	4.9
80.96400	25.7
81.03346	1.9
82.95946	1.1
83.01260	3.0
85.02843	6.7
87.00761	7.3
89.02323	16.0
92.87968	0.8
94.97988	4.8
95.01257	2.2
97.02847	3.2
99.00768	3.1
101.02344	16.3
103.72080	0.9
113.02351	9.9
115.00253	1.0
116.92710	1.6
119.03380	4.2
122.97448	1.8
125.02367	7.9
125.41927	1.0
128.17175	1.0
134.97493	2.3
143.03381	3.6
148.99054	3.6
152.98521	2.2
161.04498	5.0
164.98566	4.6
167.03499	1.2
167.10735	2.6
179.05516	4.8
179.14352	3.6
186.27928	0.9
195.13852	9.1
205.12311	7.7
221.06567	2.0
223.13371	100.0
224.13730	6.5
225.00726	8.6
235.08253	5.5
255.23288	1.2
256.50900	1.1
277.21750	71.0
278.22055	5.6
287.07654	2.6
305.08743	3.4
319.23029	1.5
323.09778	1.3
379.12448	11.2
397.13522	52.5
398.13828	3.9
415.14566	10.2
511.14273	1.1
603.26556	10.7
604.26575	1.8
621.27966	7.3
657.34991	1.8
675.36304	4.6
676.35736	1.1
765.40955	2.1
881.49011	3.9
882.48236	1.6
941.44000	33.9
942.44769	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	943.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37184	2.7
81.59460	0.4
83.01226	0.4
95.01242	0.6
107.01263	1.3
108.02062	0.5
109.02825	0.9
110.00004	3.6
111.00750	1.3
112.45872	0.4
121.02837	0.6
123.00764	0.7
124.01566	0.7
125.02360	0.7
136.01505	0.6
136.98712	0.8
137.02318	0.6
137.99506	1.9
139.00279	4.7
148.01593	0.7
149.02284	0.6
151.00288	4.7
152.00992	0.6
152.08437	0.4
159.04411	0.6
161.02347	0.4
163.00299	0.8
164.01057	0.7
165.99007	5.0
166.99770	2.5
168.15651	0.4
178.99799	5.0
187.03969	0.5
194.99287	0.6
198.03137	0.6
199.03929	1.4
201.01863	0.8
203.03473	1.0
214.02809	0.7
215.03395	1.1
216.04036	0.9
227.03477	2.7
231.02982	1.0
242.02142	1.4
243.02968	3.9
244.03577	0.8
245.04489	0.8
255.02942	5.1
259.02435	1.0
270.01569	3.0
271.02472	25.7
272.02930	2.0
273.04068	0.5
287.01978	10.7
288.02603	2.6
298.00873	0.7
299.01956	14.0
300.02737	21.9
301.03415	9.7
302.03781	0.9
315.01447	1.7
316.02228	39.6
317.02942	19.3
318.03244	0.9
461.07144	0.6
463.08817	36.6
464.09048	3.5
478.07343	1.7
479.08301	100.0
480.08612	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	943.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	2.4
70.83602	1.0
71.01254	18.5
71.04895	2.2
73.02826	2.5
75.00748	1.5
81.03354	2.0
83.01263	3.1
83.04897	1.6
85.02840	5.3
87.00766	7.9
89.02339	10.4
95.01252	1.4
97.02839	12.6
97.06467	1.9
99.00157	2.0
99.00768	22.6
101.02337	8.8
109.06469	2.9
110.03611	1.3
113.02344	6.6
119.03431	2.1
123.04472	1.5
125.02346	7.7
125.09621	5.6
142.02658	2.6
143.03410	1.4
161.04474	1.3
163.11209	11.2
181.12279	19.1
182.12610	1.9
197.11847	1.4
199.13284	3.7
207.10225	59.3
208.10515	3.3
221.06609	2.5
225.11296	99.4
226.11603	4.9
235.08232	2.7
243.12376	33.8
244.12640	1.9
263.07660	2.0
277.21759	53.9
278.22037	3.6
285.75443	1.0
317.15964	2.5
379.12546	1.4
397.13669	8.2
415.14792	1.3
605.24634	26.8
606.24896	3.5
623.25641	29.8
624.25970	3.6
724.13782	1.1
883.47052	100.0
884.47491	18.7
893.52917	1.3
946.56885	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	943.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00650	0.9
69.03340	1.8
71.01261	19.4
71.04898	2.6
71.54152	1.2
72.99165	1.6
73.02828	3.8
75.00755	1.2
81.03362	1.2
83.01263	3.1
83.82184	1.0
85.02831	4.4
87.00774	6.0
89.02308	8.5
94.18947	0.8
95.01286	1.3
97.02831	10.3
97.06471	3.1
99.00768	21.7
101.02339	9.8
109.02835	1.2
109.06490	2.3
111.04420	1.0
111.10617	0.9
113.02348	6.0
119.03410	1.9
123.08084	2.0
125.02325	6.4
125.09656	7.6
135.08051	1.2
136.05194	1.9
142.02621	2.8
143.03381	1.6
161.04451	1.3
163.11229	10.6
169.60468	0.9
179.05585	1.3
181.12274	16.5
182.12564	1.5
199.13335	2.0
207.10222	52.5
208.10551	3.6
209.98770	0.8
217.07201	1.1
217.82146	0.8
221.04601	1.0
221.06679	1.6
225.11299	79.9
226.11562	4.6
235.08325	3.3
243.12375	27.0
244.12756	1.3
263.07870	1.1
265.58340	0.8
271.94247	0.9
277.21744	52.2
278.22128	4.7
341.88437	1.5
346.38580	1.0
379.12549	2.9
397.13461	10.5
398.13727	1.1
400.77252	1.0
415.14554	2.3
605.14886	1.1
605.24603	19.9
606.24811	2.4
623.25537	9.8
624.26514	1.1
712.58478	1.0
883.47070	100.0
884.47229	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	19.3
71.20419	3.4
72.99160	3.4
73.02802	2.6
83.04904	4.3
85.02841	4.8
87.00747	5.7
87.75040	1.8
89.02317	15.8
98.20060	2.6
99.00750	4.8
101.02320	11.1
101.36900	2.1
110.94507	1.7
113.02305	8.7
115.00238	4.1
119.03374	4.3
122.80780	1.9
125.02358	7.1
143.03363	2.8
161.04492	4.5
163.11209	5.5
165.12761	2.0
175.02451	9.6
179.05539	4.1
209.11787	100.0
210.12137	27.2
225.11261	5.8
226.11630	3.6
227.12851	9.8
229.57069	2.1
235.08157	5.7
251.12920	2.3
277.21738	48.5
278.22064	21.5
288.08258	2.2
305.08859	2.6
379.12558	11.2
380.12952	3.1
397.13580	32.7
398.13782	15.1
415.14743	9.1
416.14819	2.2
607.25897	4.0
608.25745	3.8
624.24304	2.3
749.64722	2.0
885.47119	4.1
886.48248	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	947.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	6.0
69.31023	1.1
69.31428	6.3
71.01256	26.0
72.99178	2.8
73.02819	1.5
73.38426	0.7
73.67125	0.8
78.21944	0.8
81.03355	1.6
83.01248	6.2
83.04929	1.0
85.02814	8.2
87.00743	1.8
89.02319	21.9
89.42264	1.0
93.03331	20.7
95.01265	6.0
96.95884	2.0
97.02837	1.8
99.00764	7.1
99.04388	1.2
101.02318	13.1
106.59991	0.8
108.02053	1.0
109.02816	1.9
111.00752	4.0
111.04389	2.7
113.02331	17.7
115.00256	10.1
117.03340	8.9
119.03451	8.3
119.04913	34.4
120.05231	1.7
121.02837	2.8
123.04388	2.4
125.02316	3.8
130.04163	1.2
131.04918	3.5
132.05682	2.0
133.01308	2.0
133.02834	2.4
133.06496	9.2
134.03603	1.0
135.04367	2.9
137.02338	3.3
139.00259	6.2
143.03371	1.8
143.04935	7.5
145.02855	39.7
145.06483	2.2
146.03214	2.6
147.04417	37.1
148.04773	1.3
151.00264	1.6
153.01871	1.0
157.01328	13.0
157.06500	1.0
158.03665	1.2
159.04424	2.9
161.04482	2.7
161.05986	20.7
163.03918	32.7
164.04280	1.8
165.05411	1.4
171.04416	2.4
173.05928	1.8
177.01926	1.3
177.05505	6.0
179.05521	11.6
181.01422	1.1
187.02426	1.2
187.03923	2.7
191.05455	1.6
191.07086	1.2
199.02373	1.8
201.05525	1.4
205.05006	19.2
206.05450	1.2
209.06111	1.5
210.06769	7.8
211.07585	100.0
212.08002	6.2
215.03415	1.1
216.04109	1.0
217.03436	3.9
222.06770	2.0
223.07608	10.1
225.09135	2.0
231.06540	2.1
235.05771	8.4
235.07982	1.7
237.09174	10.9
239.10638	1.1
247.07666	2.4
250.06326	1.7
251.07339	0.9
253.08701	3.0
259.04477	1.3
261.09238	0.9
263.07068	1.8
263.10742	3.1
264.07733	1.6
265.06955	13.9
265.08807	14.7
266.09177	1.2
271.02591	0.8
277.08771	1.0
283.09656	2.4
291.06888	4.1
293.11755	0.8
307.09885	1.7
309.07693	13.7
310.07880	1.0
323.09351	1.8
325.09738	5.7
327.08154	9.8
327.10773	33.2
328.08466	1.7
328.11569	2.1
351.08707	4.7
369.09601	6.0
381.09689	2.6
399.11093	4.2
399.15530	1.0
411.10846	4.8
425.10980	4.1
429.11960	10.6
439.99597	1.0
468.55637	0.8
471.12836	3.4
473.14517	6.7
474.15228	1.0
489.14069	7.7
490.14130	1.3
549.01324	1.1
619.18134	2.5
637.19275	47.3
638.19647	7.9
679.20325	9.2
680.20807	2.0
709.21344	2.7
735.21722	1.2
739.22388	13.8
740.22675	2.8
799.24500	12.4
800.24384	3.1
947.29541	14.4
948.30182	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	947.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.2
71.01260	16.0
72.99190	2.6
73.02814	2.9
78.95761	0.8
83.01269	2.2
85.02824	5.1
87.00762	3.8
88.00340	1.1
88.98651	1.3
89.02325	14.6
89.20503	0.8
89.78277	0.8
95.01254	2.1
97.02844	2.5
101.01685	1.7
101.02332	15.6
105.46400	0.8
113.02341	6.8
116.63396	0.9
119.03403	3.6
125.02341	6.0
131.03395	1.1
133.11526	0.9
140.12270	0.8
143.03372	2.7
146.25987	0.9
152.99387	1.0
153.12779	1.8
161.04474	3.5
169.12276	7.6
179.05556	5.6
197.11792	100.0
198.12114	4.3
209.11786	3.3
221.06580	1.1
225.32544	0.8
235.08247	5.3
244.25177	0.9
277.21756	62.9
278.22058	5.1
279.23251	1.2
287.07721	1.8
289.16580	1.7
292.09708	1.0
305.08844	2.0
323.09952	1.5
379.08148	1.3
379.12555	17.2
397.13556	51.8
398.13742	3.6
415.14651	9.5
416.14850	1.0
543.04626	0.9
577.25201	9.2
595.26062	3.0
657.35211	4.4
658.33881	1.0
675.36224	5.7
855.47705	2.6
871.23877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.6
70.25737	0.6
71.01256	15.3
71.53545	1.0
71.58778	0.6
72.99192	1.2
73.02814	1.9
76.70808	0.7
77.80917	0.7
79.75953	0.7
83.01266	2.1
85.02833	3.8
87.00747	4.0
89.02319	13.6
95.01302	0.9
97.02826	3.0
99.00763	1.4
101.02332	12.2
113.02342	6.8
119.03399	3.7
125.02348	5.8
141.09149	0.7
143.03384	1.9
153.12793	0.9
161.04480	3.8
169.12254	6.9
179.05566	3.8
179.10632	0.9
197.11771	100.0
198.12155	4.3
209.11884	1.2
221.06563	1.1
235.08215	3.9
277.21729	50.6
278.21982	4.1
287.07718	3.1
305.08868	2.3
307.10754	0.7
379.12448	12.3
397.13522	37.9
398.13791	3.4
405.24194	0.9
415.14728	6.7
474.92938	0.6
577.25037	9.2
578.25427	0.9
595.26099	7.5
596.26886	1.2
657.34692	2.0
675.35919	2.9
855.48499	1.2
947.49298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55934	17.2
71.01265	19.8
71.24761	27.8
71.25097	20.4
73.42755	19.3
87.00709	20.9
111.04382	16.5
122.99716	16.9
155.09067	16.6
157.70840	16.8
181.03600	14.8
209.11769	100.0
210.12111	33.6
277.21774	30.3
278.21863	29.3
375.80389	19.4
377.38596	19.1
684.72662	18.9
774.38019	21.4
809.94727	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72575	60.6
91.80766	28.2
123.37492	27.6
127.60838	27.9
144.89368	35.3
197.34856	27.0
209.11743	100.0
210.12119	62.7
220.71455	33.1
225.60152	29.5
269.66101	29.6
276.42389	29.3
277.21628	59.1
278.22125	49.9
637.38513	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.216
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28902	1.1
71.54132	1.1
71.54508	1.4
73.80608	0.9
79.95599	1.2
80.87540	0.9
83.01279	1.5
85.73248	0.9
96.00780	1.5
96.95914	2.6
107.01280	2.6
109.02869	5.6
121.02848	2.8
123.00766	2.1
124.01508	0.9
125.02361	3.1
133.02847	1.4
134.02393	1.6
135.00743	1.1
137.02324	5.0
139.03915	1.2
147.00803	1.3
148.01578	8.3
149.02365	5.4
151.00293	13.2
152.00911	1.1
159.04486	1.3
161.02357	2.2
162.01884	3.4
163.00275	3.7
164.00980	1.5
164.03450	3.4
171.04440	1.1
175.00304	2.6
175.03940	1.3
176.01070	1.1
176.03429	1.4
177.01871	17.6
178.99774	6.7
186.01897	3.4
187.03903	1.1
189.05403	0.9
190.01323	1.8
191.02090	1.5
191.03581	1.4
193.01369	2.0
199.03940	1.4
201.05515	1.4
202.01279	1.0
202.99846	3.2
203.01982	2.0
204.02966	9.8
204.12576	0.9
208.02481	1.2
214.01399	3.9
219.06522	1.2
226.02658	0.9
227.03510	4.6
230.00813	5.0
239.03389	1.2
243.02975	4.9
244.03638	1.1
245.04526	3.6
254.02084	1.1
255.02930	6.3
256.03467	1.3
259.02426	2.0
266.04578	1.1
270.01547	1.1
270.04266	1.2
271.02463	20.3
272.03088	3.9
273.04001	2.5
285.03970	1.2
286.03348	1.6
287.01865	1.6
294.04102	2.4
296.05533	1.9
298.03778	1.4
299.01849	5.0
300.02731	23.0
301.00214	1.4
301.03525	18.3
302.03873	2.0
310.03812	1.2
312.05295	2.7
313.03430	3.8
316.02112	7.2
317.02985	11.7
322.03619	2.7
330.33539	1.1
339.03754	3.9
339.07291	3.2
340.04584	13.9
341.04959	1.1
341.08719	1.4
342.02374	1.0
350.08640	1.3
356.04208	1.3
357.04886	10.7
358.05692	13.6
368.09836	10.9
368.33414	1.2
394.07797	11.2
447.09335	30.8
448.09882	4.6
461.11310	1.4
462.08243	1.1
463.08856	6.8
486.10410	6.4
502.09622	1.3
503.10168	3.1
504.11505	100.0
505.11801	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.3
69.32292	0.4
69.32703	0.8
74.59799	0.1
79.95606	1.2
83.04881	0.8
91.84768	0.1
95.04896	2.7
96.95891	45.9
97.06476	0.2
98.03607	1.0
109.06483	1.9
111.04410	1.2
113.05961	1.5
118.53554	0.1
119.08479	0.2
122.97466	0.2
123.08032	0.1
124.05175	0.5
135.08078	0.4
137.09604	1.6
138.06779	0.3
138.10014	0.2
139.07555	2.5
145.10130	0.6
153.09143	1.6
155.10686	16.4
156.11037	0.7
171.11821	0.2
187.14882	0.6
199.09676	1.5
203.14328	0.6
205.15906	8.2
206.16266	0.4
223.16942	1.9
237.68910	0.2
255.02927	0.2
267.16010	12.7
268.16489	0.8
271.02448	0.4
300.02740	0.5
303.12738	0.6
329.10666	1.1
347.11682	100.0
348.12024	7.2
381.92612	0.2
396.84174	0.2
443.06787	0.2
522.33240	0.2
609.14709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53371	17.7
73.75340	9.7
78.98521	13.9
79.40804	14.2
79.95602	26.4
80.65714	9.8
80.96387	100.0
92.33290	10.4
94.97927	24.1
103.61947	11.0
117.79594	13.6
125.48341	10.1
134.97496	13.7
148.18024	10.7
164.98602	11.5
176.07407	10.5
225.00647	29.1
249.62045	11.0
387.86084	14.2
405.11813	11.5
547.07520	11.8
710.38568	53.5
940.44092	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	959.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	1.1
69.26353	8.1
83.01264	2.2
87.09170	1.0
95.01234	2.4
95.14066	0.8
96.69823	1.0
96.99194	1.4
106.00485	1.2
106.53196	0.9
107.01260	6.0
109.02814	4.9
109.99980	4.0
111.00756	4.4
121.02816	1.9
121.39241	0.9
123.00790	6.0
124.68746	0.9
125.02309	1.4
133.02849	1.2
135.00764	1.3
136.98656	1.4
137.02365	1.8
137.99518	2.4
139.00290	8.7
140.06117	0.8
141.01808	2.1
141.98907	0.9
143.04958	1.2
147.04485	1.5
148.01604	1.2
149.02336	1.9
149.99522	2.5
151.00287	16.1
152.01022	3.1
153.01822	2.6
153.98915	1.4
154.99759	5.3
159.04359	3.6
161.02341	2.1
163.00301	3.1
164.01105	1.3
164.98224	2.2
165.01962	1.3
165.99014	4.8
166.99826	4.4
168.00421	1.4
169.01334	1.9
173.02432	1.4
175.00386	1.6
175.03969	2.7
177.01889	2.8
177.98969	3.2
178.99785	18.7
180.00348	1.0
181.98465	3.1
186.03236	1.1
186.78551	1.0
187.03978	4.5
188.80505	1.0
189.01839	2.0
190.02705	1.0
191.03406	1.9
192.00528	1.2
193.01344	2.0
194.99356	4.5
199.03897	3.8
201.01833	2.5
202.02390	1.0
203.03404	5.5
204.97742	1.3
206.99347	1.7
213.01758	1.0
214.02611	2.2
215.03416	4.5
217.01305	2.5
219.02969	3.2
227.03409	2.4
229.01396	1.5
230.02138	1.5
231.02968	5.9
232.03700	4.3
233.04460	1.8
242.02170	2.6
243.02957	9.1
244.03581	1.5
245.00851	1.5
245.04573	2.1
247.02382	2.0
255.03049	5.2
258.01709	1.1
259.02475	5.3
260.02951	1.4
261.04010	1.4
270.01443	2.1
270.99734	1.9
271.02487	26.2
272.02863	2.8
286.01147	3.7
287.01999	35.4
288.02710	6.3
289.03558	2.2
297.00241	2.2
299.01910	7.5
300.02744	17.9
301.03494	13.1
302.03745	1.7
303.01437	5.1
304.01935	1.6
314.00720	1.6
315.01483	74.0
316.02176	27.8
317.02887	12.6
318.03464	1.7
323.48764	1.1
331.00830	1.9
332.01700	25.5
333.02451	9.0
353.05219	1.5
355.06766	1.4
394.08325	0.9
395.09970	1.1
451.08676	2.7
463.08856	19.8
464.09766	1.1
477.06735	3.2
478.07336	2.0
479.08310	43.7
480.08508	3.0
494.06799	3.2
495.07767	100.0
496.08194	8.3
715.32623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.5
71.01256	14.9
72.99184	1.0
73.02821	1.8
81.03366	0.9
83.01266	1.8
85.02822	2.7
87.00754	4.3
89.01765	0.6
89.02316	11.4
94.12595	0.5
95.01226	1.2
96.95864	0.5
97.02845	2.0
99.00762	0.7
101.02328	10.5
111.04365	0.6
112.36364	0.5
113.02324	6.8
119.03391	3.3
125.02351	5.3
133.05025	0.8
141.01741	0.8
143.03340	2.5
161.04498	3.6
179.05530	4.4
183.13843	6.5
193.12311	1.3
211.13342	100.0
212.13652	5.6
217.07124	0.9
221.06694	1.2
229.66179	0.6
235.08170	4.2
253.14330	0.5
262.58307	0.5
277.21732	46.2
278.22086	3.6
287.07715	1.8
305.08719	1.7
322.05051	0.5
323.09900	1.2
379.12460	10.5
380.13046	0.9
397.13504	31.8
398.13849	2.2
412.19031	0.5
415.14499	6.1
469.94257	0.6
470.93106	0.6
591.26587	8.1
591.35156	0.9
592.26855	1.5
609.27472	8.5
610.28461	1.6
621.81378	0.5
657.34875	2.0
675.35950	1.9
688.91095	0.6
701.43738	0.6
869.49060	1.2
915.35614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.2
71.01260	18.8
72.99187	1.6
73.02833	3.1
75.00749	1.3
78.95783	2.5
79.95633	0.5
81.03333	0.8
81.48726	0.4
83.01264	2.0
85.02827	4.2
87.00764	4.3
89.02328	14.0
95.01263	1.2
96.95887	5.0
96.96819	2.8
97.02838	3.3
98.19742	0.8
98.72097	0.5
99.00778	1.3
101.01691	1.0
101.02332	13.5
109.02862	0.7
113.02348	6.6
119.03392	3.8
125.02338	6.9
137.08536	0.5
143.03448	2.3
149.04567	0.5
161.04460	3.5
167.14285	0.5
179.05525	4.2
183.13835	7.0
193.12296	2.1
202.71420	0.5
211.13354	100.0
212.13681	5.1
217.07089	1.0
219.05118	0.5
221.06609	1.3
235.08229	5.5
245.06599	0.6
253.09225	1.1
259.08252	1.3
275.20117	0.5
277.21744	59.8
278.22128	4.1
284.01141	0.5
287.07828	1.9
305.08899	2.0
323.09979	1.0
379.12488	13.1
380.12820	1.1
397.13528	43.7
398.13773	3.3
415.14523	8.2
416.14984	0.6
484.99869	0.5
591.26709	8.5
592.27002	1.1
609.27667	4.8
657.35083	2.6
675.36115	4.9
840.60938	0.5
869.49078	1.6
927.55029	0.5
940.79388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53909	50.7
75.44472	32.8
76.99364	34.2
96.95841	45.1
104.79684	36.2
119.53712	40.0
125.02306	67.6
209.11879	53.3
289.07220	41.9
306.07562	100.0
962.40210	62.4
963.41248	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01265	0.7
85.02817	1.7
93.03333	1.1
107.01274	1.4
108.02047	1.2
121.02879	0.7
125.02303	1.3
134.03682	0.6
148.01584	1.2
151.00266	4.5
163.00249	0.7
164.01202	0.5
173.04459	0.6
178.99802	3.6
191.05542	24.2
192.05861	0.8
211.03836	0.6
226.02676	1.1
227.03438	1.5
243.02959	6.8
244.03517	0.7
254.02190	1.6
255.02968	19.5
256.03363	1.3
259.06097	1.0
271.02475	49.4
272.02945	3.5
273.03918	0.6
287.05545	1.8
299.02032	1.7
300.02744	100.0
301.03311	14.7
367.01291	1.2
367.10385	3.0
487.08319	0.5
533.49420	0.5
578.63312	0.5
595.13037	95.0
596.13446	11.4
767.11078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94408	0.2
70.96139	0.3
71.36100	0.3
73.49591	0.3
83.01290	0.3
89.00550	0.3
107.01255	0.7
107.94978	0.3
109.02849	0.6
124.01568	1.0
125.02337	0.3
137.02310	1.1
151.00301	4.5
151.76981	0.3
152.00970	0.7
163.00327	0.8
164.01071	1.2
169.01372	0.4
178.99782	4.4
179.03334	0.3
187.03886	0.3
191.05545	1.9
199.03862	0.4
203.03412	0.8
204.04152	0.5
214.02623	4.1
215.03258	0.4
227.03450	0.6
232.03787	0.6
242.02170	3.7
243.03018	2.1
255.02873	0.5
259.02460	3.8
260.02908	0.4
270.01715	5.5
271.02469	27.1
272.02899	1.8
287.01968	15.1
288.02487	2.2
299.02136	0.3
300.02707	2.3
301.03427	0.6
315.01523	0.6
316.02222	100.0
317.02832	17.5
318.03287	0.8
329.02975	0.5
408.69370	0.3
625.14081	85.3
626.14435	11.7
646.38409	0.3
852.57080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	3.2
69.44872	3.4
71.01252	18.9
72.99165	1.2
73.02820	2.6
75.00759	0.7
78.95766	0.5
79.18613	0.5
81.03313	0.7
83.01262	2.0
84.02041	0.6
85.02336	0.9
85.02824	10.4
87.00751	3.5
89.02316	14.6
89.28784	0.5
91.03905	0.6
95.01286	1.4
97.02840	3.7
97.06478	1.6
98.19807	0.7
99.00764	1.6
101.01698	0.9
101.02328	15.2
111.04369	0.5
113.02332	6.9
119.03418	3.8
119.08580	0.6
125.02332	4.5
125.09615	0.9
127.11165	1.4
130.19397	0.5
131.03435	0.5
137.09593	2.3
138.32655	0.5
139.03873	0.6
141.46925	0.5
143.03419	2.4
145.04980	0.5
155.14305	0.8
161.04474	2.7
165.12706	1.0
171.10179	22.5
172.10577	1.1
175.02531	0.5
177.12706	0.8
179.05522	3.1
183.13768	3.0
185.11734	0.7
193.12239	0.7
197.11765	0.8
201.11238	1.0
211.13344	10.3
212.13826	0.7
217.07097	0.7
221.06583	1.0
221.11774	1.7
229.14397	7.3
235.08186	4.4
239.12863	1.0
253.09314	0.7
255.23264	38.2
256.23605	2.7
287.07507	0.9
291.19620	4.1
292.86609	0.5
305.08783	1.8
305.17709	0.6
309.20734	8.0
310.21194	0.7
323.09583	0.7
327.21756	100.0
328.22067	7.3
351.21603	0.6
379.12552	1.2
397.13480	51.4
398.13919	2.8
415.14566	17.4
492.01968	0.6
565.44702	1.6
653.37726	6.1
654.37970	0.8
707.35059	6.1
708.35907	0.9
725.35553	2.9
726.35547	0.7
742.14838	0.6
963.59509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32742	0.4
82.64766	0.5
85.02787	0.5
89.02277	0.5
142.24864	0.5
173.04486	0.6
230.76942	0.5
289.36731	0.5
290.95370	0.5
299.27881	0.4
363.23358	3.5
377.25000	2.2
379.26425	20.6
380.26935	2.4
385.41504	0.4
393.24490	3.2
409.49353	0.5
423.25403	100.0
424.25711	12.2
481.29611	11.7
482.29886	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41096	0.2
69.39246	1.9
71.01234	0.4
81.02886	0.5
81.03335	5.7
83.04898	14.9
96.95878	1.1
108.04448	0.5
109.02780	0.4
125.07123	0.7
126.05503	0.5
137.02386	0.3
155.10725	0.3
157.13329	0.3
161.02359	0.4
179.03444	0.3
191.03366	0.3
191.05496	0.5
207.14990	1.0
224.17670	2.7
225.16037	10.1
271.02551	0.3
300.02609	0.3
309.21725	1.0
324.26501	0.3
333.22928	0.7
336.56161	0.3
341.29193	0.7
353.08759	0.3
367.27078	1.0
433.31808	1.5
450.34366	1.1
451.32913	7.5
452.33142	1.0
550.43524	0.6
567.45697	0.7
659.48645	0.3
677.49585	1.1
678.49664	0.4
776.60272	0.5
885.65546	0.6
903.66510	100.0
904.66772	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48082	0.5
69.03320	2.0
71.01260	23.4
71.11990	0.7
72.99178	2.4
73.02826	2.6
75.82893	0.5
81.03335	1.4
83.01270	2.0
83.04915	0.7
84.02055	0.5
85.02822	5.6
87.00760	4.5
87.48251	0.6
89.02324	17.2
95.01278	1.9
97.02841	3.1
99.00768	1.9
101.01691	1.1
101.02326	15.5
103.07024	0.5
109.06493	0.9
111.08049	10.9
113.02335	8.9
115.03859	0.7
116.92741	0.8
119.03396	5.3
123.04430	0.7
125.02345	7.3
127.07513	1.1
131.03334	0.7
143.03391	3.0
151.11209	1.2
153.12773	1.1
161.04471	4.3
167.03415	0.6
169.12260	5.2
179.05540	5.4
179.10683	0.7
181.12230	1.3
183.13770	0.8
197.11784	54.8
198.12115	2.2
199.13364	2.6
209.15379	1.3
209.38773	0.5
211.13373	7.2
221.06570	2.5
221.11740	1.1
225.14900	1.5
227.12912	1.2
229.44406	0.8
233.15479	0.7
235.08188	6.3
251.16557	1.1
253.09143	1.1
263.07675	1.1
263.16846	0.5
263.20090	3.0
265.18051	1.8
273.18649	1.1
277.21735	53.1
278.22180	3.5
287.07706	2.3
291.19711	19.3
292.19916	1.5
305.08832	2.7
309.20734	100.0
310.21078	7.8
323.09860	1.2
379.12311	3.9
397.13544	50.6
398.13922	4.0
415.14615	19.4
415.18884	0.4
416.15091	1.1
467.31985	0.6
569.42200	0.6
675.35974	1.6
689.33923	1.8
690.34021	0.8
707.34851	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	967.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	0.5
68.99686	0.5
69.03326	1.6
69.64983	0.5
71.01257	24.0
72.99166	2.4
73.02822	3.9
81.03342	1.0
83.01281	2.3
83.04905	1.2
85.02825	5.6
85.04878	0.5
87.00754	6.2
89.02323	18.7
91.03898	0.9
93.03420	0.5
95.01250	1.9
97.02840	3.1
98.19798	0.8
98.20493	1.9
99.00768	2.0
100.94180	0.5
101.02328	17.2
102.02692	0.6
109.02917	0.7
109.06484	0.7
111.00710	0.5
111.04419	0.8
111.08043	9.9
113.02338	11.1
116.92706	1.3
119.03386	5.2
125.02341	7.5
127.07549	1.2
131.03377	1.4
133.04956	0.8
139.03867	0.6
141.01851	0.6
143.03392	3.0
149.04413	0.7
151.11201	1.1
161.04483	3.8
169.12299	4.9
171.10146	1.5
179.05548	4.5
181.12247	0.9
183.13844	0.9
185.04451	0.7
193.12198	0.8
197.11772	49.2
198.12108	2.0
199.13269	3.2
203.05649	0.7
211.13333	8.1
217.07172	0.7
221.06577	1.8
221.11850	3.5
227.13002	0.9
229.17229	0.5
235.08192	7.6
239.12875	3.3
253.09253	1.5
255.23314	3.6
257.42487	0.6
263.07782	0.9
263.20105	3.5
265.17981	1.3
273.18756	1.0
277.21729	55.1
278.22021	4.2
287.07721	2.1
291.19678	17.9
291.23083	1.0
292.20059	1.3
305.08759	2.5
309.20715	100.0
310.21072	6.7
323.09845	1.0
379.12408	3.7
381.71127	0.5
393.74222	0.5
397.13510	62.9
398.13834	4.0
415.14572	17.9
415.19095	0.4
416.14893	1.4
637.27014	0.5
675.35913	1.8
689.34149	1.6
707.34631	1.4
875.50085	2.1
891.38184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56487	1.9
78.02934	0.7
107.01264	1.8
109.02820	1.5
121.02823	2.4
123.00670	0.7
124.01522	0.6
137.02339	1.1
151.00281	8.8
163.00250	2.1
178.99829	4.1
179.03424	0.8
183.04543	0.7
199.04007	1.2
211.03964	1.1
226.02574	0.8
227.03464	2.0
242.80859	0.7
243.02954	4.6
245.04500	1.5
254.02313	0.7
255.02980	13.1
256.03342	0.8
271.02484	25.8
271.05511	1.3
272.02924	1.4
273.04126	1.0
283.02496	1.4
299.02036	1.5
300.02734	54.1
301.03473	38.9
302.03992	2.3
316.02112	1.0
317.03082	0.7
326.02994	0.7
447.09308	100.0
448.09625	9.5
463.08704	1.4
505.11127	0.6
521.16663	1.5
522.17395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02850	10.2
70.45766	1.6
71.01253	3.0
72.04414	10.3
72.99186	1.6
74.02348	30.3
75.00737	2.3
80.02530	1.0
81.03345	1.8
81.04440	0.7
82.02876	0.8
83.01272	0.7
83.02363	0.9
83.04887	3.9
84.00758	1.0
84.02010	0.9
84.04427	2.6
85.02816	1.8
86.02356	1.9
87.00763	1.0
88.03920	1.2
88.98667	1.4
89.02312	2.0
96.99809	5.2
97.03954	5.9
98.00565	1.0
98.02333	1.6
98.06004	1.3
99.05520	15.7
101.02331	2.6
105.01823	2.7
110.00598	4.9
110.02337	1.0
111.01395	1.4
112.03924	2.1
113.02341	1.1
115.03912	0.6
119.03423	0.6
123.01359	3.6
123.05592	4.0
124.02209	1.5
125.03604	4.8
135.91765	0.6
136.02180	1.6
137.02983	0.9
137.07100	0.7
138.03729	1.1
141.06601	47.6
142.06998	1.3
143.03482	1.0
143.04527	10.1
149.07118	0.8
150.03749	1.2
161.04437	0.8
163.11212	3.5
165.02386	1.0
165.12794	2.1
167.04610	1.2
179.04033	0.7
185.05624	13.1
193.06090	1.1
194.10040	3.5
196.11554	1.4
206.11821	0.8
209.11778	45.1
210.12051	2.6
211.07384	0.9
221.12421	1.0
222.09538	9.2
222.13098	1.5
227.12868	2.4
227.18871	0.7
234.27951	0.6
236.11122	1.4
239.09831	0.9
240.10608	17.8
248.11127	2.3
249.14247	1.5
251.12297	1.5
253.09152	1.7
254.12108	1.1
261.14389	1.0
264.14264	3.0
266.12177	10.2
267.12628	0.8
290.12158	2.8
292.13745	1.4
308.13239	25.4
309.13602	1.9
324.15829	0.8
326.14297	1.8
333.16507	1.0
335.17908	0.8
374.20566	0.8
379.16980	0.7
390.18872	1.2
408.19565	3.6
494.69400	0.6
898.39423	3.0
899.40198	1.3
924.38574	4.2
925.39270	0.8
942.39124	73.8
943.39240	18.3
956.41718	3.2
957.39691	0.9
974.41724	100.0
975.41998	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50327	0.3
71.01259	0.5
78.95771	0.3
86.62482	0.2
87.00751	2.1
88.00277	2.4
88.98680	100.0
89.02319	4.1
89.99007	0.9
98.19913	1.2
98.20587	0.5
101.02312	0.5
104.44156	0.2
122.87497	0.2
130.00034	0.3
179.05666	0.2
189.09193	0.2
209.11760	3.0
210.12196	0.4
277.21796	1.3
278.21960	0.4
293.99863	0.3
379.12570	0.3
397.13464	1.8
758.18591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78198	1.2
69.78608	0.8
79.95626	0.5
83.01251	0.8
96.95899	1.4
107.01266	2.1
108.02061	1.1
109.02843	1.1
115.27444	0.3
121.02843	0.9
124.01572	0.4
135.00768	0.7
135.04398	0.5
148.01541	1.1
151.00284	8.3
159.04402	0.5
161.02423	0.4
163.00320	2.1
169.01395	0.5
178.99799	3.7
180.00189	0.6
183.04509	0.5
187.04010	0.6
191.05507	1.4
199.03964	0.8
203.03481	0.5
211.03975	0.5
215.03450	0.4
226.02644	0.9
227.03474	1.7
229.05057	0.5
243.02968	8.0
244.03442	0.8
245.04561	1.0
254.02145	2.0
255.02980	24.3
256.03278	1.8
271.02484	47.8
272.02899	4.8
273.03604	0.7
283.02469	1.3
299.02023	1.5
300.02753	90.9
301.03448	35.5
302.03821	3.1
303.04251	0.4
353.08737	0.5
433.07755	21.1
434.08044	5.6
435.08356	1.6
463.08844	3.1
464.09738	0.4
505.09897	100.0
506.10239	13.3
555.56525	0.4
685.84705	0.4
833.85931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.7
69.44418	0.9
69.44833	1.8
71.01256	16.0
72.99177	1.5
73.02808	2.6
74.20567	0.4
75.00729	0.4
78.95766	0.6
81.03323	0.5
83.01267	2.0
83.04871	0.5
85.02824	8.9
87.00750	3.3
89.02321	13.7
90.02700	0.4
95.01256	1.2
95.04888	0.4
96.95898	0.6
97.02825	3.4
97.06449	1.7
98.42953	0.3
98.95450	0.4
99.00742	1.2
101.02329	12.2
101.10824	0.4
104.01459	0.4
109.02808	0.5
109.06475	0.4
111.04411	0.4
113.02328	6.3
116.92731	0.6
119.03389	3.4
125.02338	5.1
125.09626	0.9
127.11171	1.3
133.04851	0.4
137.09576	1.8
142.11948	0.3
142.66663	0.4
143.03403	1.8
155.10669	0.8
161.04442	2.5
165.12825	0.5
167.14258	0.5
171.10187	18.8
172.10509	0.8
179.05479	3.0
183.13869	2.6
185.11740	0.4
201.11235	1.1
203.10754	0.5
209.11754	1.4
211.13335	9.9
212.13655	0.4
217.07156	0.5
221.06601	0.7
221.11769	1.8
227.12735	0.6
228.12987	0.4
229.14388	6.7
230.14774	0.5
235.08177	4.8
239.12779	1.3
245.04213	1.0
253.09216	0.9
253.21635	0.4
263.07617	0.7
277.21719	29.4
278.22049	2.3
287.07687	1.0
291.19669	2.7
291.22565	0.4
292.19995	0.8
305.08835	1.9
306.37024	0.4
309.20737	8.2
310.21152	1.0
313.03479	0.6
323.09695	0.6
327.21765	100.0
328.22061	7.0
343.08286	1.2
348.65784	0.4
351.21484	0.4
379.12473	0.7
397.13498	49.5
398.13885	3.6
415.14587	16.5
416.14853	0.9
481.25677	1.0
587.43243	1.7
592.21375	0.4
634.57483	0.5
675.35999	2.3
707.35040	4.6
708.35388	0.7
725.36365	2.7
902.15826	0.4
985.58539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02858	6.4
71.01243	3.1
72.04407	4.9
74.02348	16.9
78.61950	0.9
83.93797	0.9
84.04406	1.3
86.02343	1.4
86.42637	1.0
87.00737	2.1
88.98667	10.8
89.02312	1.4
96.99782	2.4
97.03974	5.3
98.02355	1.0
99.05513	8.2
101.02314	1.5
105.01810	1.5
105.59862	1.0
110.00602	2.0
112.03926	1.2
115.00249	1.5
116.92729	1.1
123.01379	2.6
123.05529	1.9
125.03537	1.6
141.06604	25.5
143.04576	4.4
165.02452	1.1
175.02466	5.2
180.89478	1.0
185.05621	6.3
188.14386	1.0
194.10040	2.5
222.09482	3.5
240.10570	4.0
264.14230	1.3
266.12097	4.4
277.21729	19.7
278.21909	2.1
290.12170	2.0
308.13315	7.3
920.78424	1.1
948.49005	4.9
949.48035	1.4
974.46820	2.8
992.47925	100.0
993.48431	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56378	1.0
70.02848	3.7
71.01253	2.3
71.54121	0.9
71.54517	1.0
72.00780	0.9
72.04413	5.2
72.62833	0.9
74.02341	14.8
75.96315	0.8
83.01242	1.0
84.04440	1.3
86.02333	1.0
87.00772	1.3
88.98678	8.6
93.03334	0.9
96.99802	2.8
97.03947	3.0
98.02357	1.1
98.05980	1.2
99.05527	9.7
101.02322	1.7
110.00591	2.9
112.03942	1.6
116.92731	2.4
118.05216	1.1
123.01360	2.7
123.05526	1.8
125.03506	1.8
136.02161	1.8
141.06596	23.7
143.04559	5.2
173.04532	0.9
175.02408	3.1
185.05643	5.2
194.10014	2.4
222.09563	5.5
222.13094	1.6
240.10580	8.6
254.12291	1.2
264.14169	1.5
266.12112	6.7
277.21722	10.2
290.12308	1.0
308.13251	13.1
309.13513	1.7
333.16461	1.2
335.17731	1.0
408.19467	2.2
459.47574	0.9
498.00003	1.2
527.00775	0.9
771.24689	1.1
948.47974	5.5
974.46661	3.9
992.47949	100.0
993.48291	24.0
997.46387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09640	46.6
78.00677	49.4
92.15654	54.7
93.74857	55.8
98.20602	100.0
144.47127	45.5
163.51913	50.8
225.54419	53.1
255.29004	57.3
359.85904	68.9
428.08868	48.7
538.12750	56.2
885.58716	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66792	0.3
71.01256	12.3
71.20531	0.4
72.99175	1.0
73.02817	1.8
75.00761	0.4
77.64729	0.4
78.95787	1.7
81.03335	0.8
83.01253	0.8
83.04905	0.8
84.02037	2.3
85.02822	2.7
87.00755	2.3
88.98689	0.4
89.02321	9.8
93.03310	1.4
95.01300	0.9
96.95895	4.1
96.96841	1.4
97.02831	2.3
97.06467	5.9
99.00774	0.4
99.04381	0.8
101.02324	8.9
111.04413	0.9
113.02322	4.4
119.03369	2.0
125.02351	3.3
125.09596	1.0
137.02284	0.5
137.09625	0.9
143.03392	1.4
161.04474	2.5
167.03453	0.4
171.10184	7.0
173.04434	1.0
175.11183	0.5
179.05560	3.0
183.13843	2.4
185.11653	0.5
193.12270	7.2
194.12573	0.4
211.13319	4.2
221.06607	1.2
221.11662	0.9
225.14922	12.7
226.15318	0.9
235.08237	3.4
243.15964	5.2
253.09283	0.5
253.14474	0.8
277.21722	26.4
278.22098	2.2
287.07687	1.2
291.19629	1.5
305.08856	1.7
305.21124	0.6
323.09814	0.7
323.22342	1.3
341.23309	100.0
342.23651	8.7
365.23224	0.7
379.12408	1.4
397.13504	27.3
398.13760	1.8
415.14529	10.5
416.14749	0.5
468.64130	0.4
573.49194	0.4
601.44659	2.9
675.35938	1.3
681.25269	0.4
721.36469	2.7
722.36719	0.5
739.37891	2.2
740.38062	0.6
END